smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOc1ccc(N2C(=O)C[C@@H](NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000019772004 193918197 /nfs/dbraw/zinc/91/81/97/193918197.db2.gz AUQXLBMZOQJORG-LJQANCHMSA-N 0 0 431.514 1.935 50 0 IDAARN O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)N1CCN(c2ccccc2)CC1 ZINC000009517778 132232561 /nfs/dbraw/zinc/23/25/61/132232561.db2.gz QHHWXBGDHMQEAV-UHFFFAOYSA-N 0 0 449.902 1.979 50 0 IDAARN CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000009570137 132235679 /nfs/dbraw/zinc/23/56/79/132235679.db2.gz SODPUMYNIMMBIP-UHFFFAOYSA-N 0 0 447.557 1.976 50 0 IDAARN COc1ccc(CCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009570259 132235798 /nfs/dbraw/zinc/23/57/98/132235798.db2.gz ZIDSGCUHBYOTLE-UHFFFAOYSA-N 0 0 431.558 1.896 50 0 IDAARN O=S(=O)(CCNS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000009570269 132235847 /nfs/dbraw/zinc/23/58/47/132235847.db2.gz ZJCCZHRYGCWAEV-UHFFFAOYSA-N 0 0 445.513 1.395 50 0 IDAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)N1CCCc2ccccc21 ZINC000009963678 132242799 /nfs/dbraw/zinc/24/27/99/132242799.db2.gz QHOIZOZGPJTZTI-UHFFFAOYSA-N 0 0 427.482 1.638 50 0 IDAARN COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O ZINC000010102644 132242871 /nfs/dbraw/zinc/24/28/71/132242871.db2.gz HONPENASQTYVCP-ZDUSSCGKSA-N 0 0 429.477 1.348 50 0 IDAARN COc1cc(OC)cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000010188090 132243289 /nfs/dbraw/zinc/24/32/89/132243289.db2.gz DZQASMCHQFJERA-UHFFFAOYSA-N 0 0 433.530 1.586 50 0 IDAARN COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000010188089 132243311 /nfs/dbraw/zinc/24/33/11/132243311.db2.gz FRSJQJYSNDOAOS-UHFFFAOYSA-N 0 0 433.530 1.586 50 0 IDAARN O=C(CSc1nc(=O)n(CCO)c2c1CCCC2)N1CCN(c2ccccc2)CC1 ZINC000010256687 132244134 /nfs/dbraw/zinc/24/41/34/132244134.db2.gz QWGSSIVTXMGZMK-UHFFFAOYSA-N 0 0 428.558 1.555 50 0 IDAARN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2cc(CC(=O)OC)ccc2O1 ZINC000001399661 132244853 /nfs/dbraw/zinc/24/48/53/132244853.db2.gz RCKIBSYZUDIORJ-LJQANCHMSA-N 0 0 449.481 1.930 50 0 IDAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000003417446 132265250 /nfs/dbraw/zinc/26/52/50/132265250.db2.gz SUTXXWRHIHHUOQ-ZHACJKMWSA-N 0 0 443.481 1.414 50 0 IDAARN COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O ZINC000004766415 132273785 /nfs/dbraw/zinc/27/37/85/132273785.db2.gz DLKSMGMHVYYKHY-UHFFFAOYSA-N 0 0 442.903 1.952 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2N2CCN(c3cccc(OC)c3)CC2)C1 ZINC000004910973 132274605 /nfs/dbraw/zinc/27/46/05/132274605.db2.gz KWXXDWJXELTSNP-MRXNPFEDSA-N 0 0 427.501 1.397 50 0 IDAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c[nH]cn4)C3)C[C@H]2C)c1 ZINC000006494091 132277618 /nfs/dbraw/zinc/27/76/18/132277618.db2.gz MJYYBWMDSKMRBJ-QZTJIDSGSA-N 0 0 431.562 1.856 50 0 IDAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc4[nH]c(=O)c(=O)[nH]c4cc3C)CC2)c1C ZINC000008591178 132283816 /nfs/dbraw/zinc/28/38/16/132283816.db2.gz ZFWDUWWAVNLWKA-UHFFFAOYSA-N 0 0 428.514 1.653 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCc1ccccc1)C(=O)CO2 ZINC000008598411 132285749 /nfs/dbraw/zinc/28/57/49/132285749.db2.gz FTPSCMQIGPFEMA-UHFFFAOYSA-N 0 0 445.541 1.801 50 0 IDAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)CC2)c1 ZINC000008608456 132287616 /nfs/dbraw/zinc/28/76/16/132287616.db2.gz IOQSGJUHNMFQME-UHFFFAOYSA-N 0 0 447.561 1.178 50 0 IDAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 ZINC000008608761 132287821 /nfs/dbraw/zinc/28/78/21/132287821.db2.gz ZGJRDCKLQRZTHG-UHFFFAOYSA-N 0 0 430.548 1.580 50 0 IDAARN CN(CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 ZINC000008825440 132295294 /nfs/dbraw/zinc/29/52/94/132295294.db2.gz XXXXGPOTUZJQDI-HXUWFJFHSA-N 0 0 439.493 1.740 50 0 IDAARN CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 ZINC000008861008 132296598 /nfs/dbraw/zinc/29/65/98/132296598.db2.gz ILYDJJZLOIPRKB-RHSMWYFYSA-N 0 0 449.554 1.689 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(c3ccccn3)CC2)C1=O ZINC000008982808 132299540 /nfs/dbraw/zinc/29/95/40/132299540.db2.gz LUEHVFCBHVQXAT-QHCPKHFHSA-N 0 0 436.516 1.178 50 0 IDAARN C[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000009116809 132303985 /nfs/dbraw/zinc/30/39/85/132303985.db2.gz NAONFEYWUWHKCD-NVXWUHKLSA-N 0 0 435.546 1.891 50 0 IDAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21)NCCc1ccccc1 ZINC000009116799 132304011 /nfs/dbraw/zinc/30/40/11/132304011.db2.gz VOKADVJQQKBZHQ-UHFFFAOYSA-N 0 0 443.525 1.555 50 0 IDAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccccn1 ZINC000009118693 132304405 /nfs/dbraw/zinc/30/44/05/132304405.db2.gz CANDCXGCJSNYET-UHFFFAOYSA-N 0 0 444.513 1.298 50 0 IDAARN NC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)CC1 ZINC000009152477 132306813 /nfs/dbraw/zinc/30/68/13/132306813.db2.gz RVFJDZMGSICQGO-UHFFFAOYSA-N 0 0 436.497 1.812 50 0 IDAARN CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000009220701 132309452 /nfs/dbraw/zinc/30/94/52/132309452.db2.gz YYPBSHLJQROJFG-HXUWFJFHSA-N 0 0 442.541 1.804 50 0 IDAARN CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000009223044 132309674 /nfs/dbraw/zinc/30/96/74/132309674.db2.gz CBVNKAMBPZPVDW-QGZVFWFLSA-N 0 0 437.566 1.088 50 0 IDAARN C[C@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C)N1C(=O)c2ccccc2C1=O ZINC000009284594 132312466 /nfs/dbraw/zinc/31/24/66/132312466.db2.gz WDPBXTHMMATINZ-CYBMUJFWSA-N 0 0 435.436 1.978 50 0 IDAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C=C([O-])NC(N2CCN(c3ccccc3)CC2)=[NH+]1 ZINC000009355698 132314371 /nfs/dbraw/zinc/31/43/71/132314371.db2.gz KZRULPSYDLOSBS-GOSISDBHSA-N 0 0 435.484 1.463 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@@H](NC(=O)N2CC(=O)Nc3ccccc32)C(C)C)CC1 ZINC000009418977 132316389 /nfs/dbraw/zinc/31/63/89/132316389.db2.gz HNRJWJWDXRTZFI-IBGZPJMESA-N 0 0 430.505 1.981 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(=O)N1CCOCC1 ZINC000009426091 132316671 /nfs/dbraw/zinc/31/66/71/132316671.db2.gz JOHJZQIVBHVTGU-UHFFFAOYSA-N 0 0 445.541 1.679 50 0 IDAARN C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000009429112 132316782 /nfs/dbraw/zinc/31/67/82/132316782.db2.gz JDBKDWQSEAARNV-QFIPXVFZSA-N 0 0 434.456 1.339 50 0 IDAARN COc1cc(NC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn32)cc(OC)c1 ZINC000009431022 132317180 /nfs/dbraw/zinc/31/71/80/132317180.db2.gz HHAVQQRQTWBDMX-UHFFFAOYSA-N 0 0 425.493 1.465 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC(=O)Nc4ccccc43)C2=O)cc1OC ZINC000009454833 132318081 /nfs/dbraw/zinc/31/80/81/132318081.db2.gz DUOQHURXDZMZCJ-JOCHJYFZSA-N 0 0 438.440 1.456 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000009549387 132321354 /nfs/dbraw/zinc/32/13/54/132321354.db2.gz YWJMZDMABJFYKY-UHFFFAOYSA-N 0 0 446.529 1.142 50 0 IDAARN Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c[nH]cn4)CC3)C[C@@H]2C)cc1 ZINC000009679813 132325598 /nfs/dbraw/zinc/32/55/98/132325598.db2.gz BAISCDZJAXCWGV-KRWDZBQOSA-N 0 0 431.562 1.856 50 0 IDAARN C[C@@H]1Cn2c3c(nc2N(c2ccc(Br)cc2)C1)n(C)c(=O)n(CCCO)c3=O ZINC000009713466 132327093 /nfs/dbraw/zinc/32/70/93/132327093.db2.gz ODTMKIXOYXVXHW-LBPRGKRZSA-N 0 0 448.321 1.829 50 0 IDAARN COc1ccc(CCNC(=O)CCc2nnc3ccc(N4CCOCC4)nn32)c(OC)c1 ZINC000009834190 132329551 /nfs/dbraw/zinc/32/95/51/132329551.db2.gz MJQWNLPNWSIQNJ-UHFFFAOYSA-N 0 0 440.504 1.270 50 0 IDAARN O=C(CCn1c(=O)oc2ccccc21)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009862852 132330371 /nfs/dbraw/zinc/33/03/71/132330371.db2.gz WUWGDAQVJBPFHI-HXUWFJFHSA-N 0 0 437.452 1.638 50 0 IDAARN O=C(NCCn1ncc2c1ncnc2N1CCN(c2ncccn2)CC1)c1cccs1 ZINC000011666027 132338408 /nfs/dbraw/zinc/33/84/08/132338408.db2.gz LUMVELFRYUVJJZ-UHFFFAOYSA-N 0 0 435.517 1.434 50 0 IDAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000011796038 132340167 /nfs/dbraw/zinc/34/01/67/132340167.db2.gz MECRJZFCGNFWDT-UHFFFAOYSA-N 0 0 431.514 1.687 50 0 IDAARN Cc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000012950060 132340952 /nfs/dbraw/zinc/34/09/52/132340952.db2.gz RFFWGJOZMDORAV-UHFFFAOYSA-N 0 0 447.542 1.097 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1C ZINC000013009317 132342314 /nfs/dbraw/zinc/34/23/14/132342314.db2.gz RSDAGQCLJKWPEF-UHFFFAOYSA-N 0 0 428.518 1.799 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 ZINC000013009323 132342358 /nfs/dbraw/zinc/34/23/58/132342358.db2.gz UHSCPERTJIXHKB-UHFFFAOYSA-N 0 0 428.518 1.799 50 0 IDAARN COC(=O)c1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036844 132342656 /nfs/dbraw/zinc/34/26/56/132342656.db2.gz GNYQLDYCQXKQSL-UHFFFAOYSA-N 0 0 443.467 1.960 50 0 IDAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013040377 132343252 /nfs/dbraw/zinc/34/32/52/132343252.db2.gz PZEDKCIIJXGGEZ-UHFFFAOYSA-N 0 0 444.557 1.937 50 0 IDAARN Cc1ccccc1N1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 ZINC000013057457 132343698 /nfs/dbraw/zinc/34/36/98/132343698.db2.gz LOZDUTOILKUBNE-UHFFFAOYSA-N 0 0 447.539 1.491 50 0 IDAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000013120621 132345419 /nfs/dbraw/zinc/34/54/19/132345419.db2.gz YZTFFBVSJPSIFD-XMMPIXPASA-N 0 0 444.495 1.746 50 0 IDAARN Cn1nnc2c1ncnc2N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013534457 132349377 /nfs/dbraw/zinc/34/93/77/132349377.db2.gz RKHIPCLMKLSUTG-UHFFFAOYSA-N 0 0 427.412 1.288 50 0 IDAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ncccn2)CC1 ZINC000013655326 132352513 /nfs/dbraw/zinc/35/25/13/132352513.db2.gz QOTRULKLNWKULQ-MRXNPFEDSA-N 0 0 449.964 1.880 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N3CCN(c4ccccc4)CC3)NC2=O)cc1 ZINC000013690717 132353556 /nfs/dbraw/zinc/35/35/56/132353556.db2.gz WVCOKUAKRWMFEQ-FQEVSTJZSA-N 0 0 449.511 1.869 50 0 IDAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000013701009 132353820 /nfs/dbraw/zinc/35/38/20/132353820.db2.gz KULQEKGJMYNGFE-CQSZACIVSA-N 0 0 436.472 1.847 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1F ZINC000013848527 132355237 /nfs/dbraw/zinc/35/52/37/132355237.db2.gz HHAKOAXUUYITJZ-UHFFFAOYSA-N 0 0 432.481 1.660 50 0 IDAARN CS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 ZINC000016964615 132357165 /nfs/dbraw/zinc/35/71/65/132357165.db2.gz LOAXKKHALVCMJI-IBGZPJMESA-N 0 0 430.482 1.357 50 0 IDAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCN([C@@H](C(N)=O)c3ccccc3)CC1)OCO2 ZINC000022911884 518292894 /nfs/dbraw/zinc/29/28/94/518292894.db2.gz PDJQOJIRYHJICT-JOCHJYFZSA-N 0 0 438.484 1.401 50 0 IDAARN CC(=O)c1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020532524 518423041 /nfs/dbraw/zinc/42/30/41/518423041.db2.gz WDGOZVYWCMDQLL-OAQYLSRUSA-N 0 0 435.546 1.705 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)c1 ZINC000012696471 518459091 /nfs/dbraw/zinc/45/90/91/518459091.db2.gz SNITXHPQRITSMW-UHFFFAOYSA-N 0 0 439.497 1.617 50 0 IDAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000022804886 518727429 /nfs/dbraw/zinc/72/74/29/518727429.db2.gz RLFUEEJITOTHLV-UHFFFAOYSA-N 0 0 429.565 1.674 50 0 IDAARN CC(C)C[C@H](NC(N)=O)C(=O)OCC(=O)Nc1ccc(I)cc1 ZINC000012555696 519395084 /nfs/dbraw/zinc/39/50/84/519395084.db2.gz WCIOPRGJLDRDQR-LBPRGKRZSA-N 0 0 433.246 1.856 50 0 IDAARN CC(=O)N/C(=C/c1ccccc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1 ZINC000012137556 519481347 /nfs/dbraw/zinc/48/13/47/519481347.db2.gz BNSLAKNBNVDONC-JCZXDDDQSA-N 0 0 435.480 1.624 50 0 IDAARN CC(C)C(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000021682558 519518868 /nfs/dbraw/zinc/51/88/68/519518868.db2.gz OXNXYEZZYHNINF-UHFFFAOYSA-N 0 0 447.513 1.761 50 0 IDAARN CC(C)CCN1C(=O)c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O ZINC000012806557 519653172 /nfs/dbraw/zinc/65/31/72/519653172.db2.gz KMEFNUNZJIAZIL-UHFFFAOYSA-N 0 0 443.525 1.949 50 0 IDAARN CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCCc3cccs3)cc2C(=O)N1C ZINC000021875875 519659738 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IDAARN CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000035992922 521739582 /nfs/dbraw/zinc/73/95/82/521739582.db2.gz ZGCMILNDIHTODP-FQEVSTJZSA-N 0 0 443.548 1.937 50 0 IDAARN CCNC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000020758586 521747316 /nfs/dbraw/zinc/74/73/16/521747316.db2.gz SGJMANOHDSNZJZ-SFHVURJKSA-N 0 0 436.472 1.727 50 0 biogenic IDAARN COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1C ZINC000022066738 521750912 /nfs/dbraw/zinc/75/09/12/521750912.db2.gz WNKDDHCPPRRPCN-INIZCTEOSA-N 0 0 446.481 1.919 50 0 IDAARN CN(C)CCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000020614679 521775584 /nfs/dbraw/zinc/77/55/84/521775584.db2.gz MHANYSSOWPLQDM-MRXNPFEDSA-N 0 0 427.523 1.196 50 0 IDAARN COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000012099641 521777199 /nfs/dbraw/zinc/77/71/99/521777199.db2.gz MMJPGBIOUYWYON-KRWDZBQOSA-N 0 0 446.525 1.882 50 0 IDAARN CCSc1ncc2c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)cnc2n1 ZINC000021882940 521787481 /nfs/dbraw/zinc/78/74/81/521787481.db2.gz DBRLDKDXFBUZHD-UHFFFAOYSA-N 0 0 428.493 1.786 50 0 IDAARN CCSc1nnc(NC(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)s1 ZINC000020994614 521794296 /nfs/dbraw/zinc/79/42/96/521794296.db2.gz SDTRXHIUVONJHM-UHFFFAOYSA-N 0 0 430.581 1.906 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1F)c(=O)n2C ZINC000012427949 521830801 /nfs/dbraw/zinc/83/08/01/521830801.db2.gz VFRPMDFECPVFJB-UHFFFAOYSA-N 0 0 426.404 1.537 50 0 IDAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnnn2C2CC2)CC1 ZINC000035380197 521869265 /nfs/dbraw/zinc/86/92/65/521869265.db2.gz OYHBWKXTRBSLPR-UHFFFAOYSA-N 0 0 429.550 1.445 50 0 IDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N(C)C)cc1)N(C)CC3)OCO2 ZINC000020758552 521889686 /nfs/dbraw/zinc/88/96/86/521889686.db2.gz SFOLWLDSCPEKNI-GOSISDBHSA-N 0 0 436.472 1.679 50 0 biogenic IDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNS(=O)(=O)c2ccccc2)c1 ZINC000012932978 521984047 /nfs/dbraw/zinc/98/40/47/521984047.db2.gz AHPYGQWCJJVMCA-UHFFFAOYSA-N 0 0 445.950 1.299 50 0 IDAARN COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 ZINC000012924188 521991018 /nfs/dbraw/zinc/99/10/18/521991018.db2.gz KPMKIRUJDCHDEL-UHFFFAOYSA-N 0 0 436.490 1.023 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000012582247 521998842 /nfs/dbraw/zinc/99/88/42/521998842.db2.gz TUDSQVSFYXACCF-VQHVLOKHSA-N 0 0 432.454 1.861 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CCN(Cc1ccsc1)CC2 ZINC000020912158 522017873 /nfs/dbraw/zinc/01/78/73/522017873.db2.gz NVIYGNGZTDCXNY-UHFFFAOYSA-N 0 0 441.557 1.993 50 0 IDAARN COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(CCO)CC2)c1=O ZINC000022697652 522061604 /nfs/dbraw/zinc/06/16/04/522061604.db2.gz KSCMAOPJRZPAKD-OAQYLSRUSA-N 0 0 435.952 1.861 50 0 IDAARN COCCn1c(CN2CCN(c3cnccn3)CC2)cnc1S(=O)(=O)CC(C)(C)C ZINC000023338245 522067163 /nfs/dbraw/zinc/06/71/63/522067163.db2.gz GQWHNNMKKOQZQV-UHFFFAOYSA-N 0 0 436.582 1.462 50 0 IDAARN COCCn1c(CN2CCC[C@H](CNC(C)=O)C2)cnc1S(=O)(=O)CC(C)(C)C ZINC000015079565 522068741 /nfs/dbraw/zinc/06/87/41/522068741.db2.gz AOFFILIQMWTUHX-QGZVFWFLSA-N 0 0 428.599 1.697 50 0 IDAARN COC(=O)c1ccc2c(c1)-n1nnnc1C1(CCN(C(=O)OC(C)(C)C)CC1)NC2=O ZINC000035615793 522178235 /nfs/dbraw/zinc/17/82/35/522178235.db2.gz LHGVAXXJZLZDRH-UHFFFAOYSA-N 0 0 428.449 1.419 50 0 IDAARN COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000012030707 522235958 /nfs/dbraw/zinc/23/59/58/522235958.db2.gz KQHPZPKDVCSJSF-QGZVFWFLSA-N 0 0 437.495 1.686 50 0 IDAARN CN(C)c1nc2ncn3c(=O)n(CC(=O)NCCc4ccc(Cl)cc4)nc3c2s1 ZINC000033309250 522337116 /nfs/dbraw/zinc/33/71/16/522337116.db2.gz FZXWKLAJHXIQDG-UHFFFAOYSA-N 0 0 431.909 1.579 50 0 IDAARN CN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013126485 522425738 /nfs/dbraw/zinc/42/57/38/522425738.db2.gz FKEITBJXMHXUPD-MRXNPFEDSA-N 0 0 432.546 1.313 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000012631674 522506386 /nfs/dbraw/zinc/50/63/86/522506386.db2.gz SWSHOUJNJUSDNU-GOSISDBHSA-N 0 0 426.448 1.776 50 0 IDAARN COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc(OC)c1OC ZINC000015674821 522720230 /nfs/dbraw/zinc/72/02/30/522720230.db2.gz JYUQSNHVTHXUTJ-UHFFFAOYSA-N 0 0 439.490 1.324 50 0 IDAARN COc1cc(OC)cc(-c2noc(CCn3c(=O)[nH]c4cc5c(cc4c3=O)OCO5)n2)c1 ZINC000021874003 522842447 /nfs/dbraw/zinc/84/24/47/522842447.db2.gz JQLNTOODCHOYQO-UHFFFAOYSA-N 0 0 438.396 1.728 50 0 IDAARN COc1cc(OC)nc(NC(=O)COC(=O)c2ccccc2SCC(=O)NC2CC2)n1 ZINC000022521247 522888226 /nfs/dbraw/zinc/88/82/26/522888226.db2.gz OODSOADQPBTAEP-UHFFFAOYSA-N 0 0 446.485 1.660 50 0 IDAARN COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)Nc3cccc(O)c3)c(=O)c2cc1OC ZINC000020761221 523070182 /nfs/dbraw/zinc/07/01/82/523070182.db2.gz HLLBXHOXEVHLFW-LBPRGKRZSA-N 0 0 426.429 1.263 50 0 biogenic IDAARN COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)Nc3nc(C)cs3)c(=O)c2cc1OC ZINC000020761374 523070611 /nfs/dbraw/zinc/07/06/11/523070611.db2.gz ATLCQVUUURZMOK-NSHDSACASA-N 0 0 431.474 1.322 50 0 biogenic IDAARN COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(SC)ncc1Cl ZINC000041156306 523097764 /nfs/dbraw/zinc/09/77/64/523097764.db2.gz XEBZQHJVQMTHKG-AWEZNQCLSA-N 0 0 436.921 1.872 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1F)C(=O)OC ZINC000020745885 523118343 /nfs/dbraw/zinc/11/83/43/523118343.db2.gz DSYUJWZJRZLQML-MAUKXSAKSA-N 0 0 436.415 1.840 50 0 IDAARN COc1ccc(-c2csc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)n2)c(OC)c1 ZINC000022242450 523166268 /nfs/dbraw/zinc/16/62/68/523166268.db2.gz LAYDRLQBHZTWDA-UHFFFAOYSA-N 0 0 440.547 1.343 50 0 IDAARN CCn1c(CN2CCN(C(=O)NCCCOC)CC2)nc2cc(C(=O)N(C)C)ccc21 ZINC000033275699 523190431 /nfs/dbraw/zinc/19/04/31/523190431.db2.gz JBGVNYKGAPOXEK-UHFFFAOYSA-N 0 0 430.553 1.622 50 0 IDAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000021464211 523271399 /nfs/dbraw/zinc/27/13/99/523271399.db2.gz LCKVSFZGJSUUES-UHFFFAOYSA-N 0 0 441.822 1.347 50 0 IDAARN COCCCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)cc2C1=O ZINC000014934942 523295650 /nfs/dbraw/zinc/29/56/50/523295650.db2.gz PUUULAKDGUDFPC-UHFFFAOYSA-N 0 0 431.395 1.966 50 0 IDAARN COCCCNC(=O)CN1CCN(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000022915255 523324167 /nfs/dbraw/zinc/32/41/67/523324167.db2.gz UVCRPZJXXAFVCZ-SDOQWUHBSA-N 0 0 434.625 1.478 50 0 IDAARN COC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccs1 ZINC000036754654 523332403 /nfs/dbraw/zinc/33/24/03/523332403.db2.gz AWDFNLMEHHICQI-INIZCTEOSA-N 0 0 437.543 1.964 50 0 IDAARN COCCCn1c(=O)[nH]nc1S[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012825059 523496141 /nfs/dbraw/zinc/49/61/41/523496141.db2.gz CMJYKMNWLFYNDB-LLVKDONJSA-N 0 0 437.478 1.208 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000032997846 523561750 /nfs/dbraw/zinc/56/17/50/523561750.db2.gz JOLIGBAUSPFZQA-HSZRJFAPSA-N 0 0 431.452 1.275 50 0 IDAARN CC[C@]1(C)NC(=O)N(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC000022914248 523605366 /nfs/dbraw/zinc/60/53/66/523605366.db2.gz JFQBJCXOKSLZNH-FQEVSTJZSA-N 0 0 430.534 1.166 50 0 IDAARN CC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O ZINC000021790377 523606402 /nfs/dbraw/zinc/60/64/02/523606402.db2.gz IRWKGJXBSKZILV-SFHVURJKSA-N 0 0 430.482 1.960 50 0 IDAARN CCn1nc(C(=O)NCc2ccc(OC)cc2)c2c1CCN(CCN1CCOCC1)C2 ZINC000020452169 523612174 /nfs/dbraw/zinc/61/21/74/523612174.db2.gz XFJDJRXCFKSLHS-UHFFFAOYSA-N 0 0 427.549 1.532 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NCc1ccco1 ZINC000035374100 523670580 /nfs/dbraw/zinc/67/05/80/523670580.db2.gz JRPWILPJJWJFOS-UHFFFAOYSA-N 0 0 439.447 1.785 50 0 IDAARN CCn1nc(C)cc1C(=O)N1CCN(c2ncccc2C(=O)NC[C@@H]2CCCO2)CC1 ZINC000022644366 523673435 /nfs/dbraw/zinc/67/34/35/523673435.db2.gz REOUIGOXAIULJP-KRWDZBQOSA-N 0 0 426.521 1.478 50 0 IDAARN COc1ccc(C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1 ZINC000022612098 523698217 /nfs/dbraw/zinc/69/82/17/523698217.db2.gz SNABEILNLANWIQ-IYBDPMFKSA-N 0 0 425.551 1.319 50 0 IDAARN COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)c3nonc32)cc1OC ZINC000012390257 523699673 /nfs/dbraw/zinc/69/96/73/523699673.db2.gz CXHGAJOGJZIFFH-UHFFFAOYSA-N 0 0 440.865 1.602 50 0 IDAARN COCCN(CCOC)S(=O)(=O)c1cc2c(=O)nc3sccn3c2cc1Cl ZINC000012417923 523724199 /nfs/dbraw/zinc/72/41/99/523724199.db2.gz KBROJKOHICWSEV-UHFFFAOYSA-N 0 0 431.923 1.846 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021874439 523729738 /nfs/dbraw/zinc/72/97/38/523729738.db2.gz GGGRNNGURSXHLY-NRFANRHFSA-N 0 0 429.546 1.820 50 0 IDAARN CN1C(=O)c2cc(C(=O)NC[C@H]3CCCO3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875377 523730071 /nfs/dbraw/zinc/73/00/71/523730071.db2.gz GYGICOFXNMTZNI-OPAMFIHVSA-N 0 0 431.537 1.475 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3cccnc3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875220 523731371 /nfs/dbraw/zinc/73/13/71/523731371.db2.gz NWEXUZUGSQYEIH-HSZRJFAPSA-N 0 0 438.532 1.891 50 0 IDAARN CN1C(=O)c2ccc(NC(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)cc2C1=O ZINC000012758707 523734871 /nfs/dbraw/zinc/73/48/71/523734871.db2.gz JVPPBLFIFVLUJY-UHFFFAOYSA-N 0 0 435.484 1.378 50 0 IDAARN CN1C2=C(C(=O)N(CC(=O)NCc3cccnc3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000035965149 523739282 /nfs/dbraw/zinc/73/92/82/523739282.db2.gz LFCUJORLOGAYMP-IBGZPJMESA-N 0 0 425.876 1.844 50 0 IDAARN CN1C2=C(C(=O)N(CC(=O)NCc3ccccn3)C2)[C@H](c2ccccc2Cl)NC1=O ZINC000035965144 523739794 /nfs/dbraw/zinc/73/97/94/523739794.db2.gz RTDMPXQGGIKEKN-IBGZPJMESA-N 0 0 425.876 1.844 50 0 IDAARN COc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)NC1CC1 ZINC000017594559 523770763 /nfs/dbraw/zinc/77/07/63/523770763.db2.gz QNCBLZGFWZVHTP-UHFFFAOYSA-N 0 0 444.465 1.589 50 0 IDAARN COc1ccc(C)cc1NC(=O)Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O ZINC000035425694 523830025 /nfs/dbraw/zinc/83/00/25/523830025.db2.gz USPCARRZIDUEIU-UHFFFAOYSA-N 0 0 448.483 1.837 50 0 IDAARN CCc1cc2c(ncn(NC(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)c2=O)s1 ZINC000012933384 523848506 /nfs/dbraw/zinc/84/85/06/523848506.db2.gz 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524784197 /nfs/dbraw/zinc/78/41/97/524784197.db2.gz LIKGULSBNRTINB-OKILXGFUSA-N 0 0 443.477 1.856 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c1 ZINC000035432481 524874471 /nfs/dbraw/zinc/87/44/71/524874471.db2.gz GZCOQGMROHDODA-UHFFFAOYSA-N 0 0 447.488 1.943 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)NCCn2cc(C(=O)Nc3ccccc3)nn2)c1 ZINC000012511443 524876464 /nfs/dbraw/zinc/87/64/64/524876464.db2.gz WPKGLBDHBMZSAE-UHFFFAOYSA-N 0 0 431.474 1.526 50 0 IDAARN COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O ZINC000022698545 524887861 /nfs/dbraw/zinc/88/78/61/524887861.db2.gz ZWLLMIFMZNGIIL-UHFFFAOYSA-N 0 0 440.500 1.362 50 0 IDAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)c1ccc(F)cc1 ZINC000012784981 524913346 /nfs/dbraw/zinc/91/33/46/524913346.db2.gz CZDQNBJMUJJLMA-ZDUSSCGKSA-N 0 0 436.509 1.541 50 0 IDAARN COc1ccc(OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012686136 524936753 /nfs/dbraw/zinc/93/67/53/524936753.db2.gz BOQSSUVIFXMCHL-UHFFFAOYSA-N 0 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COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 ZINC000023053436 525035538 /nfs/dbraw/zinc/03/55/38/525035538.db2.gz HSBSAWJASSSERF-QFIPXVFZSA-N 0 0 444.509 1.700 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)c4ccccc4c3=O)CC2)cc1 ZINC000012924902 525037254 /nfs/dbraw/zinc/03/72/54/525037254.db2.gz YKPPRWAUDJMCLN-UHFFFAOYSA-N 0 0 428.514 1.678 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccnc1N1CCCC1 ZINC000023873398 525043194 /nfs/dbraw/zinc/04/31/94/525043194.db2.gz HBXAPCCHVWWSHJ-UHFFFAOYSA-N 0 0 446.529 1.964 50 0 IDAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000012390485 525066309 /nfs/dbraw/zinc/06/63/09/525066309.db2.gz JISHWYZOAATIMF-MRXNPFEDSA-N 0 0 438.527 1.091 50 0 IDAARN Cc1cc(N2CCN(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)nc(C(C)C)n1 ZINC000035325414 525081212 /nfs/dbraw/zinc/08/12/12/525081212.db2.gz RNFMZXGIDBFCLT-UHFFFAOYSA-N 0 0 443.552 1.316 50 0 IDAARN CS(=O)(=O)CC[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531437 525130711 /nfs/dbraw/zinc/13/07/11/525130711.db2.gz NHPUGMXXRXFRKH-NRFANRHFSA-N 0 0 441.553 1.795 50 0 IDAARN Cc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614228 525148773 /nfs/dbraw/zinc/14/87/73/525148773.db2.gz WIQNNSZSCUZPMA-IBGZPJMESA-N 0 0 425.485 1.530 50 0 IDAARN Cc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614226 525148985 /nfs/dbraw/zinc/14/89/85/525148985.db2.gz WIQNNSZSCUZPMA-LJQANCHMSA-N 0 0 425.485 1.530 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)CC1 ZINC000022310652 525159509 /nfs/dbraw/zinc/15/95/09/525159509.db2.gz YXSQEGDPOSUECD-INIZCTEOSA-N 0 0 448.545 1.102 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)CC1 ZINC000022310659 525160036 /nfs/dbraw/zinc/16/00/36/525160036.db2.gz YXSQEGDPOSUECD-MRXNPFEDSA-N 0 0 448.545 1.102 50 0 IDAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2Cl)CC1 ZINC000012583731 525163933 /nfs/dbraw/zinc/16/39/33/525163933.db2.gz ZCNOOBOECACROG-CQSZACIVSA-N 0 0 430.954 1.987 50 0 IDAARN COc1ccc([C@@H](CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)N2CCOCC2)cc1 ZINC000022226891 525182791 /nfs/dbraw/zinc/18/27/91/525182791.db2.gz BOTCZPUZHUIGLK-QHAWAJNXSA-N 0 0 441.528 1.526 50 0 IDAARN C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1=O ZINC000023717402 525236208 /nfs/dbraw/zinc/23/62/08/525236208.db2.gz SOWIAVRBKUIHBD-OAQYLSRUSA-N 0 0 432.546 1.160 50 0 IDAARN CS(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c(S(C)(=O)=O)c1 ZINC000012559515 525253205 /nfs/dbraw/zinc/25/32/05/525253205.db2.gz SMSDBKFFMYBITM-UHFFFAOYSA-N 0 0 448.570 1.464 50 0 IDAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(CCc3ccccc3)CC2)C1=O ZINC000012756741 525317012 /nfs/dbraw/zinc/31/70/12/525317012.db2.gz NJUPLWWBBZLCBS-XMMPIXPASA-N 0 0 438.503 1.980 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 ZINC000011007906 534848143 /nfs/dbraw/zinc/84/81/43/534848143.db2.gz PKZXSQIOIPCOEU-UHFFFAOYSA-N 0 0 433.505 1.957 50 0 IDAARN C[C@]1(c2ccco2)NC(=O)N(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1=O ZINC000022913004 525333682 /nfs/dbraw/zinc/33/36/82/525333682.db2.gz DNONKBSDTYJNLU-OAQYLSRUSA-N 0 0 445.907 1.914 50 0 IDAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 ZINC000012849479 525374442 /nfs/dbraw/zinc/37/44/42/525374442.db2.gz VUEIQNPKGGKVBK-GASCZTMLSA-N 0 0 442.509 1.508 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000020745084 525401405 /nfs/dbraw/zinc/40/14/05/525401405.db2.gz JMGYBVGTRHKJSV-UHFFFAOYSA-N 0 0 444.872 1.204 50 0 IDAARN C[C@@H](NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000012932958 525411718 /nfs/dbraw/zinc/41/17/18/525411718.db2.gz YMVOKXQNZBZBCF-LQZXRHCMSA-N 0 0 436.534 1.273 50 0 IDAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(CC(=O)NC[C@@H]4CCCO4)CC3)c2c1 ZINC000020733777 525493619 /nfs/dbraw/zinc/49/36/19/525493619.db2.gz FKEBPWFUVXXEFG-KKSFZXQISA-N 0 0 430.505 1.215 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN(c2ncccn2)CC1 ZINC000021848122 525494503 /nfs/dbraw/zinc/49/45/03/525494503.db2.gz JNOZPPQXRVSGFI-INIZCTEOSA-N 0 0 432.550 1.185 50 0 IDAARN CSCC[C@@H](C(=O)OCC(=O)NC(=O)NCC(C)C)N1C(=O)c2ccccc2C1=O ZINC000020979651 525520010 /nfs/dbraw/zinc/52/00/10/525520010.db2.gz HHBSDTWRYIHRJF-HNNXBMFYSA-N 0 0 435.502 1.429 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000012738453 525530066 /nfs/dbraw/zinc/53/00/66/525530066.db2.gz OVPQVBJXCRDQIR-QZTJIDSGSA-N 0 0 429.608 1.914 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc1 ZINC000012903326 525539035 /nfs/dbraw/zinc/53/90/35/525539035.db2.gz XSVAGVHXUQEQQG-UHFFFAOYSA-N 0 0 426.502 1.182 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)cc1 ZINC000012817907 525539193 /nfs/dbraw/zinc/53/91/93/525539193.db2.gz QXZNZUCGTKZEGH-UHFFFAOYSA-N 0 0 430.530 1.327 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012897455 525539228 /nfs/dbraw/zinc/53/92/28/525539228.db2.gz CNMMMJULQGQTRE-UHFFFAOYSA-N 0 0 431.514 1.982 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000021817226 525547167 /nfs/dbraw/zinc/54/71/67/525547167.db2.gz CNMARWKQBVNBBS-IBGZPJMESA-N 0 0 431.489 1.773 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@@H](C)C(=O)N2CCOCC2)C(C)C)cc1C ZINC000012908695 525581047 /nfs/dbraw/zinc/58/10/47/525581047.db2.gz ZHXVOTQWBQYHQA-FUHWJXTLSA-N 0 0 426.535 1.397 50 0 IDAARN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363876 525590814 /nfs/dbraw/zinc/59/08/14/525590814.db2.gz RPQFRVHPUSVADI-IFDTWAIBSA-N 0 0 433.508 1.647 50 0 biogenic IDAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000012534976 525608610 /nfs/dbraw/zinc/60/86/10/525608610.db2.gz GEWJSXQXHQMRGU-UHFFFAOYSA-N 0 0 443.467 1.696 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc3c(c1)OCO3)O[C@H](C)C(=O)N2 ZINC000035452773 525610810 /nfs/dbraw/zinc/61/08/10/525610810.db2.gz PLPMLDRLFCYNGA-GFCCVEGCSA-N 0 0 447.469 1.702 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)NC4CCCCC4)CC3)cc2NC1=O ZINC000033021663 525611424 /nfs/dbraw/zinc/61/14/24/525611424.db2.gz JAZVOMHYBGABGT-AWEZNQCLSA-N 0 0 436.534 1.755 50 0 IDAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCCN3CCOCC3)C(C)(C)S[C@@H]21 ZINC000020609985 525612021 /nfs/dbraw/zinc/61/20/21/525612021.db2.gz ZOTBCWGYVUOQSL-NQIIRXRSSA-N 0 0 449.573 1.891 50 0 biogenic IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc3c(c1)OCO3)OCC(=O)N2 ZINC000015825980 525612199 /nfs/dbraw/zinc/61/21/99/525612199.db2.gz PAZCXIQVCWYCQZ-UHFFFAOYSA-N 0 0 433.442 1.314 50 0 IDAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012905307 525618254 /nfs/dbraw/zinc/61/82/54/525618254.db2.gz HYUCDGDQAOIPMG-MGPUTAFESA-N 0 0 432.498 1.552 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000012894859 525638919 /nfs/dbraw/zinc/63/89/19/525638919.db2.gz FSRNMWZATLOLLJ-UHFFFAOYSA-N 0 0 427.482 1.409 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1 ZINC000013848559 534872892 /nfs/dbraw/zinc/87/28/92/534872892.db2.gz HJTWQORZEWKLJC-UHFFFAOYSA-N 0 0 426.502 1.715 50 0 IDAARN Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c12 ZINC000021885791 525680781 /nfs/dbraw/zinc/68/07/81/525680781.db2.gz BHWXYVPBBVQKAU-MRXNPFEDSA-N 0 0 428.514 1.497 50 0 IDAARN C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000012557896 525708759 /nfs/dbraw/zinc/70/87/59/525708759.db2.gz IZGFZIQAQLDBFV-OAHLLOKOSA-N 0 0 430.530 1.620 50 0 IDAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CCCc1ccccc1 ZINC000021528778 525803773 /nfs/dbraw/zinc/80/37/73/525803773.db2.gz JTVGSFPULACTGR-QHCPKHFHSA-N 0 0 443.569 1.798 50 0 IDAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1C1CC1 ZINC000021528665 525804496 /nfs/dbraw/zinc/80/44/96/525804496.db2.gz YDXDNTSVWHPIDS-QFIPXVFZSA-N 0 0 427.526 1.757 50 0 IDAARN Cc1ccsc1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012913365 525829445 /nfs/dbraw/zinc/82/94/45/525829445.db2.gz ZQDDFNWZFAFOTN-UHFFFAOYSA-N 0 0 428.470 1.357 50 0 IDAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccc4c(c3)OCO4)=C2)c1 ZINC000021810149 525858951 /nfs/dbraw/zinc/85/89/51/525858951.db2.gz TXHLDRUCIOJDIH-UHFFFAOYSA-N 0 0 429.454 1.604 50 0 IDAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(c4ccccc4)CC3)=C2)c1 ZINC000020467468 525859070 /nfs/dbraw/zinc/85/90/70/525859070.db2.gz YAGQHDDZMXLZKC-UHFFFAOYSA-N 0 0 440.525 1.907 50 0 IDAARN C[C@@H](OC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000023818826 525887915 /nfs/dbraw/zinc/88/79/15/525887915.db2.gz RHSJNJKMJYRHSV-MCMMXHMISA-N 0 0 439.424 1.753 50 0 IDAARN C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012506152 525894836 /nfs/dbraw/zinc/89/48/36/525894836.db2.gz YELTVLNKVFSGPH-LBPRGKRZSA-N 0 0 432.433 1.843 50 0 IDAARN C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012804130 525895419 /nfs/dbraw/zinc/89/54/19/525895419.db2.gz HDZVPERNHQPUSW-LBPRGKRZSA-N 0 0 444.469 1.357 50 0 IDAARN C[C@@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)Nc1sccc1C(N)=O ZINC000012903712 525896385 /nfs/dbraw/zinc/89/63/85/525896385.db2.gz GQSPBACBACJJDT-SNVBAGLBSA-N 0 0 430.442 1.083 50 0 IDAARN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCOc3ccccc3C2)c1OC ZINC000012589130 525948260 /nfs/dbraw/zinc/94/82/60/525948260.db2.gz ATMXLPUTWOUTKB-LJQANCHMSA-N 0 0 439.512 1.816 50 0 IDAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(CCNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020891147 525949970 /nfs/dbraw/zinc/94/99/70/525949970.db2.gz GWXDZAYHXLBWDF-QGZVFWFLSA-N 0 0 425.485 1.757 50 0 IDAARN COc1cccc(CNC(=O)CNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)c1 ZINC000021782214 525973003 /nfs/dbraw/zinc/97/30/03/525973003.db2.gz PPVMGUVNRMOXGC-XMMPIXPASA-N 0 0 434.496 1.927 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)nn1C ZINC000012443156 526059803 /nfs/dbraw/zinc/05/98/03/526059803.db2.gz BCXFYVJQKHODDG-HNNXBMFYSA-N 0 0 434.453 1.709 50 0 IDAARN Cc1ccc(C(=O)N2CCN3C(=O)[C@H]([C@@H](C)OCc4ccccc4)NC(=O)[C@H]3C2)cc1F ZINC000014748922 526116554 /nfs/dbraw/zinc/11/65/54/526116554.db2.gz XAVYPAFIJDIPLW-HBGVWJBISA-N 0 0 439.487 1.891 50 0 IDAARN Cc1cc(=O)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)nn1-c1ccccc1F ZINC000035325951 526126906 /nfs/dbraw/zinc/12/69/06/526126906.db2.gz PDPUKARFKXJJJC-UHFFFAOYSA-N 0 0 427.480 1.060 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000023747244 526153136 /nfs/dbraw/zinc/15/31/36/526153136.db2.gz DRVGODSXRWEXDT-UHFFFAOYSA-N 0 0 437.543 1.124 50 0 IDAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1 ZINC000035452458 526173993 /nfs/dbraw/zinc/17/39/93/526173993.db2.gz LZHDFKAPBRXKAZ-CYBMUJFWSA-N 0 0 433.486 1.982 50 0 IDAARN COc1cccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(C(C)=O)CC2)c1 ZINC000022698524 526185200 /nfs/dbraw/zinc/18/52/00/526185200.db2.gz CDCLNMQQFFNTDX-UHFFFAOYSA-N 0 0 428.489 1.168 50 0 IDAARN 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O=C(CCC(=O)N1CCOCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000035399113 526381094 /nfs/dbraw/zinc/38/10/94/526381094.db2.gz UUNASNFOXIWCPS-UHFFFAOYSA-N 0 0 435.546 1.389 50 0 IDAARN O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029458 526409413 /nfs/dbraw/zinc/40/94/13/526409413.db2.gz OEYHEKINLWBFJG-SFHVURJKSA-N 0 0 425.503 1.759 50 0 IDAARN O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(Br)cc1 ZINC000012802147 526427725 /nfs/dbraw/zinc/42/77/25/526427725.db2.gz LRPLETBXTIDYAK-NFAWXSAZSA-N 0 0 430.324 1.795 50 0 IDAARN O=C([C@@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCC(CCn2cccn2)CC1 ZINC000020781334 526462102 /nfs/dbraw/zinc/46/21/02/526462102.db2.gz SCWYGSCJGSHQLY-OAQYLSRUSA-N 0 0 431.581 1.473 50 0 IDAARN O=C([C@@H]1CCC(=O)N(CCN2CCOCC2)C1)N1CCC(OCc2ccccc2)CC1 ZINC000020782581 526462251 /nfs/dbraw/zinc/46/22/51/526462251.db2.gz XEZJHPDTXCSLDH-OAQYLSRUSA-N 0 0 429.561 1.765 50 0 IDAARN O=C(CCCn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015323934 526469536 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/nfs/dbraw/zinc/06/02/10/527060210.db2.gz BNMHSAMFIRKUQU-UHFFFAOYSA-N 0 0 425.416 1.796 50 0 IDAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1ccc(Br)cc1 ZINC000014536234 527084037 /nfs/dbraw/zinc/08/40/37/527084037.db2.gz FQWDBNKWUJQQNP-KSZLIROESA-N 0 0 442.313 1.890 50 0 IDAARN O=C(CSc1nnnn1Cc1ccccc1)NCC1(N2CCOCC2)CCCCC1 ZINC000012772729 527095044 /nfs/dbraw/zinc/09/50/44/527095044.db2.gz KHEQBFWIHASANK-UHFFFAOYSA-N 0 0 430.578 1.965 50 0 IDAARN Cn1c2ccc(S(=O)(=O)CC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2n(C)c1=O ZINC000035531570 527103337 /nfs/dbraw/zinc/10/33/37/527103337.db2.gz WIJDAHSKSKLVER-UHFFFAOYSA-N 0 0 446.504 1.139 50 0 IDAARN Cn1c2nc(CN3CCOCC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000020519383 527120147 /nfs/dbraw/zinc/12/01/47/527120147.db2.gz RNQJVOZYORZMII-UHFFFAOYSA-N 0 0 438.315 1.621 50 0 IDAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3CCNc1ccc(F)cc1 ZINC000010108982 527123407 /nfs/dbraw/zinc/12/34/07/527123407.db2.gz PNNSYXLZQBRSTO-UHFFFAOYSA-N 0 0 447.474 1.909 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3cc(C(C)(C)C)nn3Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000012525333 527124233 /nfs/dbraw/zinc/12/42/33/527124233.db2.gz RYMRMNFTZIOWTO-UHFFFAOYSA-N 0 0 449.515 1.615 50 0 IDAARN Cn1c2ncn(CCCC(=O)Nc3ccc(Br)cc3F)c2c(=O)n(C)c1=O ZINC000012603025 527126148 /nfs/dbraw/zinc/12/61/48/527126148.db2.gz XXONWCMKYPBRGG-UHFFFAOYSA-N 0 0 438.257 1.754 50 0 IDAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)NCc1ccccn1 ZINC000020935763 527136718 /nfs/dbraw/zinc/13/67/18/527136718.db2.gz FXNVMEJCWPWFGY-UHFFFAOYSA-N 0 0 426.429 1.890 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000012073072 527150853 /nfs/dbraw/zinc/15/08/53/527150853.db2.gz BYZUJVOJGZAONN-QHCPKHFHSA-N 0 0 438.547 1.903 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(Cl)c1)OC[C@@H]1CCCO1 ZINC000012136961 527150936 /nfs/dbraw/zinc/15/09/36/527150936.db2.gz DDBYWWUJLWMZRW-GJZGRUSLSA-N 0 0 439.921 1.267 50 0 IDAARN O=C(Nc1ccc(Br)cc1F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012782732 527158789 /nfs/dbraw/zinc/15/87/89/527158789.db2.gz HEOWDCFYINAHCP-SNVBAGLBSA-N 0 0 432.271 1.692 50 0 IDAARN Cc1nc2ccccc2nc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012528819 527174047 /nfs/dbraw/zinc/17/40/47/527174047.db2.gz OMPMUXLWXWXDDC-UHFFFAOYSA-N 0 0 442.497 1.977 50 0 IDAARN Cn1cc(CCNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cn1 ZINC000012586625 527192916 /nfs/dbraw/zinc/19/29/16/527192916.db2.gz BAHGUYICKKWJME-UHFFFAOYSA-N 0 0 440.953 1.849 50 0 IDAARN Cc1nc2ncnn2c(C)c1CC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012920704 527202446 /nfs/dbraw/zinc/20/24/46/527202446.db2.gz KJGDPLLDXSELBS-UHFFFAOYSA-N 0 0 446.508 1.346 50 0 IDAARN Cc1nc2oc3c(ncn(CC(=O)NC[C@@H]4CCCO4)c3=O)c2c2c1COC(C)(C)C2 ZINC000012324328 527205377 /nfs/dbraw/zinc/20/53/77/527205377.db2.gz SZZLDSWGBXCEBX-ZDUSSCGKSA-N 0 0 426.473 1.993 50 0 IDAARN Cc1nc2sc3c(c2c2nc(C(=O)NCCN4CCOCC4)nn21)CC(C)(C)OC3 ZINC000020533448 527207647 /nfs/dbraw/zinc/20/76/47/527207647.db2.gz XSKCKBWPCQWUFK-UHFFFAOYSA-N 0 0 430.534 1.561 50 0 IDAARN Cn1cc(I)c(=O)n(CC(=O)Nc2ccnn2C2CCCC2)c1=O ZINC000089749781 527241132 /nfs/dbraw/zinc/24/11/32/527241132.db2.gz FJGCGKMMUZPCSZ-UHFFFAOYSA-N 0 0 443.245 1.102 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1Cn1cccn1 ZINC000012919695 527283005 /nfs/dbraw/zinc/28/30/05/527283005.db2.gz CHVZNPQGDMFOTL-UHFFFAOYSA-N 0 0 427.530 1.984 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1C(N)=O ZINC000012929052 527283797 /nfs/dbraw/zinc/28/37/97/527283797.db2.gz DZSGBVGUQPGCCR-UHFFFAOYSA-N 0 0 445.328 1.578 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1C(N)=O ZINC000015544706 527283812 /nfs/dbraw/zinc/28/38/12/527283812.db2.gz DWBLKCUXMPUCFQ-UHFFFAOYSA-N 0 0 432.546 1.568 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1C(N)=O ZINC000012865222 527284052 /nfs/dbraw/zinc/28/40/52/527284052.db2.gz BQTNONPFRUJTHH-UHFFFAOYSA-N 0 0 428.873 1.063 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000012819453 527311693 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435.871 1.971 50 0 IDAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000012590609 527352781 /nfs/dbraw/zinc/35/27/81/527352781.db2.gz KMKGUCKOLJQGRF-UHFFFAOYSA-N 0 0 432.480 1.502 50 0 IDAARN O=C(Cn1c2ccccc2nc1-c1cscn1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012531422 527360428 /nfs/dbraw/zinc/36/04/28/527360428.db2.gz ORLCDPTWBAMXNK-OAHLLOKOSA-N 0 0 445.570 1.491 50 0 IDAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000012853202 527402241 /nfs/dbraw/zinc/40/22/41/527402241.db2.gz YPSHIANEKIBASU-CQSZACIVSA-N 0 0 435.889 1.859 50 0 IDAARN O=C(Cn1cnc2nc(N3CCC[C@H](C(=O)NC4CC4)C3)sc2c1=O)NC1CCCC1 ZINC000033141536 527405118 /nfs/dbraw/zinc/40/51/18/527405118.db2.gz PZFDMJYHJFGFCB-ZDUSSCGKSA-N 0 0 444.561 1.407 50 0 IDAARN O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1ccc2c(c1)OCO2 ZINC000035375556 527417117 /nfs/dbraw/zinc/41/71/17/527417117.db2.gz VALRDOKRWQCLRI-UHFFFAOYSA-N 0 0 447.495 1.615 50 0 IDAARN O=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)N1CCCc2ccccc21 ZINC000035425732 527418313 /nfs/dbraw/zinc/41/83/13/527418313.db2.gz PJCAGBIEWNIACK-UHFFFAOYSA-N 0 0 444.495 1.860 50 0 IDAARN O=C(Cn1nnc2ccccc2c1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533505 527430885 /nfs/dbraw/zinc/43/08/85/527430885.db2.gz GMTTZRHALHZKRP-UHFFFAOYSA-N 0 0 432.406 1.944 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)c1=O)NC1CC1 ZINC000077100231 527432707 /nfs/dbraw/zinc/43/27/07/527432707.db2.gz PCAFZTLHGDRBDZ-UHFFFAOYSA-N 0 0 446.423 1.066 50 0 IDAARN O=c1[nH]c2ccccc2n1C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000023865459 527444926 /nfs/dbraw/zinc/44/49/26/527444926.db2.gz ZTCPWJLHXHTNKP-UHFFFAOYSA-N 0 0 443.529 1.587 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCn1c(=O)c3ccccc3nc1-c1ccccc1)c(=O)n2C ZINC000012525122 527495077 /nfs/dbraw/zinc/49/50/77/527495077.db2.gz DJGLSULJEYZYKF-UHFFFAOYSA-N 0 0 442.479 1.901 50 0 IDAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000022798069 527536421 /nfs/dbraw/zinc/53/64/21/527536421.db2.gz 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CCOC(=O)c1ccc(N2CN=c3s/c(=C4/c5ccccc5N(C)C4=O)c(=O)n3C2)cc1 ZINC000002158736 535692347 /nfs/dbraw/zinc/69/23/47/535692347.db2.gz JAGNSZGMXDRHJM-HNENSFHCSA-N 0 0 448.504 1.317 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O ZINC000004386343 535762509 /nfs/dbraw/zinc/76/25/09/535762509.db2.gz DGGBKUNIGHOBNA-CYBMUJFWSA-N 0 0 425.489 1.864 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(C)ccc2OC)n(C)c1=O ZINC000010102733 535762522 /nfs/dbraw/zinc/76/25/22/535762522.db2.gz LTURNBGZDCRJSB-CQSZACIVSA-N 0 0 441.488 1.565 50 0 IDAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000008671941 535778549 /nfs/dbraw/zinc/77/85/49/535778549.db2.gz IZPSPRBRRWXLAP-UHFFFAOYSA-N 0 0 446.935 1.850 50 0 IDAARN CN1C(=O)N(C)C(=O)C2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C1=O ZINC000002434377 536320559 /nfs/dbraw/zinc/32/05/59/536320559.db2.gz SUNHHZBPRHZEJC-GOSISDBHSA-N 0 0 443.463 1.391 50 0 IDAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(N)ccc3N3CCN(c4ccccc4F)C[C@H]32)C1=O ZINC000004038167 536320835 /nfs/dbraw/zinc/32/08/35/536320835.db2.gz HDCQCUNQDDNREQ-IBGZPJMESA-N 0 0 437.475 1.696 50 0 IDAARN COCCN(C(=O)CN1CCCc2cc(C)ccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009125904 536694028 /nfs/dbraw/zinc/69/40/28/536694028.db2.gz BWUDMCABPQVFEG-UHFFFAOYSA-N 0 0 443.548 1.515 50 0 IDAARN COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1[C@H](C(=O)OC)CC2 ZINC000000622383 555511143 /nfs/dbraw/zinc/51/11/43/555511143.db2.gz QPUZTCGJHZZWGE-GFCCVEGCSA-N 0 0 442.449 1.972 50 0 IDAARN COc1ccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000629413 555514085 /nfs/dbraw/zinc/51/40/85/555514085.db2.gz BNRHZAXVXKOASA-ZDUSSCGKSA-N 0 0 441.444 1.077 50 0 IDAARN C[C@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000000632431 555515531 /nfs/dbraw/zinc/51/55/31/555515531.db2.gz DNPBBPDNGYCTFN-VIFPVBQESA-N 0 0 425.308 1.707 50 0 IDAARN CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000000637233 555516963 /nfs/dbraw/zinc/51/69/63/555516963.db2.gz 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CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000840838 555568122 /nfs/dbraw/zinc/56/81/22/555568122.db2.gz VSTUADXOFOCHGY-UHFFFAOYSA-N 0 0 439.515 1.467 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000000886772 555579218 /nfs/dbraw/zinc/57/92/18/555579218.db2.gz UUTFINCUSAMQEP-UHFFFAOYSA-N 0 0 437.440 1.772 50 0 IDAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000009561831 555580638 /nfs/dbraw/zinc/58/06/38/555580638.db2.gz CYGRZBZNIICLGK-UHFFFAOYSA-N 0 0 442.497 1.991 50 0 IDAARN Cc1nnc2sc3c(n2c1=O)C(=O)N(c1ccc(I)cc1)C3=O ZINC000000947635 555588148 /nfs/dbraw/zinc/58/81/48/555588148.db2.gz WGKAGTPCJPMOBB-UHFFFAOYSA-N 0 0 438.206 1.865 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)N2CCCN(c3nccc(C(F)(F)F)n3)CC2)n1C ZINC000001029576 555605421 /nfs/dbraw/zinc/60/54/21/555605421.db2.gz HVFMVGPLQJDQHU-UHFFFAOYSA-N 0 0 447.439 1.522 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000001034148 555607350 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437.556 1.318 50 0 IDAARN COC(=O)[C@H](C)[C@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(=O)N1CCOCC1 ZINC000002853386 555840398 /nfs/dbraw/zinc/84/03/98/555840398.db2.gz BGMDJXVXRCLPGC-ONERCXAPSA-N 0 0 426.263 1.736 50 0 IDAARN COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)C(C)(C)C)(C(F)(F)F)C(=O)N3)cc1 ZINC000002863665 555846380 /nfs/dbraw/zinc/84/63/80/555846380.db2.gz YXXBMHYZFHIKEB-GOSISDBHSA-N 0 0 440.378 1.406 50 0 IDAARN COCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000002876534 555852518 /nfs/dbraw/zinc/85/25/18/555852518.db2.gz XQSILYAZZLYSIS-UHFFFAOYSA-N 0 0 447.513 1.670 50 0 IDAARN COc1ccc(CN2CCn3nc(C(=O)NCCCN4CCCC4=O)cc3C2=O)cc1 ZINC000034830878 555912019 /nfs/dbraw/zinc/91/20/19/555912019.db2.gz CYTYQMYQMFHMCZ-UHFFFAOYSA-N 0 0 425.489 1.290 50 0 IDAARN COCCn1c2ccccc2nc1N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000034906742 555920524 /nfs/dbraw/zinc/92/05/24/555920524.db2.gz YPUMPRUNEMIEEO-UHFFFAOYSA-N 0 0 429.565 1.738 50 0 IDAARN COc1cccc(C(=O)N2[C@H](C(=O)NCCN3CCOCC3)COC23CCC(C)CC3)c1 ZINC000034921073 555931473 /nfs/dbraw/zinc/93/14/73/555931473.db2.gz KTVFLCMJMWFOBM-VZQLXNMESA-N 0 0 445.560 1.891 50 0 IDAARN CCOC(=O)NCCN(CCN(CCNC(=O)OCC)C(=O)OCC)C(=O)OCC ZINC000004583775 556002983 /nfs/dbraw/zinc/00/29/83/556002983.db2.gz SBNGDFXVXUYNQP-UHFFFAOYSA-N 0 0 434.490 1.396 50 0 IDAARN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1 ZINC000005734790 556064212 /nfs/dbraw/zinc/06/42/12/556064212.db2.gz FAVCUUQOZGVLMI-ZCNNSNEGSA-N 0 0 433.417 1.298 50 0 IDAARN Cn1c2nc(NCc3ccco3)n(C[C@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000002701976 556122681 /nfs/dbraw/zinc/12/26/81/556122681.db2.gz AKMRKGZXZGQFKX-AWEZNQCLSA-N 0 0 425.445 1.079 50 0 IDAARN Cc1c(S(=O)(=O)N2CCN(C(=O)c3cc(Br)cs3)CC2)cnn1C ZINC000002730100 556134222 /nfs/dbraw/zinc/13/42/22/556134222.db2.gz SNNRFYFCGNYNLM-UHFFFAOYSA-N 0 0 433.353 1.699 50 0 IDAARN CCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002803917 556142634 /nfs/dbraw/zinc/14/26/34/556142634.db2.gz 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Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCC(C)C)c(C)c1 ZINC000003017368 556158525 /nfs/dbraw/zinc/15/85/25/556158525.db2.gz ZACILRJEWDXKRW-QGZVFWFLSA-N 0 0 425.551 1.237 50 0 IDAARN COC(=O)C1=C(C(=O)OC)[C@@H]2C=CC=C(c3ccccc3)N2C(C(=O)OC)=C1C(=O)OC ZINC000008387009 556162517 /nfs/dbraw/zinc/16/25/17/556162517.db2.gz YMDHZJVASUXZFI-HNNXBMFYSA-N 0 0 439.420 1.524 50 0 IDAARN CN(C)c1nc(N)nc(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC000008745676 556208946 /nfs/dbraw/zinc/20/89/46/556208946.db2.gz NZNOJTNEUHGOLN-UHFFFAOYSA-N 0 0 448.549 1.370 50 0 IDAARN CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000008745722 556208960 /nfs/dbraw/zinc/20/89/60/556208960.db2.gz IRIHSHBPCLEVEW-UHFFFAOYSA-N 0 0 436.578 1.425 50 0 IDAARN NC(=O)CSc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000008745470 556209109 /nfs/dbraw/zinc/20/91/09/556209109.db2.gz VBIGWWWTZYQQHX-NRFANRHFSA-N 0 0 440.481 1.432 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816113 556217430 /nfs/dbraw/zinc/21/74/30/556217430.db2.gz MYKLRRWPGUZPPS-OAHLLOKOSA-N 0 0 447.488 1.838 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008843448 556226416 /nfs/dbraw/zinc/22/64/16/556226416.db2.gz ZNAPBURAUTYNFM-RPXHZFJKSA-N 0 0 440.500 1.979 50 0 IDAARN C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000097527155 556237131 /nfs/dbraw/zinc/23/71/31/556237131.db2.gz PSJFWERFRDMJIM-FRBILKQBSA-N 0 0 445.608 1.454 50 0 IDAARN C[C@H](Cc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1)c1ccccc1 ZINC000009095424 556246522 /nfs/dbraw/zinc/24/65/22/556246522.db2.gz OXKVGGHNPKIQRK-GFCCVEGCSA-N 0 0 439.501 1.270 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)CC1 ZINC000009095645 556246710 /nfs/dbraw/zinc/24/67/10/556246710.db2.gz ZHHGESMXUQVUEJ-IEBWSBKVSA-N 0 0 449.573 1.755 50 0 IDAARN COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000009266560 556270788 /nfs/dbraw/zinc/27/07/88/556270788.db2.gz ZSNRCYYBLBOJPS-OAHLLOKOSA-N 0 0 437.518 1.510 50 0 IDAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)NCCc3ccccc3)=C2)cc1OC ZINC000009290119 556274022 /nfs/dbraw/zinc/27/40/22/556274022.db2.gz HFRSRBZHOWFSNO-UHFFFAOYSA-N 0 0 429.498 1.926 50 0 biogenic IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)Nc3ccccn3)C2)cc1 ZINC000009304956 556276606 /nfs/dbraw/zinc/27/66/06/556276606.db2.gz UIPYRRCMSHPZPE-MRXNPFEDSA-N 0 0 446.529 1.636 50 0 IDAARN COc1cc(-c2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc(OC)c1OC ZINC000013718630 556288396 /nfs/dbraw/zinc/28/83/96/556288396.db2.gz SZVCPPGGQYAXRS-GFCCVEGCSA-N 0 0 426.516 1.682 50 0 IDAARN CCCCCNC(=O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000013720079 556289395 /nfs/dbraw/zinc/28/93/95/556289395.db2.gz OCWRBYLUPDYEBB-UHFFFAOYSA-N 0 0 425.493 1.605 50 0 IDAARN COC(=O)C1CCN(C(=O)CNC(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)CC1 ZINC000013728926 556294376 /nfs/dbraw/zinc/29/43/76/556294376.db2.gz ZYJRATJYMDMVPS-UHFFFAOYSA-N 0 0 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ZINC000032745225 556314842 /nfs/dbraw/zinc/31/48/42/556314842.db2.gz GBZRFUYPOBLOMB-INIZCTEOSA-N 0 0 432.498 1.926 50 0 IDAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1nonc1NC(C)=O ZINC000009877514 556315058 /nfs/dbraw/zinc/31/50/58/556315058.db2.gz QUQRFDBLDIYKQY-UHFFFAOYSA-N 0 0 431.434 1.766 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000009971446 556319545 /nfs/dbraw/zinc/31/95/45/556319545.db2.gz NBWMTTWNMOQHRO-OAHLLOKOSA-N 0 0 440.543 1.978 50 0 IDAARN COc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1OC ZINC000013858159 556321718 /nfs/dbraw/zinc/32/17/18/556321718.db2.gz ANCUBLGWZXQXAZ-UHFFFAOYSA-N 0 0 448.501 1.299 50 0 IDAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000010060216 556324640 /nfs/dbraw/zinc/32/46/40/556324640.db2.gz VVXJGTGZVZBBDV-UHFFFAOYSA-N 0 0 438.527 1.428 50 0 IDAARN Cc1ccc(CNC(=O)c2nnc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)s2)cc1 ZINC000032770481 556334563 /nfs/dbraw/zinc/33/45/63/556334563.db2.gz 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COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000013992307 556353131 /nfs/dbraw/zinc/35/31/31/556353131.db2.gz DBPMXXCXLHSOFC-UHFFFAOYSA-N 0 0 425.441 1.625 50 0 IDAARN CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1ccccn1)CC2 ZINC000011786822 556353920 /nfs/dbraw/zinc/35/39/20/556353920.db2.gz RZSPBKDUQPKOPG-WSRXNHEDSA-N 0 0 438.532 1.621 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)CSc2nnnn2Cc2ccccc2)s1 ZINC000014086264 556364761 /nfs/dbraw/zinc/36/47/61/556364761.db2.gz NCOKCZQWYURZSY-UHFFFAOYSA-N 0 0 437.572 1.850 50 0 IDAARN CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccncc3)cc2)CC1 ZINC000011843874 556367081 /nfs/dbraw/zinc/36/70/81/556367081.db2.gz DEJROAZXTKUZIF-UHFFFAOYSA-N 0 0 432.546 1.704 50 0 IDAARN Cc1ccc(N2N=C(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)NCC2=O)cc1 ZINC000032807600 556368501 /nfs/dbraw/zinc/36/85/01/556368501.db2.gz QBWIAZUSFHYCQX-QGZVFWFLSA-N 0 0 435.484 1.792 50 0 IDAARN O=C(Nc1cc2c(cc1Br)OCCO2)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000014123109 556372525 /nfs/dbraw/zinc/37/25/25/556372525.db2.gz JPLFNGCRDNKZRO-UHFFFAOYSA-N 0 0 440.275 1.656 50 0 IDAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000014129251 556374521 /nfs/dbraw/zinc/37/45/21/556374521.db2.gz RLWFHUSIQTXCSI-OAHLLOKOSA-N 0 0 433.486 1.288 50 0 IDAARN O=C(c1cccc(-n2cnnn2)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000014135555 556375118 /nfs/dbraw/zinc/37/51/18/556375118.db2.gz LJUYPEHDCLKXBT-UHFFFAOYSA-N 0 0 430.465 1.338 50 0 IDAARN O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCN(C(=O)C2CC2)CC1 ZINC000014140137 556376134 /nfs/dbraw/zinc/37/61/34/556376134.db2.gz LNMNDVIPFMTVRM-UHFFFAOYSA-N 0 0 433.555 1.921 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000014157256 556377596 /nfs/dbraw/zinc/37/75/96/556377596.db2.gz ZTFCDTCGMMSZJI-OBQMCUGOSA-N 0 0 427.457 1.855 50 0 IDAARN Cc1nn(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(=S)[nH]1 ZINC000014159230 556378306 /nfs/dbraw/zinc/37/83/06/556378306.db2.gz DVZHKXVDDXSWCY-UHFFFAOYSA-N 0 0 432.369 1.976 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1C ZINC000014169630 556380807 /nfs/dbraw/zinc/38/08/07/556380807.db2.gz CDZCBQMBFNISMA-UHFFFAOYSA-N 0 0 443.577 1.138 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000014169588 556380827 /nfs/dbraw/zinc/38/08/27/556380827.db2.gz SHILPIPNNNDQAF-CQSZACIVSA-N 0 0 447.469 1.231 50 0 IDAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)N(CC=C(C)C)C2)nn1 ZINC000011971612 556382433 /nfs/dbraw/zinc/38/24/33/556382433.db2.gz ZKOXLBBHMASGMS-PXNSSMCTSA-N 0 0 427.505 1.971 50 0 IDAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)N(CC=C(C)C)C2)c1C(=O)OC ZINC000011976090 556383128 /nfs/dbraw/zinc/38/31/28/556383128.db2.gz ZGXHCPWYYDKNQK-HOCLYGCPSA-N 0 0 445.476 1.342 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000014183415 556383412 /nfs/dbraw/zinc/38/34/12/556383412.db2.gz IOSFMEGLZCOJDL-NRFANRHFSA-N 0 0 449.548 1.721 50 0 IDAARN CC(C)NC(=O)CN1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000014184929 556385077 /nfs/dbraw/zinc/38/50/77/556385077.db2.gz PWOWXPSAWTZLRV-UHFFFAOYSA-N 0 0 442.589 1.906 50 0 IDAARN CSc1ccc(CC(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc1 ZINC000012003322 556385964 /nfs/dbraw/zinc/38/59/64/556385964.db2.gz PFVUIYITZNJVRV-INIZCTEOSA-N 0 0 429.546 1.280 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(C(=O)NC(=O)CSc2ncnc3sccc32)c1 ZINC000032815411 556388067 /nfs/dbraw/zinc/38/80/67/556388067.db2.gz JQFAIMWHDPLODS-UHFFFAOYSA-N 0 0 436.540 1.990 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CN3C(=S)N(C4CC4)C(=O)[C@@H]3C)CC2)c1 ZINC000032809978 556395179 /nfs/dbraw/zinc/39/51/79/556395179.db2.gz HNDQWIOEKGADEF-INIZCTEOSA-N 0 0 436.603 1.547 50 0 IDAARN COc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000014228528 556396092 /nfs/dbraw/zinc/39/60/92/556396092.db2.gz PTGRQBQPBVQXLK-UHFFFAOYSA-N 0 0 448.497 1.589 50 0 IDAARN Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc3c(cc2Cl)OCO3)c1=O ZINC000032810214 556396312 /nfs/dbraw/zinc/39/63/12/556396312.db2.gz XKXFRRNEELXZNT-UHFFFAOYSA-N 0 0 435.868 1.140 50 0 IDAARN CCN(CC(=O)N1CCc2sccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014240464 556401017 /nfs/dbraw/zinc/40/10/17/556401017.db2.gz PYHZXJRERGTJIV-UHFFFAOYSA-N 0 0 439.541 1.640 50 0 IDAARN CSCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000014244018 556403714 /nfs/dbraw/zinc/40/37/14/556403714.db2.gz AHFWKIFXNHDAAD-KRWDZBQOSA-N 0 0 442.607 1.433 50 0 IDAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC[C@@H]1CCCO1 ZINC000014245979 556405790 /nfs/dbraw/zinc/40/57/90/556405790.db2.gz ZCMKYJNPFNMXSS-INIZCTEOSA-N 0 0 443.953 1.248 50 0 IDAARN C[C@H](OC(=O)[C@@H]1COc2ccccc2C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000032823877 556408502 /nfs/dbraw/zinc/40/85/02/556408502.db2.gz FQNXNTIUYWUZON-YOEHRIQHSA-N 0 0 432.498 1.176 50 0 IDAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000014250545 556408844 /nfs/dbraw/zinc/40/88/44/556408844.db2.gz QXOXMYVHDUAWKE-SNVBAGLBSA-N 0 0 440.861 1.943 50 0 IDAARN C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014254096 556410424 /nfs/dbraw/zinc/41/04/24/556410424.db2.gz PXWAGOOCJCTIHF-JTQLQIEISA-N 0 0 429.549 1.261 50 0 IDAARN CN(Cc1ccccc1Br)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000032826459 556411148 /nfs/dbraw/zinc/41/11/48/556411148.db2.gz VWYYQWVYEJEGEU-UONOGXRCSA-N 0 0 429.336 1.443 50 0 IDAARN COc1cccc(NC(=O)CN(C)C(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)c1 ZINC000032826941 556411392 /nfs/dbraw/zinc/41/13/92/556411392.db2.gz OBLMECKWNYEDHD-UHFFFAOYSA-N 0 0 425.489 1.917 50 0 IDAARN CC(C)OC(=O)C[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 ZINC000032820974 556412634 /nfs/dbraw/zinc/41/26/34/556412634.db2.gz XYXWINCHVDDNDZ-FUHWJXTLSA-N 0 0 449.529 1.351 50 0 IDAARN O=C([C@@H]1CC(c2cccc(F)c2)=NO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032833284 556417671 /nfs/dbraw/zinc/41/76/71/556417671.db2.gz GKVKQPYSEBQTOW-IBGZPJMESA-N 0 0 435.452 1.991 50 0 IDAARN O=C(c1cc(Br)ccc1F)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000032837027 556418571 /nfs/dbraw/zinc/41/85/71/556418571.db2.gz BTCZTHQASPCXQM-LLVKDONJSA-N 0 0 433.299 1.307 50 0 IDAARN COC(=O)c1c2c(sc1NC(=O)CN1CCCC[C@H]1CNS(C)(=O)=O)CCCC2 ZINC000012974584 556420522 /nfs/dbraw/zinc/42/05/22/556420522.db2.gz KXXMZTDAUBVROE-ZDUSSCGKSA-N 0 0 443.591 1.756 50 0 IDAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2cn[nH]c2)CC(=O)N(CCc2ccccc2)C1 ZINC000014532578 556421248 /nfs/dbraw/zinc/42/12/48/556421248.db2.gz DWWFFBCXDSSQGR-FQEVSTJZSA-N 0 0 441.532 1.190 50 0 IDAARN COc1cccc(CO[C@H]2CN(Cc3ccccn3)C(=O)CN(C(=O)[C@@H]3CCOC3)C2)c1 ZINC000014532862 556421342 /nfs/dbraw/zinc/42/13/42/556421342.db2.gz QVBOMUHOFKVQFS-KNQAVFIVSA-N 0 0 439.512 1.883 50 0 IDAARN CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)[C@@H]1CNC(=O)C1)CC2 ZINC000014535319 556423145 /nfs/dbraw/zinc/42/31/45/556423145.db2.gz MLUQMKDTYJLAOO-HNNXBMFYSA-N 0 0 426.473 1.138 50 0 IDAARN CSCC(=O)N1CC(=O)N(CCCN2CCCC2=O)C[C@H](OCc2ccccc2)C1 ZINC000014536033 556423463 /nfs/dbraw/zinc/42/34/63/556423463.db2.gz JBYUDXBSLSMDIW-IBGZPJMESA-N 0 0 433.574 1.618 50 0 IDAARN CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)Cn2nc3ccccc3n2)CC1=O ZINC000014538437 556424403 /nfs/dbraw/zinc/42/44/03/556424403.db2.gz FAGJZGOIYZTAAR-IBGZPJMESA-N 0 0 436.516 1.739 50 0 IDAARN O=C(CN1CCOC1=O)N1CC(=O)N(Cc2cccnc2)C[C@@H](OCc2ccccc2)C1 ZINC000014539240 556424963 /nfs/dbraw/zinc/42/49/63/556424963.db2.gz HZWRVQXRPUJHKS-HXUWFJFHSA-N 0 0 438.484 1.290 50 0 IDAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cc(F)c(F)cc1F ZINC000014540975 556425573 /nfs/dbraw/zinc/42/55/73/556425573.db2.gz HPJASGBEZDMFRB-PDSMFRHLSA-N 0 0 433.386 1.250 50 0 IDAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1)c1cccc(Cl)c1 ZINC000014541545 556425906 /nfs/dbraw/zinc/42/59/06/556425906.db2.gz ZZKOXECJQAGCDL-FHWLQOOXSA-N 0 0 427.888 1.755 50 0 IDAARN COc1ccc(-c2csc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 ZINC000012988689 556427861 /nfs/dbraw/zinc/42/78/61/556427861.db2.gz IMPNWFPMOJVOKJ-ZDUSSCGKSA-N 0 0 448.526 1.923 50 0 IDAARN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(C)c1 ZINC000012992876 556428907 /nfs/dbraw/zinc/42/89/07/556428907.db2.gz WBMLMQCSLHFSFN-UHFFFAOYSA-N 0 0 446.573 1.800 50 0 IDAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(S(=O)(=O)N(C)OC)c1 ZINC000013001966 556433841 /nfs/dbraw/zinc/43/38/41/556433841.db2.gz XIFMZZODWKRYQA-UHFFFAOYSA-N 0 0 430.486 1.767 50 0 IDAARN O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)NC1c2ccccc2-c2ccccc21 ZINC000032857850 556434145 /nfs/dbraw/zinc/43/41/45/556434145.db2.gz NXDBQMATDMZYSS-KRWDZBQOSA-N 0 0 425.554 1.677 50 0 IDAARN Cc1cc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@@H]3CS2(=O)=O)ccc1N1CCCC1 ZINC000032858254 556434465 /nfs/dbraw/zinc/43/44/65/556434465.db2.gz MJEMYWQKLIODEE-YVWKXTFCSA-N 0 0 434.562 1.941 50 0 IDAARN O=C(NCCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000013007698 556435124 /nfs/dbraw/zinc/43/51/24/556435124.db2.gz QHZUHZBSAVETRJ-QGZVFWFLSA-N 0 0 432.498 1.845 50 0 IDAARN COc1ccc(OC)c(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000013012471 556436279 /nfs/dbraw/zinc/43/62/79/556436279.db2.gz PHGCXRGCGPQCOE-UHFFFAOYSA-N 0 0 438.502 1.706 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000013016224 556438072 /nfs/dbraw/zinc/43/80/72/556438072.db2.gz KOGRATKYGJJHDW-UHFFFAOYSA-N 0 0 449.529 1.822 50 0 IDAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4sccc4Cl)CN3C2=O)cc1 ZINC000014740716 556438525 /nfs/dbraw/zinc/43/85/25/556438525.db2.gz JPLXAJRLPSFIEV-RCBQFDQVSA-N 0 0 433.917 1.851 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2=O)c1 ZINC000013022430 556439962 /nfs/dbraw/zinc/43/99/62/556439962.db2.gz SVZZGCUFYYPJJN-INIZCTEOSA-N 0 0 431.514 1.451 50 0 IDAARN Cn1cc(CN2CCN3C(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]3C2)c(-c2ccccc2)n1 ZINC000014743896 556439922 /nfs/dbraw/zinc/43/99/22/556439922.db2.gz GBLYEVPULVYMEF-FCHUYYIVSA-N 0 0 445.523 1.547 50 0 IDAARN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)CS2 ZINC000013022077 556440004 /nfs/dbraw/zinc/44/00/04/556440004.db2.gz AZKOXNDFQPEXTN-QAPCUYQASA-N 0 0 443.978 1.627 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@H]3C2)cc1 ZINC000014743751 556440065 /nfs/dbraw/zinc/44/00/65/556440065.db2.gz VGSJYAGRLHKNDS-VQTJNVASSA-N 0 0 427.526 1.280 50 0 IDAARN Cn1nc(C(=O)NCCN2CCOCC2)c2c1CCN(C(=O)c1cccc(Cl)c1F)C2 ZINC000014744465 556440431 /nfs/dbraw/zinc/44/04/31/556440431.db2.gz BWZMSZDRBJXUHI-UHFFFAOYSA-N 0 0 449.914 1.473 50 0 IDAARN Cc1nn(C)cc1CN1CC(=O)N(CC2CCOCC2)C[C@H](OCc2ccccn2)C1 ZINC000014747402 556441934 /nfs/dbraw/zinc/44/19/34/556441934.db2.gz QEGSRMDDURFBSG-JOCHJYFZSA-N 0 0 427.549 1.780 50 0 IDAARN COCCCNC(=O)c1nn(C)c2c1CN(C(=O)c1ccc3nc(C)c(C)nc3c1)CC2 ZINC000014755609 556444743 /nfs/dbraw/zinc/44/47/43/556444743.db2.gz XYVWUBYFNMSPPZ-UHFFFAOYSA-N 0 0 436.516 1.945 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nncn1C1CC1 ZINC000014803147 556446993 /nfs/dbraw/zinc/44/69/93/556446993.db2.gz 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CC[C@H](C)N(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000013117697 556470736 /nfs/dbraw/zinc/47/07/36/556470736.db2.gz LAFVFWLVQDLLHA-CMPZQBNXSA-N 0 0 433.530 1.194 50 0 IDAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000013119928 556472050 /nfs/dbraw/zinc/47/20/50/556472050.db2.gz DCRMAZQIEYXLMF-FQEVSTJZSA-N 0 0 433.574 1.403 50 0 IDAARN Cc1nnc(CC(=O)NC[C@@H]2Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3O2)[nH]1 ZINC000014990392 556474741 /nfs/dbraw/zinc/47/47/41/556474741.db2.gz GLBAXWLLMWJBQM-INIZCTEOSA-N 0 0 426.498 1.846 50 0 IDAARN O=CN1CCN(C(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2C2CC2)CC1 ZINC000014991323 556475137 /nfs/dbraw/zinc/47/51/37/556475137.db2.gz JSSAOLAHROJPRB-UHFFFAOYSA-N 0 0 446.467 1.850 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@](C)(O)c3ccc(F)cc3F)C2=O)cc1 ZINC000072285035 556475704 /nfs/dbraw/zinc/47/57/04/556475704.db2.gz IYXUVHXMHFKKKJ-FCHUYYIVSA-N 0 0 447.438 1.764 50 0 IDAARN 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C[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CCN(c3cnccn3)CC2)C[C@H](C)O1 ZINC000019223150 556716202 /nfs/dbraw/zinc/71/62/02/556716202.db2.gz HRGHUFZJAACHCH-IYBDPMFKSA-N 0 0 441.561 1.757 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)N1CCN(Cc2ccccn2)CC1 ZINC000019224179 556716539 /nfs/dbraw/zinc/71/65/39/556716539.db2.gz QQOTZYYOGIUPQS-QHCPKHFHSA-N 0 0 435.572 1.549 50 0 IDAARN O=C(CC[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1 ZINC000019228870 556717836 /nfs/dbraw/zinc/71/78/36/556717836.db2.gz BYBNXZSYTMYIBN-NRFANRHFSA-N 0 0 442.560 1.802 50 0 IDAARN COCCn1cnc2c1c(=O)n(CC(=O)Nc1c(C)cccc1C)c(=O)n2CC(C)C ZINC000005188682 556723369 /nfs/dbraw/zinc/72/33/69/556723369.db2.gz NUYUHHPYZBYHBR-UHFFFAOYSA-N 0 0 427.505 1.918 50 0 IDAARN O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nncs1 ZINC000061720203 556727495 /nfs/dbraw/zinc/72/74/95/556727495.db2.gz ZSTATSNJZFOYNM-UHFFFAOYSA-N 0 0 441.510 1.319 50 0 IDAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccccn1 ZINC000061720624 556728073 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556991038 /nfs/dbraw/zinc/99/10/38/556991038.db2.gz UMXXMDYJBCUIJW-MRXNPFEDSA-N 0 0 429.439 1.980 50 0 IDAARN Cc1ccc2nc(COC(=O)[C@@H]3CSCN3S(=O)(=O)c3ccccc3)cc(=O)n2c1 ZINC000097124691 556991087 /nfs/dbraw/zinc/99/10/87/556991087.db2.gz QQQKZADRFYLEDX-KRWDZBQOSA-N 0 0 445.522 1.810 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2CCN2S(=O)(=O)c2ccccc2)c1 ZINC000097133799 556991361 /nfs/dbraw/zinc/99/13/61/556991361.db2.gz GBWHKKPARZDDJM-SFHVURJKSA-N 0 0 438.527 1.443 50 0 IDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cc(F)ccc1F)c(=O)n2C ZINC000020168555 556994226 /nfs/dbraw/zinc/99/42/26/556994226.db2.gz MXGAASFFXKPMCF-UHFFFAOYSA-N 0 0 432.383 1.497 50 0 IDAARN CCSc1ncc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cnc2n1 ZINC000020190973 556996324 /nfs/dbraw/zinc/99/63/24/556996324.db2.gz FOGXLVUOODBXPN-UHFFFAOYSA-N 0 0 428.493 1.786 50 0 IDAARN COCCn1c(CN(C)C[C@@H]2COc3ccccc3O2)cnc1S(=O)(=O)CC1CC1 ZINC000020208606 556998390 /nfs/dbraw/zinc/99/83/90/556998390.db2.gz NTFXQZIYTUQSCQ-GOSISDBHSA-N 0 0 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Cc1cc(C)nc(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 ZINC000032942896 557011880 /nfs/dbraw/zinc/01/18/80/557011880.db2.gz JNKIMLMXDJPELN-GOSISDBHSA-N 0 0 428.514 1.696 50 0 IDAARN O=C(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)N1CCO[C@@H](c2ccccc2)C1 ZINC000023127881 557012204 /nfs/dbraw/zinc/01/22/04/557012204.db2.gz QGWKJRBMXPJLLA-LJQANCHMSA-N 0 0 425.441 1.113 50 0 IDAARN Cc1ccc(OCC(=O)NCCNC(=O)c2nc(Cn3cc(Cl)cn3)no2)cc1C ZINC000020394874 557013374 /nfs/dbraw/zinc/01/33/74/557013374.db2.gz XFHJLKDCHHKJBF-UHFFFAOYSA-N 0 0 432.868 1.510 50 0 IDAARN Cc1cccc(NC(=O)Cn2c(=O)c3c(C(=O)N4CCCCC4)cc(C)nc3n(C)c2=O)c1 ZINC000020408246 557014115 /nfs/dbraw/zinc/01/41/15/557014115.db2.gz OUSWSNALTUWHNB-UHFFFAOYSA-N 0 0 449.511 1.977 50 0 IDAARN O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023134567 557017272 /nfs/dbraw/zinc/01/72/72/557017272.db2.gz AVCZWMNSNKWBDQ-UHFFFAOYSA-N 0 0 434.431 1.866 50 0 IDAARN COc1cccc(OC)c1C(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 ZINC000023134801 557017533 /nfs/dbraw/zinc/01/75/33/557017533.db2.gz UGBDTFQWSBNVRU-UHFFFAOYSA-N 0 0 444.442 1.916 50 0 IDAARN O=S(=O)(c1cccs1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 ZINC000023135089 557017911 /nfs/dbraw/zinc/01/79/11/557017911.db2.gz UXVWLQPXTACDKY-UHFFFAOYSA-N 0 0 426.474 1.509 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000010705000 557020058 /nfs/dbraw/zinc/02/00/58/557020058.db2.gz BZXZNEOSFXFBPI-SFHVURJKSA-N 0 0 445.516 1.683 50 0 IDAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)COc1cccc(C)c1)CC2 ZINC000010705461 557020287 /nfs/dbraw/zinc/02/02/87/557020287.db2.gz VQUHOPQYHGNSPA-UHFFFAOYSA-N 0 0 448.541 1.895 50 0 IDAARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000010717375 557020676 /nfs/dbraw/zinc/02/06/76/557020676.db2.gz BKOTVBMRORMQBT-UHFFFAOYSA-N 0 0 432.454 1.995 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)s1 ZINC000023141770 557023472 /nfs/dbraw/zinc/02/34/72/557023472.db2.gz STLHYVNHVCQOBU-UHFFFAOYSA-N 0 0 435.575 1.666 50 0 IDAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000010758921 557024562 /nfs/dbraw/zinc/02/45/62/557024562.db2.gz GOVAGBXSGVKAJC-KFCXZAFISA-N 0 0 443.500 1.347 50 0 IDAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)NC(=O)CO3)C2=O ZINC000010761967 557025331 /nfs/dbraw/zinc/02/53/31/557025331.db2.gz QTVDSTIGLFTFKV-LAJNKCICSA-N 0 0 429.429 1.244 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 ZINC000023144482 557026332 /nfs/dbraw/zinc/02/63/32/557026332.db2.gz WFLJJQAKYXYRPQ-UHFFFAOYSA-N 0 0 427.490 1.132 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(Br)o2)c(=O)n(C)c1=O ZINC000010802197 557028081 /nfs/dbraw/zinc/02/80/81/557028081.db2.gz OUJPRLXIXFLGNT-UHFFFAOYSA-N 0 0 428.239 1.180 50 0 IDAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCn2c3ccccc3n(C)c2=O)cc1 ZINC000010824397 557030823 /nfs/dbraw/zinc/03/08/23/557030823.db2.gz IDLYUYLYNIOIDX-UHFFFAOYSA-N 0 0 444.557 1.874 50 0 IDAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NC1CCCC1 ZINC000017192535 557037245 /nfs/dbraw/zinc/03/72/45/557037245.db2.gz CECPYRLCGABNSJ-UHFFFAOYSA-N 0 0 426.502 1.386 50 0 IDAARN COc1ccccc1CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(C)cc1 ZINC000046140753 557042036 /nfs/dbraw/zinc/04/20/36/557042036.db2.gz LQKZMQKICVHNPZ-UHFFFAOYSA-N 0 0 431.558 1.881 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000048235176 557046825 /nfs/dbraw/zinc/04/68/25/557046825.db2.gz BRENAUBTNUJQKD-GOSISDBHSA-N 0 0 426.502 1.055 50 0 IDAARN COc1ccc(F)cc1CN1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 ZINC000022921647 557047407 /nfs/dbraw/zinc/04/74/07/557047407.db2.gz HGVHUJYEONFNCU-UHFFFAOYSA-N 0 0 446.504 1.962 50 0 IDAARN O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000048261162 557049162 /nfs/dbraw/zinc/04/91/62/557049162.db2.gz QSTONYNQBWQLLC-GOSISDBHSA-N 0 0 426.502 1.522 50 0 IDAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022931828 557050544 /nfs/dbraw/zinc/05/05/44/557050544.db2.gz 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COc1cc(NC(=O)NCc2cccnc2-n2cncn2)c(C(=O)N(C)C)cc1OC ZINC000048276264 557056352 /nfs/dbraw/zinc/05/63/52/557056352.db2.gz ZCKDKKYNPLHKTO-UHFFFAOYSA-N 0 0 425.449 1.703 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CSc2nncn2C2CC2)CC1 ZINC000023008465 557057114 /nfs/dbraw/zinc/05/71/14/557057114.db2.gz OKOJEXWTXZQXCQ-UHFFFAOYSA-N 0 0 440.551 1.233 50 0 IDAARN CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c1)NC(=O)CCC2=O ZINC000033276668 557057400 /nfs/dbraw/zinc/05/74/00/557057400.db2.gz QHBIKPVMDYLICH-UHFFFAOYSA-N 0 0 445.545 1.730 50 0 IDAARN CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 ZINC000048279453 557057484 /nfs/dbraw/zinc/05/74/84/557057484.db2.gz KQBQCEDGAROUGJ-GOSISDBHSA-N 0 0 438.529 1.225 50 0 IDAARN COc1cc(Br)c(S(=O)(=O)NCCNC(=O)c2cccn2C)cc1OC ZINC000023025601 557058156 /nfs/dbraw/zinc/05/81/56/557058156.db2.gz ZYDUHHJHZILHJY-UHFFFAOYSA-N 0 0 446.323 1.513 50 0 IDAARN O=C(Nc1ccncc1)C1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC1 ZINC000048286236 557058140 /nfs/dbraw/zinc/05/81/40/557058140.db2.gz MYKRMQZARBEYGN-UHFFFAOYSA-N 0 0 430.896 1.853 50 0 IDAARN O=C(CCS(=O)(=O)C1CCCC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000048304384 557059319 /nfs/dbraw/zinc/05/93/19/557059319.db2.gz KFEQZXYLDMQSCX-UHFFFAOYSA-N 0 0 446.566 1.843 50 0 IDAARN COc1ccc(-n2ncc(C(=O)N3CCC[C@@H](c4nncn4C)C3)c2C(F)(F)F)nn1 ZINC000048299916 557061644 /nfs/dbraw/zinc/06/16/44/557061644.db2.gz JDIBGZFSGAAWKC-LLVKDONJSA-N 0 0 436.398 1.838 50 0 IDAARN Cc1cccc(N2CCN(CCNC(=O)c3nc(N4CCOCC4)ncc3Cl)CC2)c1 ZINC000048300018 557062039 /nfs/dbraw/zinc/06/20/39/557062039.db2.gz OBKKZHMBBALBFB-UHFFFAOYSA-N 0 0 444.967 1.827 50 0 IDAARN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000023078870 557062479 /nfs/dbraw/zinc/06/24/79/557062479.db2.gz QKQMXVUCZHOTHO-AWEZNQCLSA-N 0 0 441.488 1.436 50 0 IDAARN CN(CC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1 ZINC000048314852 557064738 /nfs/dbraw/zinc/06/47/38/557064738.db2.gz DFBMPFZCNSUIJM-UHFFFAOYSA-N 0 0 431.543 1.661 50 0 IDAARN COC(=O)c1cc(Cl)c(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1OC ZINC000048324117 557064970 /nfs/dbraw/zinc/06/49/70/557064970.db2.gz ZJLYNXWNFAVPQC-CXAGYDPISA-N 0 0 441.912 1.994 50 0 IDAARN Cc1ncc(CN(C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000048324002 557065060 /nfs/dbraw/zinc/06/50/60/557065060.db2.gz GVEOGNIIJCDYGZ-CQSZACIVSA-N 0 0 438.575 1.931 50 0 IDAARN CCCCN(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000023124234 557065140 /nfs/dbraw/zinc/06/51/40/557065140.db2.gz JQPBWXJXTCUKQH-AWEZNQCLSA-N 0 0 445.495 1.854 50 0 IDAARN O=C(NCc1cccnc1OCc1ccccc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000048324920 557065614 /nfs/dbraw/zinc/06/56/14/557065614.db2.gz KCFCDQHXGPOKMZ-OALUTQOASA-N 0 0 443.525 1.312 50 0 IDAARN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000048326216 557066995 /nfs/dbraw/zinc/06/69/95/557066995.db2.gz SHKBLGCSIDWVHT-LJQANCHMSA-N 0 0 430.484 1.002 50 0 IDAARN CCc1nc(CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2)cs1 ZINC000048313612 557067618 /nfs/dbraw/zinc/06/76/18/557067618.db2.gz WNRMBMMGUMACTM-UHFFFAOYSA-N 0 0 436.603 1.979 50 0 IDAARN O=C(NCc1cnc(-c2ccccc2)s1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000023153370 557069837 /nfs/dbraw/zinc/06/98/37/557069837.db2.gz ZKOBKBXKLNILJK-SFHVURJKSA-N 0 0 428.558 1.997 50 0 IDAARN O=C(CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1)N1CCCC1 ZINC000023178881 557070880 /nfs/dbraw/zinc/07/08/80/557070880.db2.gz RMMLMWUZLJKGJD-UHFFFAOYSA-N 0 0 442.947 1.930 50 0 IDAARN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000048354065 557072406 /nfs/dbraw/zinc/07/24/06/557072406.db2.gz DTIXJMTZCWRWGZ-KRWDZBQOSA-N 0 0 426.518 1.081 50 0 IDAARN NC(=O)Cn1c(C2CC2)nnc1S(=O)(=O)CC(=O)NCc1ccc(Cl)cc1Cl ZINC000048354453 557072670 /nfs/dbraw/zinc/07/26/70/557072670.db2.gz HKCHUOVPZOUJFW-UHFFFAOYSA-N 0 0 446.316 1.038 50 0 IDAARN O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000048365776 557074848 /nfs/dbraw/zinc/07/48/48/557074848.db2.gz 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1.863 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)CCc1ccccc1 ZINC000100876811 557195391 /nfs/dbraw/zinc/19/53/91/557195391.db2.gz PEJYJTCGRXEYEW-VZCXRCSSSA-N 0 0 433.511 1.583 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(C)cc1 ZINC000100877400 557195772 /nfs/dbraw/zinc/19/57/72/557195772.db2.gz PJGLHDJKWBKHDO-VZCXRCSSSA-N 0 0 433.511 1.963 50 0 IDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)[C@H]1COc2ccccc2O1 ZINC000100873033 557195972 /nfs/dbraw/zinc/19/59/72/557195972.db2.gz ADULVPJPCVFUPI-BSBNDGSWSA-N 0 0 449.510 1.264 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc([C@H]4CCCO4)o3)CC2)cc1 ZINC000010971673 557196891 /nfs/dbraw/zinc/19/68/91/557196891.db2.gz XFXFNVOIJFXMJJ-MRXNPFEDSA-N 0 0 436.490 1.969 50 0 IDAARN Cc1ccc(NC(=O)Cn2nc3c(S(=O)(=O)N4CCCCC4)cccn3c2=O)cc1 ZINC000096511500 557202291 /nfs/dbraw/zinc/20/22/91/557202291.db2.gz USRFQPJEOILUAS-UHFFFAOYSA-N 0 0 429.502 1.618 50 0 IDAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 ZINC000025286426 557202813 /nfs/dbraw/zinc/20/28/13/557202813.db2.gz LNJZOQFUHHJLRU-MRXNPFEDSA-N 0 0 435.527 1.395 50 0 IDAARN Cn1ncc2c1ncn(CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c2=O ZINC000025339554 557204825 /nfs/dbraw/zinc/20/48/25/557204825.db2.gz HSBDGLAXWGSSOI-UHFFFAOYSA-N 0 0 429.790 1.426 50 0 IDAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000025384691 557206572 /nfs/dbraw/zinc/20/65/72/557206572.db2.gz UZJINQSFPIPZLF-QGZVFWFLSA-N 0 0 437.543 1.589 50 0 IDAARN CN1C(=O)CO[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241356 557206639 /nfs/dbraw/zinc/20/66/39/557206639.db2.gz NYUVNWMAWSUDGE-RTBURBONSA-N 0 0 431.876 1.816 50 0 IDAARN CNS(=O)(=O)Cc1ccc(CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc1 ZINC000025403645 557208250 /nfs/dbraw/zinc/20/82/50/557208250.db2.gz LVVDIAZGVLLINS-UHFFFAOYSA-N 0 0 448.574 1.371 50 0 IDAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NCc1ccc(F)cc1 ZINC000025426155 557209339 /nfs/dbraw/zinc/20/93/39/557209339.db2.gz 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CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NCC(F)(F)F ZINC000025703212 557222712 /nfs/dbraw/zinc/22/27/12/557222712.db2.gz DLBCJDOVUHONOJ-UHFFFAOYSA-N 0 0 436.383 1.102 50 0 IDAARN Cc1nc2cc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)ccc2n1-c1ccccc1 ZINC000025738933 557223820 /nfs/dbraw/zinc/22/38/20/557223820.db2.gz WGLLVLQVVYCFBA-UHFFFAOYSA-N 0 0 427.530 1.898 50 0 IDAARN CC1CCN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000010794485 557224681 /nfs/dbraw/zinc/22/46/81/557224681.db2.gz NUYBAXNYHAOXBP-UHFFFAOYSA-N 0 0 444.937 1.776 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000025802094 557227159 /nfs/dbraw/zinc/22/71/59/557227159.db2.gz OVFCBCQOBIXZRU-CRAIPNDOSA-N 0 0 445.607 1.708 50 0 IDAARN Cc1cc(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)c(C)n1CC(F)(F)F ZINC000025825979 557227751 /nfs/dbraw/zinc/22/77/51/557227751.db2.gz OMGSWYYLCLVKIF-UHFFFAOYSA-N 0 0 425.411 1.963 50 0 IDAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000025877129 557229036 /nfs/dbraw/zinc/22/90/36/557229036.db2.gz FVTOTBUXEJYUIP-IBGZPJMESA-N 0 0 439.438 1.860 50 0 IDAARN NC(=O)Cn1c(CSc2nnc(-c3ccccc3Cl)n2N)nc2ccccc2c1=O ZINC000018035663 557231002 /nfs/dbraw/zinc/23/10/02/557231002.db2.gz XGPZQGABIGCPCK-UHFFFAOYSA-N 0 0 441.904 1.800 50 0 IDAARN COC(=O)C1CCN(C(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1 ZINC000011693262 557232161 /nfs/dbraw/zinc/23/21/61/557232161.db2.gz JANLTLXJBBMVCQ-UHFFFAOYSA-N 0 0 427.436 1.523 50 0 IDAARN O=C(CSCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1)N1CCCCC1 ZINC000026097676 557234225 /nfs/dbraw/zinc/23/42/25/557234225.db2.gz KBYUSPMJXBSATG-UHFFFAOYSA-N 0 0 439.603 1.702 50 0 IDAARN Cn1c2nc(C(F)(F)F)ccc2c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c1=O ZINC000026130502 557235740 /nfs/dbraw/zinc/23/57/40/557235740.db2.gz VEQGOIBXAPZBPU-UHFFFAOYSA-N 0 0 432.358 1.800 50 0 IDAARN Cc1cccc(CN2CCn3c(=O)n(CC(=O)NCCCc4ccccc4)nc3C2=O)c1 ZINC000098213154 557236296 /nfs/dbraw/zinc/23/62/96/557236296.db2.gz QDCPNYHTWCKFDA-UHFFFAOYSA-N 0 0 433.512 1.758 50 0 IDAARN COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 ZINC000098213076 557236325 /nfs/dbraw/zinc/23/63/25/557236325.db2.gz XCUXCMXXEOYEGB-UHFFFAOYSA-N 0 0 439.447 1.165 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)Nc1cc(F)ccc1F ZINC000098213093 557236327 /nfs/dbraw/zinc/23/63/27/557236327.db2.gz ZFRFKYNIJCEFPS-UHFFFAOYSA-N 0 0 431.374 1.757 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)Nc1ccc(F)c(F)c1 ZINC000098213210 557236594 /nfs/dbraw/zinc/23/65/94/557236594.db2.gz XQNUJOXTOPXBPH-UHFFFAOYSA-N 0 0 431.374 1.757 50 0 IDAARN COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1OC ZINC000026533991 557243536 /nfs/dbraw/zinc/24/35/36/557243536.db2.gz RFVRVAPRXUABPU-WOJGMQOQSA-N 0 0 425.441 1.806 50 0 IDAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 ZINC000026537588 557243868 /nfs/dbraw/zinc/24/38/68/557243868.db2.gz MUUMEZAMULNHNV-IBGZPJMESA-N 0 0 427.505 1.597 50 0 IDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2s1 ZINC000018186598 557246542 /nfs/dbraw/zinc/24/65/42/557246542.db2.gz VMIPUEDJWSBEJR-LBPRGKRZSA-N 0 0 427.573 1.540 50 0 IDAARN COc1ccccc1N1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000018182040 557246547 /nfs/dbraw/zinc/24/65/47/557246547.db2.gz RILGSHMZUBPZEM-UHFFFAOYSA-N 0 0 437.544 1.868 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(CCc4ccncc4)CC3)C2=O)cc1 ZINC000100204134 557247272 /nfs/dbraw/zinc/24/72/72/557247272.db2.gz FRZYLQAAEFSJLU-OAQYLSRUSA-N 0 0 436.512 1.751 50 0 IDAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCC(=O)NCc1ccco1 ZINC000026949140 557252133 /nfs/dbraw/zinc/25/21/33/557252133.db2.gz CZTUSMIZZXCKNE-UHFFFAOYSA-N 0 0 433.262 1.575 50 0 IDAARN O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000018248985 557254044 /nfs/dbraw/zinc/25/40/44/557254044.db2.gz BQAJPSUGKMRVNM-UHFFFAOYSA-N 0 0 445.328 1.224 50 0 IDAARN CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)s1 ZINC000390830503 557257043 /nfs/dbraw/zinc/25/70/43/557257043.db2.gz LMEPBMQTVVQTOM-KRWDZBQOSA-N 0 0 442.584 1.935 50 0 IDAARN O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CCCC1 ZINC000027266179 557259379 /nfs/dbraw/zinc/25/93/79/557259379.db2.gz URIIPNIYVNQFCP-UHFFFAOYSA-N 0 0 436.516 1.769 50 0 IDAARN O=C(NCCN1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1)c1ccco1 ZINC000027282747 557259785 /nfs/dbraw/zinc/25/97/85/557259785.db2.gz SSTALOWCFAUOOQ-UHFFFAOYSA-N 0 0 429.452 1.928 50 0 IDAARN O=c1occ(C[NH+]2CCSCC2)c([O-])c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000101372958 557278928 /nfs/dbraw/zinc/27/89/28/557278928.db2.gz LPCHFXFVGDGTLP-UHFFFAOYSA-N 0 0 431.440 1.520 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000101395647 557283404 /nfs/dbraw/zinc/28/34/04/557283404.db2.gz MKYIOBGSZDLCBX-CALCHBBNSA-N 0 0 444.513 1.437 50 0 IDAARN COc1ccc([C@H](CNc2c(=O)c(=O)c2N2CCN(C(C)=O)CC2)N2CCCC2)cc1 ZINC000101703548 557294169 /nfs/dbraw/zinc/29/41/69/557294169.db2.gz UREFVOYFDMBFFR-IBGZPJMESA-N 0 0 426.517 1.209 50 0 IDAARN C[C@@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1 ZINC000072306613 557294712 /nfs/dbraw/zinc/29/47/12/557294712.db2.gz UEMJKBZVKVZLFW-AUUYWEPGSA-N 0 0 440.338 1.001 50 0 IDAARN O=S(=O)(Nc1cccc(F)c1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031773037 557295504 /nfs/dbraw/zinc/29/55/04/557295504.db2.gz LWFQGBZZIYKJSL-INIZCTEOSA-N 0 0 433.504 1.587 50 0 IDAARN NC(=O)Cn1c(CSc2nnc(Cc3ccccc3F)n2N)nc2ccccc2c1=O ZINC000014074851 557296989 /nfs/dbraw/zinc/29/69/89/557296989.db2.gz WWXJTFDMWLQOKO-UHFFFAOYSA-N 0 0 439.476 1.209 50 0 IDAARN COCCCN(C(=O)C=Cc1ccc2c(c1)OCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013128076 557297154 /nfs/dbraw/zinc/29/71/54/557297154.db2.gz BYAXPKXZZQHKEW-SOFGYWHQSA-N 0 0 444.488 1.586 50 0 IDAARN Cc1ccc2c(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc(=O)oc2c1 ZINC000014076574 557299454 /nfs/dbraw/zinc/29/94/54/557299454.db2.gz USRMIIBHHZUEMB-CQSZACIVSA-N 0 0 432.454 1.310 50 0 IDAARN Cc1c(NC(=O)CSc2nnnn2C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C ZINC000014129357 557308175 /nfs/dbraw/zinc/30/81/75/557308175.db2.gz HSOUBEADZGMEFC-HNNXBMFYSA-N 0 0 429.506 1.381 50 0 IDAARN Cc1c(NC(=O)CSc2nnnn2C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C ZINC000014129358 557308204 /nfs/dbraw/zinc/30/82/04/557308204.db2.gz HSOUBEADZGMEFC-OAHLLOKOSA-N 0 0 429.506 1.381 50 0 IDAARN CCOC(=O)CN1C(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O ZINC000103128383 557313124 /nfs/dbraw/zinc/31/31/24/557313124.db2.gz KZLDWBSCYBHPAW-HDICACEKSA-N 0 0 425.393 1.370 50 0 IDAARN O=C(COC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCCc1cccs1 ZINC000023327829 557313515 /nfs/dbraw/zinc/31/35/15/557313515.db2.gz OBTOOZVYISTSJG-JOCHJYFZSA-N 0 0 441.509 1.734 50 0 IDAARN Cc1csc(=O)n1CCCC(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000032740729 557314609 /nfs/dbraw/zinc/31/46/09/557314609.db2.gz WXRRYVLFFBLITH-UHFFFAOYSA-N 0 0 440.543 1.763 50 0 IDAARN O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000102231550 557315134 /nfs/dbraw/zinc/31/51/34/557315134.db2.gz HOMGKHYGVFEQLI-OKILXGFUSA-N 0 0 448.273 1.675 50 0 IDAARN O=C(NCc1nc2ccccc2s1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000032755005 557315185 /nfs/dbraw/zinc/31/51/85/557315185.db2.gz NIVXFSFRWCYRMB-UHFFFAOYSA-N 0 0 430.511 1.347 50 0 IDAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000032809422 557315600 /nfs/dbraw/zinc/31/56/00/557315600.db2.gz DQPCKTLRIIIGOO-UHFFFAOYSA-N 0 0 437.522 1.092 50 0 IDAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)cnc21 ZINC000032926451 557318485 /nfs/dbraw/zinc/31/84/85/557318485.db2.gz MATCQKGTUMHWDJ-UHFFFAOYSA-N 0 0 439.447 1.278 50 0 IDAARN O=C(CCc1nc2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O)NC1CC1 ZINC000033141606 557325757 /nfs/dbraw/zinc/32/57/57/557325757.db2.gz LBTWPBUIXXEOBJ-UHFFFAOYSA-N 0 0 434.452 1.975 50 0 IDAARN C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 ZINC000014238079 557328003 /nfs/dbraw/zinc/32/80/03/557328003.db2.gz MQRDZQAXZCPWEZ-INIZCTEOSA-N 0 0 449.529 1.625 50 0 IDAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1N ZINC000014356584 557335450 /nfs/dbraw/zinc/33/54/50/557335450.db2.gz KXYALSFRWIUZLJ-UHFFFAOYSA-N 0 0 434.503 1.046 50 0 IDAARN C[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)NC1CCCC1 ZINC000060909241 557338329 /nfs/dbraw/zinc/33/83/29/557338329.db2.gz ZVNUEDVFLDRRJS-JTQLQIEISA-N 0 0 433.324 1.946 50 0 IDAARN Cc1ccc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1C ZINC000023593486 557367456 /nfs/dbraw/zinc/36/74/56/557367456.db2.gz AKULFDVFIHIFKS-UHFFFAOYSA-N 0 0 432.546 1.263 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)Nc1nc(-c3ccc(Cl)s3)cs1)c(=O)n2C ZINC000023682933 557371427 /nfs/dbraw/zinc/37/14/27/557371427.db2.gz BVTIKSPCVURARS-UHFFFAOYSA-N 0 0 436.906 1.911 50 0 IDAARN Cc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccco2)cc1 ZINC000100229909 557375624 /nfs/dbraw/zinc/37/56/24/557375624.db2.gz WILNNEXLSOHUSY-IBGZPJMESA-N 0 0 448.357 1.626 50 0 IDAARN O=S1(=O)CC[C@H](Cc2nc3ccccc3n2CN2CCN(c3ncccn3)CC2)C1 ZINC000023883426 557376764 /nfs/dbraw/zinc/37/67/64/557376764.db2.gz LSNSMACVATYTNP-QGZVFWFLSA-N 0 0 426.546 1.583 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc1 ZINC000011697431 557394956 /nfs/dbraw/zinc/39/49/56/557394956.db2.gz ANCHHFUKKGSSQO-UHFFFAOYSA-N 0 0 427.490 1.964 50 0 IDAARN CCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2C)s1 ZINC000013844057 557395314 /nfs/dbraw/zinc/39/53/14/557395314.db2.gz QTUPYBWEZUNKJY-UHFFFAOYSA-N 0 0 447.546 1.898 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSCC(=O)N=c2sc3ccccc3n2C)CC1 ZINC000100290797 557398220 /nfs/dbraw/zinc/39/82/20/557398220.db2.gz IPPICVQUJGDJOR-ZZEZOPTASA-N 0 0 436.559 1.701 50 0 IDAARN COc1ccc(OC)c(CNc2nc3nc(=O)n(-c4ccc5c(c4)OCO5)c(=O)c-3c[nH]2)c1 ZINC000102911767 557411933 /nfs/dbraw/zinc/41/19/33/557411933.db2.gz RNHOUXYCSCJJAF-UHFFFAOYSA-N 0 0 449.423 1.827 50 0 IDAARN CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)c3oc(C)nc3C)c2)CC1 ZINC000408521017 557413339 /nfs/dbraw/zinc/41/33/39/557413339.db2.gz FRVLTWOOPAEYCZ-QGZVFWFLSA-N 0 0 436.534 1.621 50 0 IDAARN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000024528101 557439793 /nfs/dbraw/zinc/43/97/93/557439793.db2.gz MIDVCVLLAMILID-UHFFFAOYSA-N 0 0 426.926 1.163 50 0 IDAARN Cn1ncc2c1ncnc2N1CCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000014813309 557458293 /nfs/dbraw/zinc/45/82/93/557458293.db2.gz BMNORUWPJVSQTD-UHFFFAOYSA-N 0 0 431.403 1.446 50 0 IDAARN C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000105349112 557495695 /nfs/dbraw/zinc/49/56/95/557495695.db2.gz BBRJAESPJYCZMT-BYWWRHNPSA-N 0 0 427.407 1.266 50 0 IDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@@]21C(=O)Nc2c1cccc2C ZINC000105377009 557496683 /nfs/dbraw/zinc/49/66/83/557496683.db2.gz PPCAFGJIMNCBIO-MGXIVBFVSA-N 0 0 435.480 1.305 50 0 biogenic IDAARN Cc1ccc2c(c1)[C@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000105380439 557496938 /nfs/dbraw/zinc/49/69/38/557496938.db2.gz FJRWKXNZDUURGR-LPUYTWIDSA-N 0 0 449.463 1.025 50 0 biogenic IDAARN CCn1cc([C@H]2C(C(=O)Nc3ccc(S(N)(=O)=O)cc3)=C(C)Nc3ncnn32)cn1 ZINC000036621277 557517024 /nfs/dbraw/zinc/51/70/24/557517024.db2.gz NZRPLMMCVUIVHR-INIZCTEOSA-N 0 0 428.478 1.070 50 0 IDAARN COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000106187104 557521594 /nfs/dbraw/zinc/52/15/94/557521594.db2.gz BZFLVNVYPHVOLG-JKIFEVAISA-N 0 0 425.507 1.654 50 0 IDAARN COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012030698 557523936 /nfs/dbraw/zinc/52/39/36/557523936.db2.gz BAYWUIRWFNGNFG-OAHLLOKOSA-N 0 0 437.495 1.686 50 0 IDAARN O=C(NCc1ccccc1F)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031049 557524104 /nfs/dbraw/zinc/52/41/04/557524104.db2.gz ALSSIZLQLHIIKF-AWEZNQCLSA-N 0 0 429.466 1.856 50 0 IDAARN O=C(NCCc1ccccc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031118 557524221 /nfs/dbraw/zinc/52/42/21/557524221.db2.gz CTHAPAYJCZOFNI-MRXNPFEDSA-N 0 0 425.503 1.759 50 0 IDAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029919 557525150 /nfs/dbraw/zinc/52/51/50/557525150.db2.gz GUDVLUAJTNHNPU-INIZCTEOSA-N 0 0 437.495 1.671 50 0 IDAARN CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000107540032 557536192 /nfs/dbraw/zinc/53/61/92/557536192.db2.gz RKYINZCAYGIIIB-PXNSSMCTSA-N 0 0 438.571 1.251 50 0 IDAARN O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000108479365 557543084 /nfs/dbraw/zinc/54/30/84/557543084.db2.gz VKTYFABUADBNOK-WCXIOVBPSA-N 0 0 432.464 1.111 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000108879036 557543993 /nfs/dbraw/zinc/54/39/93/557543993.db2.gz FAERPQIMQZYLND-UXLLHSPISA-N 0 0 438.546 1.994 50 0 IDAARN CCCn1c2nnc(CCC(=O)N3CCN(C(=O)OCC)CC3)n2c2ccsc2c1=O ZINC000045895888 557546778 /nfs/dbraw/zinc/54/67/78/557546778.db2.gz DDLAAFCAIMHHPR-UHFFFAOYSA-N 0 0 446.533 1.749 50 0 IDAARN Cc1ccc(CNC(=O)c2nc(-c3nn(-c4ccc(F)cc4)c(=O)n(C)c3=O)no2)cc1 ZINC000045946152 557550758 /nfs/dbraw/zinc/55/07/58/557550758.db2.gz JNBLLZQSDMPBJK-UHFFFAOYSA-N 0 0 436.403 1.359 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCc3cccc(OC)c3)n2)nn(-c2ccccc2)c1=O ZINC000045945645 557553841 /nfs/dbraw/zinc/55/38/41/557553841.db2.gz FJVQWVYAQFSRJE-UHFFFAOYSA-N 0 0 448.439 1.403 50 0 IDAARN Cn1c(=O)c(-c2noc(C(=O)NCc3cccc(Cl)c3)n2)nn(-c2ccccc2)c1=O ZINC000045945816 557554305 /nfs/dbraw/zinc/55/43/05/557554305.db2.gz NJVBIXCXLBGRGH-UHFFFAOYSA-N 0 0 438.831 1.565 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 ZINC000045970410 557557790 /nfs/dbraw/zinc/55/77/90/557557790.db2.gz VGHXDADXMGOVSX-UHFFFAOYSA-N 0 0 431.474 1.346 50 0 IDAARN NC(=O)CCN(C(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccccc1 ZINC000040012714 557674808 /nfs/dbraw/zinc/67/48/08/557674808.db2.gz UQALCXIQFUSDOZ-MRXNPFEDSA-N 0 0 440.525 1.756 50 0 IDAARN O=C(NCc1cccnc1-n1cncn1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000040108916 557700863 /nfs/dbraw/zinc/70/08/63/557700863.db2.gz MNZIANZTJWUMJI-GOSISDBHSA-N 0 0 426.502 1.522 50 0 IDAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(N3CCNC3=O)CC1)C2=O ZINC000040156034 557706401 /nfs/dbraw/zinc/70/64/01/557706401.db2.gz HGGADINORZISII-UHFFFAOYSA-N 0 0 447.580 1.920 50 0 IDAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCc2noc(C(F)(F)F)n2)cc1 ZINC000225390045 557717569 /nfs/dbraw/zinc/71/75/69/557717569.db2.gz DIIJWWYOHYQWMX-UHFFFAOYSA-N 0 0 432.302 1.859 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000225393180 557718136 /nfs/dbraw/zinc/71/81/36/557718136.db2.gz MVNMSHMGGHQQSH-LJQANCHMSA-N 0 0 430.526 1.621 50 0 IDAARN CNC(=O)[C@H]1CCCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000225515926 557733476 /nfs/dbraw/zinc/73/34/76/557733476.db2.gz XIBAYAZWWRYLCC-MRXNPFEDSA-N 0 0 438.550 1.019 50 0 IDAARN Cc1cc(C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)ccc1I ZINC000225555057 557741641 /nfs/dbraw/zinc/74/16/41/557741641.db2.gz ULLQVZWLUMXYQK-UHFFFAOYSA-N 0 0 439.257 1.228 50 0 IDAARN O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000225564236 557743074 /nfs/dbraw/zinc/74/30/74/557743074.db2.gz XLGHAVPBTNDTNS-GOSISDBHSA-N 0 0 433.516 1.889 50 0 IDAARN CCN1CCN(c2nc3ncn(C[C@H](O)COCc4cccs4)c(=O)c3s2)CC1 ZINC000225660237 557758634 /nfs/dbraw/zinc/75/86/34/557758634.db2.gz UPLKFTSPQWPUCT-AWEZNQCLSA-N 0 0 435.575 1.634 50 0 IDAARN CNS(=O)(=O)c1ccc(CNC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)s1 ZINC000225702888 557766718 /nfs/dbraw/zinc/76/67/18/557766718.db2.gz RSTHJRNJHZBGSQ-CQSZACIVSA-N 0 0 425.429 1.828 50 0 IDAARN O=C(CS(=O)(=O)CCCc1ccccc1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000225716000 557767748 /nfs/dbraw/zinc/76/77/48/557767748.db2.gz NTZKIZAEBWSRBM-SFHVURJKSA-N 0 0 428.576 1.061 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000018708841 557855631 /nfs/dbraw/zinc/85/56/31/557855631.db2.gz LXNYAPRHCRWOLZ-IBGZPJMESA-N 0 0 446.504 1.640 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CCCCC1 ZINC000001839652 562924807 /nfs/dbraw/zinc/92/48/07/562924807.db2.gz TXDFOUIIROWEGL-SFHVURJKSA-N 0 0 440.378 1.584 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1ccco1 ZINC000001850655 562924877 /nfs/dbraw/zinc/92/48/77/562924877.db2.gz YHAKEZYKRBCBMA-GOSISDBHSA-N 0 0 434.330 1.730 50 0 IDAARN Cc1nnc(SCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 ZINC000001899370 562925307 /nfs/dbraw/zinc/92/53/07/562925307.db2.gz QHVSFWPACQAEFF-GHMZBOCLSA-N 0 0 435.579 1.858 50 0 IDAARN COC(=O)Cn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002228975 562926490 /nfs/dbraw/zinc/92/64/90/562926490.db2.gz BCWYUYNEIBXTKY-UHFFFAOYSA-N 0 0 439.516 1.061 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c(=O)n(C)c1=O ZINC000002630271 562928854 /nfs/dbraw/zinc/92/88/54/562928854.db2.gz SCKSPZIFQBYSHW-UHFFFAOYSA-N 0 0 429.260 1.527 50 0 IDAARN O=C(CNC(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002640504 562929058 /nfs/dbraw/zinc/92/90/58/562929058.db2.gz JUMHTEYLBUNMQE-UHFFFAOYSA-N 0 0 427.935 1.664 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000002655870 562929455 /nfs/dbraw/zinc/92/94/55/562929455.db2.gz KRDLHPARORNGKN-UHFFFAOYSA-N 0 0 432.454 1.373 50 0 IDAARN CC[C@@H](Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)NC[C@@H]1CCCO1 ZINC000003018543 562931649 /nfs/dbraw/zinc/93/16/49/562931649.db2.gz CCAAADZVMYHQNU-WDEREUQCSA-N 0 0 440.547 1.433 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000002990887 562931527 /nfs/dbraw/zinc/93/15/27/562931527.db2.gz AHFDFGMIRNCNLD-UHFFFAOYSA-N 0 0 427.276 1.793 50 0 IDAARN CC(C)N(C(=O)NC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O ZINC000003166173 562932564 /nfs/dbraw/zinc/93/25/64/562932564.db2.gz AXDSVDHRANNEOJ-UHFFFAOYSA-N 0 0 432.524 1.383 50 0 IDAARN COCc1c2ccccc2oc1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000003170493 562932573 /nfs/dbraw/zinc/93/25/73/562932573.db2.gz SBRAQCNVJDHXJG-UHFFFAOYSA-N 0 0 443.456 1.718 50 0 IDAARN O=C(NC[C@@H]1CCCO1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003211101 562932780 /nfs/dbraw/zinc/93/27/80/562932780.db2.gz OEIHPIFQEKJGTJ-ZDUSSCGKSA-N 0 0 433.324 1.379 50 0 IDAARN O=C(NC[C@H]1CCCO1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003211100 562932795 /nfs/dbraw/zinc/93/27/95/562932795.db2.gz OEIHPIFQEKJGTJ-CYBMUJFWSA-N 0 0 433.324 1.379 50 0 IDAARN Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000003246806 562933275 /nfs/dbraw/zinc/93/32/75/562933275.db2.gz XPUKSQLMFFCFSM-UHFFFAOYSA-N 0 0 432.498 1.489 50 0 IDAARN C[C@@H](OC(=O)CCc1nc(=O)c2ccccc2n1C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003303421 562933999 /nfs/dbraw/zinc/93/39/99/562933999.db2.gz CEKPIULGSSGDBI-CQSZACIVSA-N 0 0 437.452 1.843 50 0 IDAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000003323406 562934224 /nfs/dbraw/zinc/93/42/24/562934224.db2.gz HAKNZSWFCODFKD-OAHLLOKOSA-N 0 0 426.491 1.324 50 0 IDAARN CCOc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000003341455 562934447 /nfs/dbraw/zinc/93/44/47/562934447.db2.gz ARWJUQRYIPOADG-UHFFFAOYSA-N 0 0 448.497 1.902 50 0 IDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccccc2F)c(=O)[nH]c1=O ZINC000003345950 562934562 /nfs/dbraw/zinc/93/45/62/562934562.db2.gz GSHQSHZXEXNSBG-UHFFFAOYSA-N 0 0 426.448 1.680 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000003348354 562934589 /nfs/dbraw/zinc/93/45/89/562934589.db2.gz MBFNGCXCVRIWMO-UHFFFAOYSA-N 0 0 429.498 1.650 50 0 IDAARN CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NCc3ccco3)nc(C3CC3)nc21 ZINC000003353440 562934675 /nfs/dbraw/zinc/93/46/75/562934675.db2.gz CUWJXUKWMACTNH-UHFFFAOYSA-N 0 0 429.502 1.779 50 0 IDAARN Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(=O)n(C)c1=O ZINC000003360819 562934835 /nfs/dbraw/zinc/93/48/35/562934835.db2.gz NLTYVMITVDBBOT-UHFFFAOYSA-N 0 0 430.465 1.374 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000003405946 562935267 /nfs/dbraw/zinc/93/52/67/562935267.db2.gz MIDKZVBYMXFTKG-UHFFFAOYSA-N 0 0 430.461 1.069 50 0 IDAARN COc1cc(C(=O)NCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000003416520 562935469 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IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000003503112 562936362 /nfs/dbraw/zinc/93/63/62/562936362.db2.gz SIKXHPZTYFSRNR-OAQYLSRUSA-N 0 0 427.413 1.838 50 0 aggregator IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1cccnc1 ZINC000004034519 562940892 /nfs/dbraw/zinc/94/08/92/562940892.db2.gz SKZVVACTUGSLKY-UHFFFAOYSA-N 0 0 446.554 1.848 50 0 IDAARN CC(C)CN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)[C@H]1CCS(=O)(=O)C1 ZINC000004195274 562942627 /nfs/dbraw/zinc/94/26/27/562942627.db2.gz JNJYCOLZGWHBNO-AWEZNQCLSA-N 0 0 440.543 1.559 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1 ZINC000004291509 562943042 /nfs/dbraw/zinc/94/30/42/562943042.db2.gz RVTRMQCELGOSMW-ZBFHGGJFSA-N 0 0 425.507 1.561 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000006499041 562946983 /nfs/dbraw/zinc/94/69/83/562946983.db2.gz QXPDDJLKCHUTBD-WMZOPIPTSA-N 0 0 437.562 1.196 50 0 IDAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCCC1 ZINC000006577010 562947415 /nfs/dbraw/zinc/94/74/15/562947415.db2.gz AITDWBCAVYKSFG-UHFFFAOYSA-N 0 0 426.502 1.339 50 0 aggregator IDAARN CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1 ZINC000006578191 562948075 /nfs/dbraw/zinc/94/80/75/562948075.db2.gz KTCDLRSNASOVQY-NSHDSACASA-N 0 0 431.474 1.287 50 0 aggregator IDAARN CCOC(=O)N1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000007058371 562948629 /nfs/dbraw/zinc/94/86/29/562948629.db2.gz XUPYAENQOMYZOY-SFHVURJKSA-N 0 0 425.551 1.989 50 0 IDAARN COC(=O)[C@H](C)Sc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1 ZINC000008589447 562951194 /nfs/dbraw/zinc/95/11/94/562951194.db2.gz CAZFNQFZFXMJCI-ZDUSSCGKSA-N 0 0 435.531 1.607 50 0 IDAARN COc1ccc(OC)c(CNC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)c1 ZINC000008598751 562954441 /nfs/dbraw/zinc/95/44/41/562954441.db2.gz NVYMPAHXJYHRDI-UHFFFAOYSA-N 0 0 440.500 1.515 50 0 IDAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000008601891 562955672 /nfs/dbraw/zinc/95/56/72/562955672.db2.gz DDQFDWGKOIWYLA-UHFFFAOYSA-N 0 0 444.513 1.943 50 0 IDAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1ccccc1 ZINC000008603772 562956087 /nfs/dbraw/zinc/95/60/87/562956087.db2.gz KIMSLNYTKCXOPA-INIZCTEOSA-N 0 0 449.554 1.848 50 0 IDAARN CCOC(=O)Cn1c(=O)n(C[C@@H]2CCCO2)c2nc(-c3ccc(C)cc3)nc(C(N)=O)c21 ZINC000008610559 562958215 /nfs/dbraw/zinc/95/82/15/562958215.db2.gz VVIWMCZUYBSXHB-HNNXBMFYSA-N 0 0 439.472 1.409 50 0 IDAARN CCOC(=O)Cn1c(=O)n(C[C@@H]2CCCO2)c2nc(-c3cccc(C)c3)nc(C(N)=O)c21 ZINC000008610635 562958246 /nfs/dbraw/zinc/95/82/46/562958246.db2.gz OLEQHFQLARXIOO-HNNXBMFYSA-N 0 0 439.472 1.409 50 0 IDAARN CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1OC ZINC000008614426 562959630 /nfs/dbraw/zinc/95/96/30/562959630.db2.gz OWPUZFPGIOIAMR-UHFFFAOYSA-N 0 0 436.534 1.545 50 0 IDAARN Cn1c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2n(C)c(=O)c1=O ZINC000008670840 562960778 /nfs/dbraw/zinc/96/07/78/562960778.db2.gz OJBJXNNPHKHPBT-UHFFFAOYSA-N 0 0 429.376 1.937 50 0 IDAARN Cn1ccnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000008686215 562962705 /nfs/dbraw/zinc/96/27/05/562962705.db2.gz KFVUNSOWZUZESI-UHFFFAOYSA-N 0 0 430.939 1.825 50 0 IDAARN COCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)c(OC)c2)n(C)c1=O ZINC000008724519 562963798 /nfs/dbraw/zinc/96/37/98/562963798.db2.gz RCPNZVOGYJXEOE-UHFFFAOYSA-N 0 0 443.504 1.013 50 0 IDAARN Cc1nn(S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000008754978 562963897 /nfs/dbraw/zinc/96/38/97/562963897.db2.gz XPJNHPRHZYGACS-UHFFFAOYSA-N 0 0 427.548 1.881 50 0 IDAARN Cc1nn2c(nc(COC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2=O)s1 ZINC000008829641 562964695 /nfs/dbraw/zinc/96/46/95/562964695.db2.gz YWMRSPAWUWXKJU-UHFFFAOYSA-N 0 0 448.526 1.991 50 0 IDAARN O=C(NCc1cccs1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000008830353 562964780 /nfs/dbraw/zinc/96/47/80/562964780.db2.gz SCQMADNEAMOKTQ-MRXNPFEDSA-N 0 0 441.506 1.057 50 0 IDAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008883667 562965731 /nfs/dbraw/zinc/96/57/31/562965731.db2.gz WKZCNINEHABHPS-UHFFFAOYSA-N 0 0 442.497 1.515 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCOCCOCCOCC2)cc1 ZINC000009019068 562966574 /nfs/dbraw/zinc/96/65/74/562966574.db2.gz WDMGFORRILPKQD-HXUWFJFHSA-N 0 0 442.578 1.580 50 0 IDAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1 ZINC000009139229 562967771 /nfs/dbraw/zinc/96/77/71/562967771.db2.gz RUIMNHZWFBZVJR-INIZCTEOSA-N 0 0 444.509 1.842 50 0 IDAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccccn1 ZINC000009411104 562970304 /nfs/dbraw/zinc/97/03/04/562970304.db2.gz XXJIKXVOXAPFPQ-INIZCTEOSA-N 0 0 430.530 1.303 50 0 IDAARN CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1CC1 ZINC000009410134 562970308 /nfs/dbraw/zinc/97/03/08/562970308.db2.gz QKWNQVKCWSOULY-SFHVURJKSA-N 0 0 439.603 1.604 50 0 IDAARN CCn1cc(C(=O)N[C@H](C(=O)NCCCOC)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000009410448 562970336 /nfs/dbraw/zinc/97/03/36/562970336.db2.gz XBMMBMOOBWUAAB-IBGZPJMESA-N 0 0 431.489 1.657 50 0 IDAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000009432356 562970779 /nfs/dbraw/zinc/97/07/79/562970779.db2.gz UZOBORXPVDONED-UHFFFAOYSA-N 0 0 447.488 1.874 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NC3CCCC3)CC2)cc1 ZINC000009435292 562971006 /nfs/dbraw/zinc/97/10/06/562971006.db2.gz HXUHDNVMGWXLHC-HNNXBMFYSA-N 0 0 437.562 1.659 50 0 IDAARN Nn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1C1CCCCC1 ZINC000009442729 562971215 /nfs/dbraw/zinc/97/12/15/562971215.db2.gz WSTAKWHTSXQYJN-UHFFFAOYSA-N 0 0 438.579 1.138 50 0 IDAARN CC(C)CN(C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009491993 562972070 /nfs/dbraw/zinc/97/20/70/562972070.db2.gz XKLPUZYVZKWIDC-INIZCTEOSA-N 0 0 444.937 1.285 50 0 IDAARN Cc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1 ZINC000009508223 562972526 /nfs/dbraw/zinc/97/25/26/562972526.db2.gz GYVUKNWZPVKFLA-UHFFFAOYSA-N 0 0 428.561 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0 448.545 1.869 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccc(C)cc3)n2)CC1 ZINC000085654458 568832792 /nfs/dbraw/zinc/83/27/92/568832792.db2.gz LOUJSHLWBOBWNN-UHFFFAOYSA-N 0 0 429.502 1.657 50 0 IDAARN CCn1c2ccccc2n(CC(=O)NCCc2cc(OC)c(OC)c(OC)c2)c(=O)c1=O ZINC000015787122 568836818 /nfs/dbraw/zinc/83/68/18/568836818.db2.gz LXIXGBOZLROEOP-UHFFFAOYSA-N 0 0 441.484 1.568 50 0 IDAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000015824245 568840432 /nfs/dbraw/zinc/84/04/32/568840432.db2.gz IAYBQAIPRVSOKX-UHFFFAOYSA-N 0 0 429.462 1.022 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)NCCC(=O)Nc2ccc(OC)c(Cl)c2)cn1C ZINC000015861114 568848046 /nfs/dbraw/zinc/84/80/46/568848046.db2.gz JVQJLWIDLQLFBM-UHFFFAOYSA-N 0 0 429.882 1.781 50 0 IDAARN O=C(NCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1)c1cccs1 ZINC000015863965 568849550 /nfs/dbraw/zinc/84/95/50/568849550.db2.gz CRSYKHKWDZPZLT-UHFFFAOYSA-N 0 0 434.499 1.749 50 0 IDAARN COc1ccccc1OCC(=O)NCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000015881649 568856007 /nfs/dbraw/zinc/85/60/07/568856007.db2.gz VFFQDGKCVLSCII-UHFFFAOYSA-N 0 0 447.557 1.505 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(C)c1 ZINC000015882338 568856310 /nfs/dbraw/zinc/85/63/10/568856310.db2.gz YWPXYZWJJRMUCJ-UHFFFAOYSA-N 0 0 431.562 1.749 50 0 IDAARN Cc1ccc([C@H](CN2CCOCC2)NCc2nc3ccccc3c(=O)n2CC(N)=O)cc1 ZINC000049592410 568856482 /nfs/dbraw/zinc/85/64/82/568856482.db2.gz PDYIOYVYHGODSI-NRFANRHFSA-N 0 0 435.528 1.353 50 0 IDAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000015883408 568857571 /nfs/dbraw/zinc/85/75/71/568857571.db2.gz KNZOSOZGPHKCOQ-UHFFFAOYSA-N 0 0 442.497 1.697 50 0 IDAARN CCOc1ccccc1NC(=O)CSc1c(COC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000015883770 568857902 /nfs/dbraw/zinc/85/79/02/568857902.db2.gz GUGNEYJTGVNPEA-UHFFFAOYSA-N 0 0 444.513 1.908 50 0 IDAARN O=S(=O)(c1cccs1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000015884160 568858111 /nfs/dbraw/zinc/85/81/11/568858111.db2.gz SQQGHKLQNIOMRB-UHFFFAOYSA-N 0 0 445.505 1.922 50 0 IDAARN Cc1nnc2c(N3CC[C@@H](NS(=O)(=O)c4ccccc4OC(F)(F)F)C3)nccn12 ZINC000575414557 568862304 /nfs/dbraw/zinc/86/23/04/568862304.db2.gz KHIQPWSBAQEQLL-GFCCVEGCSA-N 0 0 442.423 1.889 50 0 IDAARN Cn1cnnc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000012936767 568866181 /nfs/dbraw/zinc/86/61/81/568866181.db2.gz NUMHXCXRCQOJAP-JTQLQIEISA-N 0 0 448.368 1.356 50 0 IDAARN Cn1cnnc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000012936761 568866190 /nfs/dbraw/zinc/86/61/90/568866190.db2.gz NUMHXCXRCQOJAP-SNVBAGLBSA-N 0 0 448.368 1.356 50 0 IDAARN CCCCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012952808 568872323 /nfs/dbraw/zinc/87/23/23/568872323.db2.gz DSIOYXPFZFQZTD-UHFFFAOYSA-N 0 0 444.985 1.021 50 0 IDAARN O=c1c(Cl)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cnn1-c1nc2ccccc2[nH]1 ZINC000053517407 568876670 /nfs/dbraw/zinc/87/66/70/568876670.db2.gz YDTHAWUMFNPCSD-ZDUSSCGKSA-N 0 0 448.936 1.071 50 0 IDAARN NC(=O)Cn1c(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)nc2ccccc2c1=O ZINC000053517404 568876681 /nfs/dbraw/zinc/87/66/81/568876681.db2.gz HJVXHNAERXUXKN-UHFFFAOYSA-N 0 0 432.484 1.362 50 0 IDAARN CN(C)c1nc(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)nc(N2CCCCC2)n1 ZINC000575606743 568877999 /nfs/dbraw/zinc/87/79/99/568877999.db2.gz LEWGVEKCCHFMLV-UHFFFAOYSA-N 0 0 442.549 1.592 50 0 IDAARN CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(c4cc(-n5cncn5)ncn4)C3)nc21 ZINC000575607212 568878208 /nfs/dbraw/zinc/87/82/08/568878208.db2.gz AVDLYTVVKUMHRY-LBPRGKRZSA-N 0 0 440.489 1.182 50 0 IDAARN CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CN(c4cc(-n5cncn5)ncn4)C3)nc21 ZINC000575607192 568878212 /nfs/dbraw/zinc/87/82/12/568878212.db2.gz AVDLYTVVKUMHRY-GFCCVEGCSA-N 0 0 440.489 1.182 50 0 IDAARN COc1nc(CNS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)nc(N2CCOCC2)n1 ZINC000575606749 568878229 /nfs/dbraw/zinc/87/82/29/568878229.db2.gz LFPCUDFIVDYLEP-UHFFFAOYSA-N 0 0 446.489 1.159 50 0 IDAARN Cc1nnc2c(N3CC[C@@H](NC(=O)[C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)C3)nccn12 ZINC000575608402 568878389 /nfs/dbraw/zinc/87/83/89/568878389.db2.gz SLDYDUVHKWUFBX-QZTJIDSGSA-N 0 0 433.516 1.798 50 0 IDAARN O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(Cn2ccnc2)cc1 ZINC000575608685 568878399 /nfs/dbraw/zinc/87/83/99/568878399.db2.gz XRZFZABYVBKNAB-UHFFFAOYSA-N 0 0 448.531 1.483 50 0 IDAARN O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)Nc1ccc2c(c1)OCCO2 ZINC000575608551 568878422 /nfs/dbraw/zinc/87/84/22/568878422.db2.gz VFSGJCDBGCVWMC-UHFFFAOYSA-N 0 0 441.492 1.401 50 0 IDAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3nc(N(C)C)nc(N(C)C)n3)n(C)n2)c1 ZINC000575608871 568878607 /nfs/dbraw/zinc/87/86/07/568878607.db2.gz YWDSTGIZPGGHEH-UHFFFAOYSA-N 0 0 440.508 1.351 50 0 IDAARN Cn1cc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)cn1 ZINC000575614900 568881108 /nfs/dbraw/zinc/88/11/08/568881108.db2.gz AJNICTZRFWTUSK-UHFFFAOYSA-N 0 0 441.513 1.433 50 0 IDAARN Cn1c(=O)n(C2CCN(S(=O)(=O)Cc3noc4ccccc43)CC2)nc1C(F)(F)F ZINC000575616653 568881467 /nfs/dbraw/zinc/88/14/67/568881467.db2.gz WCNFMWHQIYRTIW-UHFFFAOYSA-N 0 0 445.423 1.909 50 0 IDAARN Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN(S(=O)(=O)N(C)C)CC3)cc2)co1 ZINC000575616000 568881476 /nfs/dbraw/zinc/88/14/76/568881476.db2.gz NBOHVWCTDPROEP-UHFFFAOYSA-N 0 0 442.563 1.447 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)cn1C ZINC000035478342 568882826 /nfs/dbraw/zinc/88/28/26/568882826.db2.gz SMKQGGMVGPQPGE-OAHLLOKOSA-N 0 0 449.485 1.375 50 0 IDAARN O=C(NCc1cncc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000575620187 568882993 /nfs/dbraw/zinc/88/29/93/568882993.db2.gz REIJUZMUGBSSLM-UHFFFAOYSA-N 0 0 444.513 1.159 50 0 IDAARN Cc1ccc(N2CC[C@H](C(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)C2=O)cc1C ZINC000229622667 568886718 /nfs/dbraw/zinc/88/67/18/568886718.db2.gz YZHSELVGBSVPHN-JENIJYKNSA-N 0 0 437.562 1.212 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(-c3noc(C)n3)cn2)CC1 ZINC000090558849 568887713 /nfs/dbraw/zinc/88/77/13/568887713.db2.gz SUTSJYPCZDKBPC-UHFFFAOYSA-N 0 0 449.514 1.799 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(c2ncc3c(n2)[nH]c(=O)n(Cc2ccccc2F)c3=O)C1 ZINC000090591755 568888547 /nfs/dbraw/zinc/88/85/47/568888547.db2.gz QEOKIUITGBVVQS-CQSZACIVSA-N 0 0 427.436 1.447 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000012973001 568889395 /nfs/dbraw/zinc/88/93/95/568889395.db2.gz HGBQMYPTDYXINH-LAUBAEHRSA-N 0 0 433.530 1.108 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000012972995 568889412 /nfs/dbraw/zinc/88/94/12/568889412.db2.gz HGBQMYPTDYXINH-UTKZUKDTSA-N 0 0 433.530 1.108 50 0 IDAARN Cn1cc(-c2ccco2)nc1CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000090606992 568889695 /nfs/dbraw/zinc/88/96/95/568889695.db2.gz JZUVLOJXJWJIPT-UHFFFAOYSA-N 0 0 444.513 1.674 50 0 IDAARN Cn1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1-c1ccncc1 ZINC000090607102 568889799 /nfs/dbraw/zinc/88/97/99/568889799.db2.gz VBDYGWIBYOIMIM-UHFFFAOYSA-N 0 0 441.513 1.433 50 0 IDAARN Cn1c(SCC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)nnc1C1CC1 ZINC000012974429 568889897 /nfs/dbraw/zinc/88/98/97/568889897.db2.gz XNNGSQCHOLZYIR-HXUWFJFHSA-N 0 0 428.518 1.759 50 0 IDAARN COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012980472 568893704 /nfs/dbraw/zinc/89/37/04/568893704.db2.gz WIUGOCCTAIZCRR-CQSZACIVSA-N 0 0 448.545 1.411 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000006407097 568894297 /nfs/dbraw/zinc/89/42/97/568894297.db2.gz YLTPHUYLFILXBM-KRWDZBQOSA-N 0 0 441.532 1.927 50 0 IDAARN COCCNC(=O)CNC(=O)CN1c2cccnc2Oc2cc3ccccc3cc2C1=O ZINC000253412055 568903079 /nfs/dbraw/zinc/90/30/79/568903079.db2.gz PSRWUXYTBXEFAY-UHFFFAOYSA-N 0 0 434.452 1.866 50 0 IDAARN COc1cc([C@H](CC(=O)NCC(=O)NCC(C)C)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729168 568903660 /nfs/dbraw/zinc/90/36/60/568903660.db2.gz GWUHZAOLUQLLMO-HNNXBMFYSA-N 0 0 432.473 1.778 50 0 biogenic IDAARN Cn1c2nc(N3CCCC3)n(C[C@H](O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O ZINC000006444812 568907290 /nfs/dbraw/zinc/90/72/90/568907290.db2.gz UJPCDNQFYQFKMQ-KRWDZBQOSA-N 0 0 435.484 1.617 50 0 IDAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)C1 ZINC000239782399 568911649 /nfs/dbraw/zinc/91/16/49/568911649.db2.gz CODWTFBQTDTKEO-HOTGVXAUSA-N 0 0 425.555 1.661 50 0 IDAARN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NCc1ccco1 ZINC000245255939 568913830 /nfs/dbraw/zinc/91/38/30/568913830.db2.gz MQQXUVIGTLWIJR-QAQDUYKDSA-N 0 0 433.530 1.797 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(Cl)ccc1N ZINC000089319596 568920716 /nfs/dbraw/zinc/92/07/16/568920716.db2.gz ZBQVWALSDGRZGG-UHFFFAOYSA-N 0 0 441.893 1.977 50 0 IDAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](CCSC)NC(N)=O)CC1 ZINC000089396270 568922337 /nfs/dbraw/zinc/92/23/37/568922337.db2.gz VNIPERSPTHLMEW-CVEARBPZSA-N 0 0 442.969 1.488 50 0 IDAARN COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)NCCn1cnnc1C1CC1 ZINC000089420782 568924485 /nfs/dbraw/zinc/92/44/85/568924485.db2.gz HVFFBVBDOMYSOC-UHFFFAOYSA-N 0 0 444.311 1.004 50 0 IDAARN CCOC(=O)C(=O)C(N=Nc1ccccc1OC)C(=O)NN=Cc1ccc(N(C)C)cc1 ZINC000252626719 568926408 /nfs/dbraw/zinc/92/64/08/568926408.db2.gz REIUTOYNGVAEFR-UHFFFAOYSA-N 0 0 439.472 1.812 50 0 IDAARN Cn1c2cc(NC(=O)Cc3ccc(F)cc3)c(N3CCOCC3)cc2n(C)c(=O)c1=O ZINC000064526271 568931385 /nfs/dbraw/zinc/93/13/85/568931385.db2.gz FOSUBHSVEBGAMW-UHFFFAOYSA-N 0 0 426.448 1.394 50 0 IDAARN CCN1C2=C(C(=O)N([C@@H](C)C(=O)N3CCCC3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035945446 568932696 /nfs/dbraw/zinc/93/26/96/568932696.db2.gz DYTOGGMSKUSXOX-UGSOOPFHSA-N 0 0 427.461 1.788 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccccc3F)c2=O)cc1 ZINC000036085245 568947721 /nfs/dbraw/zinc/94/77/21/568947721.db2.gz CMSDOPCJCKJSPW-KRWDZBQOSA-N 0 0 438.459 1.799 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCN(C)CC3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085282 568947898 /nfs/dbraw/zinc/94/78/98/568947898.db2.gz AZGRSFZVODGMRZ-UHFFFAOYSA-N 0 0 437.475 1.278 50 0 IDAARN CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000036085490 568947956 /nfs/dbraw/zinc/94/79/56/568947956.db2.gz DNJKVZBPXMAUBO-UHFFFAOYSA-N 0 0 441.438 1.108 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085640 568948081 /nfs/dbraw/zinc/94/80/81/568948081.db2.gz LVZSGNQXVXFFDI-UHFFFAOYSA-N 0 0 432.839 1.611 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccc(F)cc3)c2=O)c1 ZINC000036085540 568948104 /nfs/dbraw/zinc/94/81/04/568948104.db2.gz WDLVXLALOOSEFS-IBGZPJMESA-N 0 0 438.459 1.799 50 0 IDAARN CCN(CC)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036087327 568948763 /nfs/dbraw/zinc/94/87/63/568948763.db2.gz HHQIUNOQENTWST-UHFFFAOYSA-N 0 0 438.484 1.942 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036086732 568948970 /nfs/dbraw/zinc/94/89/70/568948970.db2.gz RZCXYRRSRBVUSJ-UHFFFAOYSA-N 0 0 438.484 1.526 50 0 IDAARN Cc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086871 568949199 /nfs/dbraw/zinc/94/91/99/568949199.db2.gz SNKULRQNDBGEMT-GOSISDBHSA-N 0 0 438.459 1.799 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3cccc(C)c3)c2=O)cc1 ZINC000036086949 568949206 /nfs/dbraw/zinc/94/92/06/568949206.db2.gz UZLGAHGEQMRZIM-HXUWFJFHSA-N 0 0 434.496 1.968 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000036094030 568950830 /nfs/dbraw/zinc/95/08/30/568950830.db2.gz KSZASSPROTVCGG-UHFFFAOYSA-N 0 0 434.496 1.840 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2CC(=O)NC1CCCC1 ZINC000064775040 568954329 /nfs/dbraw/zinc/95/43/29/568954329.db2.gz SDCBTRWKUKXMKL-UHFFFAOYSA-N 0 0 439.516 1.804 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccc2Cl)cn1C ZINC000064818926 568965581 /nfs/dbraw/zinc/96/55/81/568965581.db2.gz IZGWFKLIATZOGF-INIZCTEOSA-N 0 0 439.921 1.935 50 0 IDAARN CNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)ccc21 ZINC000064862388 568974093 /nfs/dbraw/zinc/97/40/93/568974093.db2.gz NIMUEGSNTNKOOQ-UHFFFAOYSA-N 0 0 430.530 1.908 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036210249 568974675 /nfs/dbraw/zinc/97/46/75/568974675.db2.gz FFQHIARYQBKGAF-NRFANRHFSA-N 0 0 445.560 1.985 50 0 IDAARN COCC(=O)N1CCC([C@@H](NC(=O)c2cccc(OC)c2)C(=O)NCc2ccco2)CC1 ZINC000036211066 568976932 /nfs/dbraw/zinc/97/69/32/568976932.db2.gz YPYVMYPNEFNQSU-OAQYLSRUSA-N 0 0 443.500 1.588 50 0 IDAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccc(OC)cc2)C(=O)NCCOC)CC1 ZINC000036214464 568977237 /nfs/dbraw/zinc/97/72/37/568977237.db2.gz LENKFNDYRTXTJF-GOSISDBHSA-N 0 0 436.578 1.163 50 0 IDAARN COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000036227537 568978653 /nfs/dbraw/zinc/97/86/53/568978653.db2.gz FMWHNIMFWRDFEN-UHFFFAOYSA-N 0 0 437.493 1.788 50 0 IDAARN COc1cccc(CNC(=O)Cn2c3nccnc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000064887716 568979164 /nfs/dbraw/zinc/97/91/64/568979164.db2.gz MJKJYSGQIRZMKY-UHFFFAOYSA-N 0 0 445.479 1.521 50 0 IDAARN CC[C@H](C)NC(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC)c2=O)no1 ZINC000064888404 568979551 /nfs/dbraw/zinc/97/95/51/568979551.db2.gz HEDFSZUIJSPQRG-LBPRGKRZSA-N 0 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O=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064889904 568980640 /nfs/dbraw/zinc/98/06/40/568980640.db2.gz CWUKKCJQAAXCTB-UHFFFAOYSA-N 0 0 449.916 1.747 50 0 IDAARN CCS(=O)(=O)Nc1ccc(C)n(CC(=O)NCc2ccc(Br)cc2)c1=O ZINC000169681068 568991449 /nfs/dbraw/zinc/99/14/49/568991449.db2.gz FNYIESXGMYMDSZ-UHFFFAOYSA-N 0 0 442.335 1.997 50 0 IDAARN COCCN(C[C@@H]1CN(C[C@@H](O)COc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000169680471 568991681 /nfs/dbraw/zinc/99/16/81/568991681.db2.gz DDLMOUYHLTUOLJ-GGAORHGYSA-N 0 0 428.529 1.916 50 0 IDAARN COCCN(C[C@H]1CN(C[C@@H](O)COC(C)(C)C)CCO1)C(=O)c1cccc(F)c1 ZINC000169680490 568991932 /nfs/dbraw/zinc/99/19/32/568991932.db2.gz HPOKLKIGCJOYPB-WOJBJXKFSA-N 0 0 426.529 1.791 50 0 IDAARN CC(C)[C@H](O)CN1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000169680480 568992083 /nfs/dbraw/zinc/99/20/83/568992083.db2.gz NNRXMCVLIFZRRB-FGZHOGPDSA-N 0 0 437.556 1.318 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)cc1 ZINC000064943031 568992347 /nfs/dbraw/zinc/99/23/47/568992347.db2.gz FJZCPYLFGRNAPY-UHFFFAOYSA-N 0 0 441.465 1.892 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc(S(=O)(=O)c3ccc(C)cc3)ccc2=O)c1 ZINC000064943434 568992566 /nfs/dbraw/zinc/99/25/66/568992566.db2.gz PFICZMLEXJLQMI-UHFFFAOYSA-N 0 0 427.482 1.710 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(C)c2)ccc1=O ZINC000064943507 568992782 /nfs/dbraw/zinc/99/27/82/568992782.db2.gz AYRIKSUHLHYDSW-UHFFFAOYSA-N 0 0 441.465 1.810 50 0 IDAARN COCCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954130 568997716 /nfs/dbraw/zinc/99/77/16/568997716.db2.gz YIPXDXMUVIDJPO-QFIPXVFZSA-N 0 0 443.479 1.092 50 0 IDAARN O=C(CCC(=O)N1CCC2(CC1)OCCO2)N1CCN(c2nc3cccnc3s2)CC1 ZINC000064955510 568998508 /nfs/dbraw/zinc/99/85/08/568998508.db2.gz NWSDVINVOAHDQZ-UHFFFAOYSA-N 0 0 445.545 1.486 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 ZINC000064965708 569000833 /nfs/dbraw/zinc/00/08/33/569000833.db2.gz MOSCXWKZDNSHSZ-UHFFFAOYSA-N 0 0 445.472 1.712 50 0 IDAARN CCOC(=O)Cn1c2c(nc(-c3cccnc3)nc2C(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000064966044 569001278 /nfs/dbraw/zinc/00/12/78/569001278.db2.gz UFSOXCDPXPEGNU-UHFFFAOYSA-N 0 0 436.403 1.445 50 0 IDAARN CCn1c2c(C(=O)NCCOC)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000064967779 569001340 /nfs/dbraw/zinc/00/13/40/569001340.db2.gz FEMXBCNCTZTQIY-UHFFFAOYSA-N 0 0 439.516 1.459 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CC1)C(=O)[C@@H]1CCCCN21 ZINC000064966502 569001403 /nfs/dbraw/zinc/00/14/03/569001403.db2.gz RZMNOYXIKUQTGR-SFHVURJKSA-N 0 0 434.562 1.701 50 0 IDAARN CCOc1ccc(CCNC(=O)c2nn(-c3ccccc3)c(=O)n(C)c2=O)cc1OCC ZINC000064967085 569001631 /nfs/dbraw/zinc/00/16/31/569001631.db2.gz FBMNODVCPRFVPT-UHFFFAOYSA-N 0 0 438.484 1.701 50 0 IDAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCCCN1CCOCC1)c2=O ZINC000064971186 569076447 /nfs/dbraw/zinc/07/64/47/569076447.db2.gz MPCUVFPAZPRZKQ-SFHVURJKSA-N 0 0 438.532 1.599 50 0 IDAARN Cc1c(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(=O)n(-c2ccccc2)n1C 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/nfs/dbraw/zinc/08/44/87/569084487.db2.gz WSAIMCHUIMAEFV-IBGZPJMESA-N 0 0 444.557 1.575 50 0 IDAARN CCCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)C1=O ZINC000036357543 569085130 /nfs/dbraw/zinc/08/51/30/569085130.db2.gz CLPNRNATXVMMGF-VWLOTQADSA-N 0 0 434.540 1.577 50 0 IDAARN O=C(CNC(=O)Cn1cnc2ccccc2c1=O)Nc1nnc(CCc2ccccc2)s1 ZINC000036358750 569085297 /nfs/dbraw/zinc/08/52/97/569085297.db2.gz IBAITMGHSBHWGT-UHFFFAOYSA-N 0 0 448.508 1.788 50 0 IDAARN COc1ccc2cc([C@@H]3CC(=O)Nc4c3c(C)nn4-c3ccc(=O)[nH]n3)c(=O)n(C)c2c1 ZINC000036359078 569085513 /nfs/dbraw/zinc/08/55/13/569085513.db2.gz YPAPKZWKENQQLY-AWEZNQCLSA-N 0 0 432.440 1.599 50 0 IDAARN O=C(NCc1ccncc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036360380 569086287 /nfs/dbraw/zinc/08/62/87/569086287.db2.gz LXUMICWXQOJXMB-KRWDZBQOSA-N 0 0 428.514 1.535 50 0 IDAARN O=C(Nc1cccnc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000036366698 569087260 /nfs/dbraw/zinc/08/72/60/569087260.db2.gz JNCCWRLONUEMOL-HNNXBMFYSA-N 0 0 430.486 1.094 50 0 IDAARN COc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1N1CCCCS1(=O)=O ZINC000036366830 569087275 /nfs/dbraw/zinc/08/72/75/569087275.db2.gz KLNMYUGUFZJCTJ-UHFFFAOYSA-N 0 0 431.514 1.923 50 0 IDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)c1 ZINC000065032486 569091514 /nfs/dbraw/zinc/09/15/14/569091514.db2.gz QEASZYQCNARUGY-UHFFFAOYSA-N 0 0 433.511 1.745 50 0 IDAARN Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc21 ZINC000065032585 569091550 /nfs/dbraw/zinc/09/15/50/569091550.db2.gz BEQCIBKYLOIVRY-UHFFFAOYSA-N 0 0 449.529 1.815 50 0 IDAARN Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)Cc4cccc(F)c4)CC3)ccc21 ZINC000065032625 569091566 /nfs/dbraw/zinc/09/15/66/569091566.db2.gz TZWQXGBPXSZTSJ-UHFFFAOYSA-N 0 0 449.529 1.815 50 0 IDAARN O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000065032537 569091636 /nfs/dbraw/zinc/09/16/36/569091636.db2.gz RMCXEGZFABADGB-UHFFFAOYSA-N 0 0 433.511 1.502 50 0 IDAARN CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccnn4C)CC3)ccc21 ZINC000065032975 569091744 /nfs/dbraw/zinc/09/17/44/569091744.db2.gz UPMFWUHYHCEUSZ-UHFFFAOYSA-N 0 0 449.558 1.353 50 0 IDAARN CC(=O)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C(C)C ZINC000036386041 569092888 /nfs/dbraw/zinc/09/28/88/569092888.db2.gz OYWFYLRHWOZESH-NRFANRHFSA-N 0 0 437.606 1.956 50 0 IDAARN COCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 ZINC000169758897 569093929 /nfs/dbraw/zinc/09/39/29/569093929.db2.gz RXAGHRQLFLMCAX-HXUWFJFHSA-N 0 0 442.516 1.778 50 0 IDAARN CCn1c(=O)n(CC(=O)NCCCOC)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065056975 569095038 /nfs/dbraw/zinc/09/50/38/569095038.db2.gz DBFXJTOXJCFZSM-UHFFFAOYSA-N 0 0 431.880 1.446 50 0 IDAARN COc1ccc(-c2ncc3c(=O)n(CC(=O)NCc4ccc(C)cc4)c(=O)n(C)c3n2)cc1 ZINC000065056944 569095039 /nfs/dbraw/zinc/09/50/39/569095039.db2.gz UJYSQLSIXNJXRB-UHFFFAOYSA-N 0 0 445.479 1.791 50 0 IDAARN COc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccccc4)nc3n(C)c2=O)c(OC)c1 ZINC000065057327 569095139 /nfs/dbraw/zinc/09/51/39/569095139.db2.gz 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CCOC(=O)CNC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000065083451 569102253 /nfs/dbraw/zinc/10/22/53/569102253.db2.gz LAMFALDXOZCSEI-UHFFFAOYSA-N 0 0 438.531 1.883 50 0 IDAARN COc1cccc(CCC(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)c1 ZINC000169777008 569102280 /nfs/dbraw/zinc/10/22/80/569102280.db2.gz AMARBPXEUINFOC-UHFFFAOYSA-N 0 0 437.500 1.693 50 0 IDAARN O=C(c1nc(-c2csc(S(=O)(=O)NCc3cccs3)c2)no1)N1CCOCC1 ZINC000065097566 569103902 /nfs/dbraw/zinc/10/39/02/569103902.db2.gz WFEFLPRXZJGRCR-UHFFFAOYSA-N 0 0 440.528 1.811 50 0 IDAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000036411685 569105600 /nfs/dbraw/zinc/10/56/00/569105600.db2.gz OBNBHYQEYRONSE-JRSUCEMESA-N 0 0 438.429 1.457 50 0 biogenic IDAARN CCCNC(=O)C1CCN(c2nc3ncn(CC(=O)NC4CCCC4)c(=O)c3s2)CC1 ZINC000065101202 569105731 /nfs/dbraw/zinc/10/57/31/569105731.db2.gz VYOODOHLQUOEPU-UHFFFAOYSA-N 0 0 446.577 1.654 50 0 IDAARN O=C(c1noc2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc21)N1CCCC1 ZINC000065115179 569106647 /nfs/dbraw/zinc/10/66/47/569106647.db2.gz DQODTPBHKCCYMO-UHFFFAOYSA-N 0 0 441.513 1.970 50 0 IDAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000065116580 569107415 /nfs/dbraw/zinc/10/74/15/569107415.db2.gz RNEUUFGKIXMOTI-LBPRGKRZSA-N 0 0 426.520 1.800 50 0 IDAARN CCN1CCN(C(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)CC1 ZINC000065130214 569109042 /nfs/dbraw/zinc/10/90/42/569109042.db2.gz XHUDVKGGVRTQNK-UHFFFAOYSA-N 0 0 434.540 1.835 50 0 IDAARN CCN1CCN(Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)C(=O)C1=O ZINC000065130453 569109203 /nfs/dbraw/zinc/10/92/03/569109203.db2.gz SERZSFHKSPQKMH-UHFFFAOYSA-N 0 0 438.503 1.979 50 0 IDAARN COc1ccc(OC)c(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCCC2)c1 ZINC000065152383 569111863 /nfs/dbraw/zinc/11/18/63/569111863.db2.gz FVSGILFXAVHCEV-UHFFFAOYSA-N 0 0 436.534 1.932 50 0 IDAARN COc1ccc(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCCC2)cc1OC ZINC000065152385 569111918 /nfs/dbraw/zinc/11/19/18/569111918.db2.gz QIFLUHWCGWPMHF-UHFFFAOYSA-N 0 0 436.534 1.932 50 0 IDAARN COc1ccc(CNC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2N)c(OC)c1 ZINC000065154784 569112361 /nfs/dbraw/zinc/11/23/61/569112361.db2.gz NSVXEPQPJHRLEN-UHFFFAOYSA-N 0 0 449.515 1.728 50 0 IDAARN CCOC(=O)[C@@H](CC)n1nc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cn2c1=O ZINC000065198728 569114968 /nfs/dbraw/zinc/11/49/68/569114968.db2.gz BKORLCGXTKRKAU-GOSISDBHSA-N 0 0 444.513 1.757 50 0 IDAARN CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nnc(C)n2c1 ZINC000065199074 569115068 /nfs/dbraw/zinc/11/50/68/569115068.db2.gz MCGQXYVJVOWHCS-UHFFFAOYSA-N 0 0 432.458 1.567 50 0 IDAARN COc1ccc(OCC(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)cc1 ZINC000065200760 569115168 /nfs/dbraw/zinc/11/51/68/569115168.db2.gz BFIUINHFZUDZKI-UHFFFAOYSA-N 0 0 432.546 1.712 50 0 IDAARN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987505 569116172 /nfs/dbraw/zinc/11/61/72/569116172.db2.gz PDQGOLNUBSXQCK-UHFFFAOYSA-N 0 0 426.517 1.721 50 0 IDAARN O=C(c1ccc(Br)o1)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H](C1)O2 ZINC000065225069 569117720 /nfs/dbraw/zinc/11/77/20/569117720.db2.gz LTNSYVQXAUVJLK-BETUJISGSA-N 0 0 441.303 1.956 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)COc4cccc(C)c4)C[C@@H](C2)O3)cc1 ZINC000065225093 569117756 /nfs/dbraw/zinc/11/77/56/569117756.db2.gz UPFGTQCLKBAOFS-BGYRXZFFSA-N 0 0 430.526 1.983 50 0 IDAARN CC(C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000036576371 569118495 /nfs/dbraw/zinc/11/84/95/569118495.db2.gz JAWMUUFGZPJACF-OLZOCXBDSA-N 0 0 439.563 1.121 50 0 IDAARN CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2N2CCC3(CC2)OCCO3)cc1 ZINC000036585721 569120114 /nfs/dbraw/zinc/12/01/14/569120114.db2.gz RDPMIBMNKRHKNC-MSOLQXFVSA-N 0 0 429.560 1.027 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1)C(=O)OC ZINC000036593425 569121253 /nfs/dbraw/zinc/12/12/53/569121253.db2.gz GJWFEFWVJNGEPG-APWZRJJASA-N 0 0 430.461 1.570 50 0 IDAARN COc1cc([C@@H](CC(=O)NCCN2CCOCC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731401 569126432 /nfs/dbraw/zinc/12/64/32/569126432.db2.gz WDQWGDYNKAXFCQ-MRXNPFEDSA-N 0 0 432.473 1.338 50 0 biogenic IDAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCN1CCCC1=O ZINC000524732817 569126939 /nfs/dbraw/zinc/12/69/39/569126939.db2.gz PYIFDWRYRIQGJE-QFIPXVFZSA-N 0 0 432.480 1.930 50 0 IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NC[C@H]1CCS(=O)(=O)C1 ZINC000524734219 569127622 /nfs/dbraw/zinc/12/76/22/569127622.db2.gz KOFAQLCNPADDLU-JLTOFOAXSA-N 0 0 439.493 1.352 50 0 IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NC[C@H]1CCS(=O)(=O)C1 ZINC000524734221 569127624 /nfs/dbraw/zinc/12/76/24/569127624.db2.gz KOFAQLCNPADDLU-VLIAUNLRSA-N 0 0 439.493 1.352 50 0 IDAARN C=C1C(N2CCC(NC(=O)NCC(=O)OCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271799 569128595 /nfs/dbraw/zinc/12/85/95/569128595.db2.gz JYVBJLYTYSUNID-UHFFFAOYSA-N 0 0 434.518 1.486 50 0 IDAARN C=C1C(N2CCCN(C(=O)NCC(=O)OCC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271900 569128735 /nfs/dbraw/zinc/12/87/35/569128735.db2.gz IBCQJLAYKMTQOE-UHFFFAOYSA-N 0 0 448.545 1.748 50 0 IDAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCCN2CCOCC2)CC3)CC1 ZINC000065273606 569129898 /nfs/dbraw/zinc/12/98/98/569129898.db2.gz VRKNRYUJOFWLLO-QGZVFWFLSA-N 0 0 449.621 1.001 50 0 IDAARN Cc1nnc2cc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)cnn12 ZINC000065282408 569130171 /nfs/dbraw/zinc/13/01/71/569130171.db2.gz DDHFZWDMRDQJFS-UHFFFAOYSA-N 0 0 426.424 1.962 50 0 IDAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292212 569130697 /nfs/dbraw/zinc/13/06/97/569130697.db2.gz PXSQGXGQNZEBNW-GOSISDBHSA-N 0 0 433.571 1.255 50 0 IDAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccn1 ZINC000065301974 569132838 /nfs/dbraw/zinc/13/28/38/569132838.db2.gz MIILJLNVTSBZLC-UHFFFAOYSA-N 0 0 432.527 1.559 50 0 IDAARN CC(C)Cn1c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)n2c2ccsc2c1=O ZINC000065305286 569133029 /nfs/dbraw/zinc/13/30/29/569133029.db2.gz AOJSLEMWLJBBAF-UHFFFAOYSA-N 0 0 441.469 1.896 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC(=O)N2CCCCC2)C1=O ZINC000065314855 569135744 /nfs/dbraw/zinc/13/57/44/569135744.db2.gz WJDSCOAPHMHDSD-UHFFFAOYSA-N 0 0 435.546 1.344 50 0 IDAARN Cn1c(=O)n(CCNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1cccs1 ZINC000036708599 569136019 /nfs/dbraw/zinc/13/60/19/569136019.db2.gz QBHPXPPWADBGTE-UHFFFAOYSA-N 0 0 425.470 1.394 50 0 IDAARN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000065329706 569136935 /nfs/dbraw/zinc/13/69/35/569136935.db2.gz ZWZOSCOWYUAYFD-UHFFFAOYSA-N 0 0 432.502 1.574 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)cc1 ZINC000065330743 569137088 /nfs/dbraw/zinc/13/70/88/569137088.db2.gz XMYHMBDZUPFHNH-OAHLLOKOSA-N 0 0 445.570 1.914 50 0 IDAARN CCOC(=O)c1sc(NC(=O)CN2CCC(C(N)=O)CC2)c(C(=O)OCC)c1C ZINC000007141442 569137472 /nfs/dbraw/zinc/13/74/72/569137472.db2.gz KBEBAPNUUDNYIP-UHFFFAOYSA-N 0 0 425.507 1.546 50 0 IDAARN O=S(=O)(c1c[nH]cn1)N1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000238924821 569137926 /nfs/dbraw/zinc/13/79/26/569137926.db2.gz UNYPSTDCIKLEHI-UHFFFAOYSA-N 0 0 439.346 1.802 50 0 IDAARN O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000065515079 569138936 /nfs/dbraw/zinc/13/89/36/569138936.db2.gz MCXPJUPCGSKDGC-ZWKOTPCHSA-N 0 0 430.505 1.839 50 0 IDAARN O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000065515081 569139074 /nfs/dbraw/zinc/13/90/74/569139074.db2.gz MCXPJUPCGSKDGC-ROUUACIJSA-N 0 0 430.505 1.839 50 0 IDAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)OC ZINC000007402971 569140092 /nfs/dbraw/zinc/14/00/92/569140092.db2.gz CEGPBAXRSWZXAA-OIPACUDHSA-N 0 0 426.535 1.802 50 0 IDAARN CC(=O)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1)C(C)C ZINC000037178550 569140497 /nfs/dbraw/zinc/14/04/97/569140497.db2.gz OYWFYLRHWOZESH-OAQYLSRUSA-N 0 0 437.606 1.956 50 0 IDAARN CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000240068193 569140599 /nfs/dbraw/zinc/14/05/99/569140599.db2.gz SMWDBPKQNHBCGZ-MBJXGIAVSA-N 0 0 433.301 1.047 50 0 IDAARN CS(=O)(=O)c1ccc(NC(=O)CN2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1 ZINC000170599789 569142581 /nfs/dbraw/zinc/14/25/81/569142581.db2.gz NZPMLBRPLQRSQF-QGZVFWFLSA-N 0 0 442.497 1.213 50 0 IDAARN CC(C)(C)OC(=O)N1CCC(N(C(=O)Cn2cccn2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000170607573 569144212 /nfs/dbraw/zinc/14/42/12/569144212.db2.gz HKJAXQGGGXPLOR-INIZCTEOSA-N 0 0 426.539 1.298 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)Cc3ccncc3)CC2)cc1 ZINC000170610155 569145028 /nfs/dbraw/zinc/14/50/28/569145028.db2.gz TWTKFAGZXIMSRM-SFHVURJKSA-N 0 0 433.530 1.211 50 0 IDAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCn2c(Br)cnc2C1 ZINC000170614503 569146343 /nfs/dbraw/zinc/14/63/43/569146343.db2.gz AXTBZUOKCFKAMH-UHFFFAOYSA-N 0 0 432.072 1.773 50 0 IDAARN Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C ZINC000170616167 569146856 /nfs/dbraw/zinc/14/68/56/569146856.db2.gz RTLGEJINJJXCCQ-NRFANRHFSA-N 0 0 448.541 1.919 50 0 IDAARN CC(C)Oc1cccc(C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)S(C)(=O)=O)n1 ZINC000170617224 569147152 /nfs/dbraw/zinc/14/71/52/569147152.db2.gz WTXSDRQTAZAUOX-UHFFFAOYSA-N 0 0 441.531 1.161 50 0 IDAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(-n2nnc(C(=O)NC3CC3)n2)cc1 ZINC000071001136 569149235 /nfs/dbraw/zinc/14/92/35/569149235.db2.gz PNTJTNCNOAAQGN-UHFFFAOYSA-N 0 0 440.485 1.357 50 0 IDAARN NC(=O)c1nnn(-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC000070999753 569149256 /nfs/dbraw/zinc/14/92/56/569149256.db2.gz PYZWCSVBHWTKNW-UHFFFAOYSA-N 0 0 428.352 1.461 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000009883329 569149946 /nfs/dbraw/zinc/14/99/46/569149946.db2.gz RBPNXYSKJHLSFK-UHFFFAOYSA-N 0 0 437.449 1.553 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000009883664 569150086 /nfs/dbraw/zinc/15/00/86/569150086.db2.gz HNQJGTIUOMEYCP-ZIAGYGMSSA-N 0 0 447.513 1.960 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009908572 569150580 /nfs/dbraw/zinc/15/05/80/569150580.db2.gz NZBRKSAMGIMKSG-JLTOFOAXSA-N 0 0 433.486 1.707 50 0 IDAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1=O ZINC000009996184 569151374 /nfs/dbraw/zinc/15/13/74/569151374.db2.gz FULOLEPVZGOIJP-UHFFFAOYSA-N 0 0 447.495 1.690 50 0 IDAARN O=C(NC[C@H]1CCCO1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219930 569152828 /nfs/dbraw/zinc/15/28/28/569152828.db2.gz DXJRPTXNYPKEJU-CYBMUJFWSA-N 0 0 438.893 1.188 50 0 IDAARN O=C(NCc1cccnc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219934 569152835 /nfs/dbraw/zinc/15/28/35/569152835.db2.gz KIZPWARMSKCMKU-UHFFFAOYSA-N 0 0 445.888 1.604 50 0 IDAARN O=C(NCc1cccnc1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219888 569152848 /nfs/dbraw/zinc/15/28/48/569152848.db2.gz KWQALOAZVGLJBS-UHFFFAOYSA-N 0 0 445.888 1.604 50 0 IDAARN O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 ZINC000010219691 569153822 /nfs/dbraw/zinc/15/38/22/569153822.db2.gz QHAOOGNNKNQVAD-UHFFFAOYSA-N 0 0 428.445 1.695 50 0 IDAARN O=C(NCc1cccs1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000010219823 569153842 /nfs/dbraw/zinc/15/38/42/569153842.db2.gz IQSUMIPZNIEUOO-UHFFFAOYSA-N 0 0 434.474 1.756 50 0 IDAARN CN1CCN(n2c3c(c(SCC(=O)N4CCc5ccccc54)nc2=O)CCC3)CC1 ZINC000010255112 569153942 /nfs/dbraw/zinc/15/39/42/569153942.db2.gz ABIDCXQCHKXAIZ-UHFFFAOYSA-N 0 0 425.558 1.297 50 0 IDAARN NC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)cc1 ZINC000010384645 569154516 /nfs/dbraw/zinc/15/45/16/569154516.db2.gz GCZKEJZXOQMYAC-UHFFFAOYSA-N 0 0 429.433 1.968 50 0 IDAARN CCc1cccc(OC[C@@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385245 569154590 /nfs/dbraw/zinc/15/45/90/569154590.db2.gz AVURKLXJPPRVKU-KRWDZBQOSA-N 0 0 441.532 1.806 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)o2)n(C)n1 ZINC000013615030 569156458 /nfs/dbraw/zinc/15/64/58/569156458.db2.gz RYTOYNOOXGXKDL-OAHLLOKOSA-N 0 0 430.490 1.879 50 0 IDAARN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013722530 569156903 /nfs/dbraw/zinc/15/69/03/569156903.db2.gz BFCYBUHETRUXBX-UHFFFAOYSA-N 0 0 438.527 1.673 50 0 IDAARN CCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014584103 569159340 /nfs/dbraw/zinc/15/93/40/569159340.db2.gz KJWMYVPRQIGVJQ-UHFFFAOYSA-N 0 0 447.495 1.961 50 0 IDAARN Cc1cc(NC(=O)C2CCN(C(=O)CN3C(=O)NC4(C[C@@H](C)C[C@H](C)C4)C3=O)CC2)no1 ZINC000089605159 569159684 /nfs/dbraw/zinc/15/96/84/569159684.db2.gz DZIHSNZLTUTLRI-KBPBESRZSA-N 0 0 445.520 1.907 50 0 IDAARN Cc1cccc(N2CCN(CCNC(=O)NCc3cccc(NS(C)(=O)=O)c3)CC2)c1 ZINC000089672760 569161068 /nfs/dbraw/zinc/16/10/68/569161068.db2.gz MXOXEGGMWBJJEH-UHFFFAOYSA-N 0 0 445.589 1.988 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)s1 ZINC000016809780 569162425 /nfs/dbraw/zinc/16/24/25/569162425.db2.gz OLMFBMHTGRNZQJ-UHFFFAOYSA-N 0 0 425.488 1.370 50 0 IDAARN NC(=O)c1cnc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(Cl)c1 ZINC000089769865 569162501 /nfs/dbraw/zinc/16/25/01/569162501.db2.gz BVFBQSLINYPBGE-UHFFFAOYSA-N 0 0 442.856 1.246 50 0 IDAARN Cc1nn(-c2nc(C)cc(=O)[nH]2)c(C)c1CCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000016849563 569164498 /nfs/dbraw/zinc/16/44/98/569164498.db2.gz REPDGOUCHCMSQA-UHFFFAOYSA-N 0 0 438.488 1.391 50 0 IDAARN O=C(NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O)c1ccncc1 ZINC000016850547 569164774 /nfs/dbraw/zinc/16/47/74/569164774.db2.gz GLFAWWBMOKEMFR-UHFFFAOYSA-N 0 0 436.443 1.847 50 0 IDAARN O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccc[nH]c1=O ZINC000016850524 569164777 /nfs/dbraw/zinc/16/47/77/569164777.db2.gz NOMOEGLBENFKCK-UHFFFAOYSA-N 0 0 434.452 1.001 50 0 IDAARN O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)N1CCN(c2ncccn2)CC1 ZINC000016851194 569164862 /nfs/dbraw/zinc/16/48/62/569164862.db2.gz RJFAQSHNGDKUSA-UHFFFAOYSA-N 0 0 439.501 1.155 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1 ZINC000016851158 569164886 /nfs/dbraw/zinc/16/48/86/569164886.db2.gz HPXHJXHGJHVBOB-UHFFFAOYSA-N 0 0 432.502 1.818 50 0 IDAARN C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)CNC(=O)OC(C)(C)C ZINC000089900671 569167119 /nfs/dbraw/zinc/16/71/19/569167119.db2.gz TVWIWCFDOHSGPL-LBPRGKRZSA-N 0 0 435.493 1.910 50 0 IDAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@@H]1CO ZINC000089929846 569167864 /nfs/dbraw/zinc/16/78/64/569167864.db2.gz WJHCSFXGXZPMJZ-ZWNOBZJWSA-N 0 0 426.354 1.634 50 0 IDAARN COc1cn(CC(=O)NC2CCCC2)c(CN2CCN(C(=O)c3ccco3)CC2)cc1=O ZINC000016974499 569168657 /nfs/dbraw/zinc/16/86/57/569168657.db2.gz RYGAORMXBPYSNE-UHFFFAOYSA-N 0 0 442.516 1.467 50 0 IDAARN COc1cn(CC(=O)NC[C@H]2CCCO2)c(CN2CCN(c3ccccc3)CC2)cc1=O ZINC000016974670 569168670 /nfs/dbraw/zinc/16/86/70/569168670.db2.gz VHTUBVVIQRTPMT-OAQYLSRUSA-N 0 0 440.544 1.474 50 0 IDAARN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](COCc4ccccc4)NC(=O)[C@H]3C2)cc1F ZINC000014743549 569170972 /nfs/dbraw/zinc/17/09/72/569170972.db2.gz BKBXGTYSRYFAKB-VQTJNVASSA-N 0 0 425.460 1.502 50 0 IDAARN Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)c1 ZINC000017026625 569171147 /nfs/dbraw/zinc/17/11/47/569171147.db2.gz HGWNUWVISYZKEL-UHFFFAOYSA-N 0 0 440.529 1.566 50 0 IDAARN O=C(NCCn1ncc2c1ncnc2N1CCN(c2ccc(F)cc2)CC1)c1cnccn1 ZINC000017156158 569175180 /nfs/dbraw/zinc/17/51/80/569175180.db2.gz SJVSXLPGAKFQAS-UHFFFAOYSA-N 0 0 447.478 1.512 50 0 IDAARN O=C(c1ccc2c(c1)OCCOCCOCCO2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002087528 569178418 /nfs/dbraw/zinc/17/84/18/569178418.db2.gz GXFSNEMEHSFARR-PKOBYXMFSA-N 0 0 440.496 1.912 50 0 biogenic IDAARN CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OC ZINC000006458742 569178445 /nfs/dbraw/zinc/17/84/45/569178445.db2.gz NZGJQPDHMSCHRL-KGLIPLIRSA-N 0 0 436.559 1.814 50 0 IDAARN COCCNC(=O)[C@@H](C)NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000252430619 569183362 /nfs/dbraw/zinc/18/33/62/569183362.db2.gz AWKCENBFUQTOKC-KZNAEPCWSA-N 0 0 439.578 1.347 50 0 IDAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000252444419 569183810 /nfs/dbraw/zinc/18/38/10/569183810.db2.gz WCZIOJIMYNHZLV-IIAWOOMASA-N 0 0 430.523 1.337 50 0 IDAARN COc1cc(OC)cc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1 ZINC000252445521 569183890 /nfs/dbraw/zinc/18/38/90/569183890.db2.gz SQYPKMUEQKHOLC-NAZDKBRTSA-N 0 0 448.475 1.942 50 0 IDAARN COc1cc(OC)cc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1 ZINC000252445519 569183906 /nfs/dbraw/zinc/18/39/06/569183906.db2.gz SQYPKMUEQKHOLC-FBROZUCGSA-N 0 0 448.475 1.942 50 0 IDAARN Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c1 ZINC000002134506 569185268 /nfs/dbraw/zinc/18/52/68/569185268.db2.gz DXEGUBZOOFITMD-HLWREBGISA-N 0 0 434.489 1.835 50 0 biogenic IDAARN Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002134548 569185274 /nfs/dbraw/zinc/18/52/74/569185274.db2.gz JESAKGFQNKXLOS-WGFFODHRSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002139675 569185353 /nfs/dbraw/zinc/18/53/53/569185353.db2.gz YZQQLTKAYSDCTD-FSNPWBFUSA-N 0 0 436.461 1.146 50 0 biogenic IDAARN COc1cccc(-n2c(=O)[nH]c([O-])c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)c1 ZINC000002145159 569186762 /nfs/dbraw/zinc/18/67/62/569186762.db2.gz XZQUSEMXJRUMHM-MRXNPFEDSA-N 0 0 426.381 1.517 50 0 biogenic IDAARN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000010385481 569188383 /nfs/dbraw/zinc/18/83/83/569188383.db2.gz IJFOBQWRHHJLIO-HIFRSBDPSA-N 0 0 447.923 1.753 50 0 IDAARN Cc1cc(N2CC[C@@H](N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)C2=O)n(C)n1 ZINC000170645347 569189020 /nfs/dbraw/zinc/18/90/20/569189020.db2.gz IFHOZUCQQNNXIK-LJQANCHMSA-N 0 0 445.589 1.766 50 0 IDAARN CSCC[C@H](NC(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O)c1nnc2ccccn21 ZINC000252536762 569190012 /nfs/dbraw/zinc/19/00/12/569190012.db2.gz JNJKYJIXLRKEKO-LSDHHAIUSA-N 0 0 442.501 1.948 50 0 IDAARN Cc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)c1 ZINC000002192530 569190827 /nfs/dbraw/zinc/19/08/27/569190827.db2.gz BWEKLYWSBNAZDB-FQEVSTJZSA-N 0 0 444.369 1.974 50 0 IDAARN COC(=O)CN1c2ccccc2[C@@]2(C1=O)C(C(=O)OC(C)C)=C(C)OC(N)=C2C(=O)OC ZINC000002194459 569190843 /nfs/dbraw/zinc/19/08/43/569190843.db2.gz YGHNOPZKILMWSG-JOCHJYFZSA-N 0 0 444.440 1.043 50 0 IDAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCc1nnc2ccccn21 ZINC000252549426 569190943 /nfs/dbraw/zinc/19/09/43/569190943.db2.gz REKMUXOUDWXFGN-OAHLLOKOSA-N 0 0 426.864 1.757 50 0 IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000252572358 569191240 /nfs/dbraw/zinc/19/12/40/569191240.db2.gz ZBPMHAWLHCGERF-MSOLQXFVSA-N 0 0 439.468 1.540 50 0 IDAARN COC(=O)[C@](NC(=O)Cc1ccccc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002196989 569191499 /nfs/dbraw/zinc/19/14/99/569191499.db2.gz MAZHBSSHTLHGBP-KRWDZBQOSA-N 0 0 430.404 1.755 50 0 IDAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)c1 ZINC000002207831 569193810 /nfs/dbraw/zinc/19/38/10/569193810.db2.gz VSIOWSCGUBWALP-UHFFFAOYSA-N 0 0 434.503 1.046 50 0 IDAARN COCCNC(=O)[C@@H](C)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000037511376 569197922 /nfs/dbraw/zinc/19/79/22/569197922.db2.gz ZLFUTMNGLUMRPV-CQSZACIVSA-N 0 0 430.432 1.964 50 0 IDAARN COCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3cc(C)ccc3F)cc21 ZINC000037511882 569197939 /nfs/dbraw/zinc/19/79/39/569197939.db2.gz FGCWHBRPBHODSM-UHFFFAOYSA-N 0 0 430.432 1.884 50 0 IDAARN COCCNC(=O)[C@H](C)N1C(=O)COc2ccc(C(=O)COc3cccc(F)c3)cc21 ZINC000037511375 569197959 /nfs/dbraw/zinc/19/79/59/569197959.db2.gz ZLFUTMNGLUMRPV-AWEZNQCLSA-N 0 0 430.432 1.964 50 0 IDAARN Cc1ccc(CN2CCCn3nc(C(=O)NCCC(=O)N4CCOCC4)cc3C2=O)cc1 ZINC000037577714 569201437 /nfs/dbraw/zinc/20/14/37/569201437.db2.gz CXIVXIKGWGVBHO-UHFFFAOYSA-N 0 0 439.516 1.216 50 0 IDAARN COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccc(OC)cc4)O[C@@H]3[C@@H](O)[C@H]2NC(C)=O)cc1 ZINC000252627695 569203531 /nfs/dbraw/zinc/20/35/31/569203531.db2.gz RZSHWDOZSGCONM-NURQPWONSA-N 0 0 445.468 1.787 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000002224172 569204837 /nfs/dbraw/zinc/20/48/37/569204837.db2.gz AKVXVIMLPXYVEW-KRWDZBQOSA-N 0 0 435.484 1.784 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252672080 569210025 /nfs/dbraw/zinc/21/00/25/569210025.db2.gz PCMOOVFYSGKIJU-LJQANCHMSA-N 0 0 438.509 1.459 50 0 IDAARN COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCOC(C)=O ZINC000002957355 569212880 /nfs/dbraw/zinc/21/28/80/569212880.db2.gz HCDLBDLZKDWYBW-BOPFTXTBSA-N 0 0 426.425 1.874 50 0 IDAARN COCCN1C(=O)/C(=C\c2c(NCCCO)nc3ccc(C)cn3c2=O)SC1=S ZINC000002252605 569214302 /nfs/dbraw/zinc/21/43/02/569214302.db2.gz GAHHEEWRBZGNMZ-GXDHUFHOSA-N 0 0 434.543 1.645 50 0 IDAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2N)cc1OC ZINC000002263587 569216023 /nfs/dbraw/zinc/21/60/23/569216023.db2.gz ZLWKGZGDRCWKCE-UHFFFAOYSA-N 0 0 428.474 1.506 50 0 IDAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000253385990 569264210 /nfs/dbraw/zinc/26/42/10/569264210.db2.gz VDTPQSMPHAKDCF-IHVXWDLPSA-N 0 0 429.448 1.988 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(S(=O)(=O)/C=C/c3ccc(C)cc3)CC2)cn1C ZINC000253401609 569264901 /nfs/dbraw/zinc/26/49/01/569264901.db2.gz NJUCRKQTLDVUHM-NTEUORMPSA-N 0 0 438.575 1.734 50 0 IDAARN O=C(CCCN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000253417781 569266455 /nfs/dbraw/zinc/26/64/55/569266455.db2.gz VDQNMXWFFJJSSP-UHFFFAOYSA-N 0 0 438.366 1.888 50 0 IDAARN O=C1CC[C@@H](CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)N1 ZINC000253418749 569266689 /nfs/dbraw/zinc/26/66/89/569266689.db2.gz QKCVCYZAZVFSLY-SFHVURJKSA-N 0 0 446.598 1.959 50 0 IDAARN O=C([O-])CC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000002338684 569274914 /nfs/dbraw/zinc/27/49/14/569274914.db2.gz ITLLBGBJIXZGKY-YQYRJILISA-N 0 0 437.427 1.611 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NC[C@H](O)c3ccc4c(c3)OCCO4)cc3c2N1CC3 ZINC000253472827 569282809 /nfs/dbraw/zinc/28/28/09/569282809.db2.gz PSNWMZOQXNBHTQ-KRWDZBQOSA-N 0 0 430.482 1.305 50 0 IDAARN CN1c2ccccc2N(CCNC(=O)c2ccccc2S(=O)(=O)C(F)F)S1(=O)=O ZINC000253472563 569282933 /nfs/dbraw/zinc/28/29/33/569282933.db2.gz NOSUNAGAHNPSFB-UHFFFAOYSA-N 0 0 445.469 1.614 50 0 IDAARN CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)NC(CO)CO ZINC000027639003 569286153 /nfs/dbraw/zinc/28/61/53/569286153.db2.gz QJOORAQHWWTUIP-HIGMCGMBSA-N 0 0 425.566 1.636 50 0 in-vitro IDAARN Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009633418 569297417 /nfs/dbraw/zinc/29/74/17/569297417.db2.gz HOTPXOFHEOHVTC-UYRXBGFRSA-N 0 0 427.486 1.973 50 0 IDAARN Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1cccc(N2CCCC2=O)c1 ZINC000012997737 569306115 /nfs/dbraw/zinc/30/61/15/569306115.db2.gz UJWPORVHFFBNMA-CQSZACIVSA-N 0 0 448.570 1.894 50 0 IDAARN NS(=O)(=O)c1ccc(CCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000013017271 569307144 /nfs/dbraw/zinc/30/71/44/569307144.db2.gz SOPVIWHZUDPPOH-UHFFFAOYSA-N 0 0 435.933 1.905 50 0 IDAARN CCOc1ccccc1OCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013041332 569308108 /nfs/dbraw/zinc/30/81/08/569308108.db2.gz ZCVHILUHFHZZTI-UHFFFAOYSA-N 0 0 434.493 1.232 50 0 IDAARN COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000013041640 569308183 /nfs/dbraw/zinc/30/81/83/569308183.db2.gz LWHPIRTWSWDDLQ-ZDUSSCGKSA-N 0 0 444.531 1.818 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)Nc1ccccc1)n2C ZINC000013057982 569308436 /nfs/dbraw/zinc/30/84/36/569308436.db2.gz DHUMAFLERBXYCD-UHFFFAOYSA-N 0 0 444.513 1.938 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 ZINC000013063552 569308791 /nfs/dbraw/zinc/30/87/91/569308791.db2.gz WZHTWTLEZHFJTL-UWJYYQICSA-N 0 0 434.562 1.760 50 0 IDAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000013101330 569310041 /nfs/dbraw/zinc/31/00/41/569310041.db2.gz ORSGVKADGXUYLU-LJQANCHMSA-N 0 0 447.513 1.214 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccs2)C(=O)N3)cc1OC ZINC000013363077 569314130 /nfs/dbraw/zinc/31/41/30/569314130.db2.gz NQHBMRIWAMOSQA-UHFFFAOYSA-N 0 0 435.527 1.865 50 0 IDAARN COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(F)cc2)cc1 ZINC000013371698 569315035 /nfs/dbraw/zinc/31/50/35/569315035.db2.gz IVQNBZNDGICHAQ-OALUTQOASA-N 0 0 427.519 1.606 50 0 IDAARN O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000013371486 569315047 /nfs/dbraw/zinc/31/50/47/569315047.db2.gz IHXLDZDPCFUFEZ-YJBOKZPZSA-N 0 0 427.475 1.284 50 0 IDAARN COc1ccc(OCCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013371381 569315096 /nfs/dbraw/zinc/31/50/96/569315096.db2.gz LMAWETSAUMIIIN-PMACEKPBSA-N 0 0 439.555 1.612 50 0 IDAARN Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCSc1nnnn1C ZINC000328590611 569316952 /nfs/dbraw/zinc/31/69/52/569316952.db2.gz 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CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1cnc3c(C)cccc3c1=O)CC2 ZINC000078875335 569319780 /nfs/dbraw/zinc/31/97/80/569319780.db2.gz LBCHPUSSSGITDT-UHFFFAOYSA-N 0 0 426.498 1.592 50 0 IDAARN CS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000078903232 569320218 /nfs/dbraw/zinc/32/02/18/569320218.db2.gz ATJPVNJTTZEUCC-HNNXBMFYSA-N 0 0 446.367 1.674 50 0 IDAARN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1NC(=O)N[C@@H]1CCC[C@@H]1C(N)=O ZINC000078947522 569320422 /nfs/dbraw/zinc/32/04/22/569320422.db2.gz WAPZNVFUDKASKT-CAOSSQGBSA-N 0 0 430.509 1.546 50 0 IDAARN Cc1nsc(N2CCCN(CC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)CC2)n1 ZINC000078950461 569320491 /nfs/dbraw/zinc/32/04/91/569320491.db2.gz NFXCIAOCCNHPBL-UHFFFAOYSA-N 0 0 443.577 1.735 50 0 IDAARN CC(C)(C)c1nccc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)n1 ZINC000078968241 569320806 /nfs/dbraw/zinc/32/08/06/569320806.db2.gz FRAJFMOXXKEXJP-UHFFFAOYSA-N 0 0 446.577 1.517 50 0 IDAARN COC(=O)[C@H](CNC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)Cc1ccc(O)cc1 ZINC000078975013 569321118 /nfs/dbraw/zinc/32/11/18/569321118.db2.gz DWOFOFSDMONIKW-IRXDYDNUSA-N 0 0 439.468 1.751 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3c[nH]c(=O)cc3C)CC2=O)cc1 ZINC000079015494 569321995 /nfs/dbraw/zinc/32/19/95/569321995.db2.gz YKOUJZNJHZVWBZ-OAHLLOKOSA-N 0 0 446.529 1.705 50 0 IDAARN CS(=O)(=O)c1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000079023470 569322635 /nfs/dbraw/zinc/32/26/35/569322635.db2.gz UYDUMGAPMKQDRG-ZYHUDNBSSA-N 0 0 433.324 1.458 50 0 IDAARN CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N1CCCC[C@H]1C)c(=O)n2C ZINC000019625663 569323777 /nfs/dbraw/zinc/32/37/77/569323777.db2.gz AQAUTAUKQDDKDI-CYBMUJFWSA-N 0 0 428.489 1.550 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000079061924 569323922 /nfs/dbraw/zinc/32/39/22/569323922.db2.gz PONUMTCXZYRIQD-VBKZILBWSA-N 0 0 437.518 1.287 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3[C@@H]2CO)C1=O ZINC000079074997 569324667 /nfs/dbraw/zinc/32/46/67/569324667.db2.gz 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/nfs/dbraw/zinc/33/56/81/569335681.db2.gz SUVJYGNZKFMCNO-UHFFFAOYSA-N 0 0 425.533 1.873 50 0 IDAARN O=C(Cn1c2ccccc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc(F)cc1 ZINC000020153144 569353398 /nfs/dbraw/zinc/35/33/98/569353398.db2.gz OEASVRBZFXYBEK-UHFFFAOYSA-N 0 0 438.459 2.000 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3ccccc3-c3cn4c(n3)SCC4)c2c(=O)n(C)c1=O ZINC000390828621 569354066 /nfs/dbraw/zinc/35/40/66/569354066.db2.gz SIBYDUQPPVKMBK-UHFFFAOYSA-N 0 0 437.485 1.042 50 0 IDAARN CCn1cc(S(=O)(=O)N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)nc1C ZINC000390830123 569354176 /nfs/dbraw/zinc/35/41/76/569354176.db2.gz IWLMKZZPDMUPNO-UHFFFAOYSA-N 0 0 439.563 1.566 50 0 IDAARN COC(CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)OC ZINC000020216065 569356668 /nfs/dbraw/zinc/35/66/68/569356668.db2.gz SBMYXGDVZGESGO-LBPRGKRZSA-N 0 0 428.536 1.169 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000020287423 569359203 /nfs/dbraw/zinc/35/92/03/569359203.db2.gz LAQQNVQJWOGESB-UZLBHIALSA-N 0 0 431.558 1.994 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/nfs/dbraw/zinc/36/65/12/569366512.db2.gz ZBTZDVHTJYAVAY-UHFFFAOYSA-N 0 0 433.505 1.617 50 0 IDAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)OCC2CC2)c1C ZINC000095451507 569367882 /nfs/dbraw/zinc/36/78/82/569367882.db2.gz BAPZMOXGMVRTOK-MSOLQXFVSA-N 0 0 438.546 1.114 50 0 IDAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000095451932 569367912 /nfs/dbraw/zinc/36/79/12/569367912.db2.gz XMMLGEXNRUGLCU-HNNXBMFYSA-N 0 0 449.504 1.600 50 0 IDAARN CN1C(=O)NC2(CCN(S(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)CC2)C1=O ZINC000095452544 569368059 /nfs/dbraw/zinc/36/80/59/569368059.db2.gz RWVBGOMCBGYDGE-UHFFFAOYSA-N 0 0 441.456 1.921 50 0 IDAARN COCCN(CCNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)C(=O)OC(C)(C)C ZINC000095453675 569368246 /nfs/dbraw/zinc/36/82/46/569368246.db2.gz QJQLDNWSANFAIO-KRWDZBQOSA-N 0 0 438.447 1.560 50 0 IDAARN CC[C@@H](C(=O)Nc1cnn(C[C@@H](O)CN(C)OC)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000095456513 569368854 /nfs/dbraw/zinc/36/88/54/569368854.db2.gz CQBKTHVVZNIWPF-IRXDYDNUSA-N 0 0 448.915 1.634 50 0 IDAARN CON(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2Cn2ccnn2)ccc1Cl ZINC000095456746 569368927 /nfs/dbraw/zinc/36/89/27/569368927.db2.gz MMRRMFSTVSFPDQ-AWEZNQCLSA-N 0 0 427.914 1.808 50 0 IDAARN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000095459649 569369504 /nfs/dbraw/zinc/36/95/04/569369504.db2.gz MFUVTNGZHYMUKA-UHFFFAOYSA-N 0 0 431.467 1.827 50 0 IDAARN CC[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000095461715 569369910 /nfs/dbraw/zinc/36/99/10/569369910.db2.gz FJGJEEPSXJOYMH-VQTJNVASSA-N 0 0 439.578 1.506 50 0 IDAARN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000095461859 569370042 /nfs/dbraw/zinc/37/00/42/569370042.db2.gz SQDBXBYEVDRQAZ-KRWDZBQOSA-N 0 0 425.507 1.315 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(C)nn(C)c3C)CC2)cc1 ZINC000095474799 569372636 /nfs/dbraw/zinc/37/26/36/569372636.db2.gz JPGXCYLVMLULQL-UHFFFAOYSA-N 0 0 447.561 1.712 50 0 IDAARN Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000095476003 569372926 /nfs/dbraw/zinc/37/29/26/569372926.db2.gz SDRZKCROAHFAQO-VMPITWQZSA-N 0 0 438.572 1.754 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)C[C@@H](Cn2cnnn2)c2ccc(Cl)cc2)cc1 ZINC000095477566 569373151 /nfs/dbraw/zinc/37/31/51/569373151.db2.gz DEVSSGFYUIHARH-HNNXBMFYSA-N 0 0 434.909 1.464 50 0 IDAARN O=C(NCCCc1nnc2ccccn21)c1cc(Br)ccc1-n1cnnn1 ZINC000095478120 569373312 /nfs/dbraw/zinc/37/33/12/569373312.db2.gz BTLOXZVBYZVVFS-UHFFFAOYSA-N 0 0 427.266 1.830 50 0 IDAARN Cc1nc2ccccc2n(CCNC(=O)CNC(=O)c2ccc(Br)o2)c1=O ZINC000095943975 569375700 /nfs/dbraw/zinc/37/57/00/569375700.db2.gz MUKBVVULJYLYEH-UHFFFAOYSA-N 0 0 433.262 1.607 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4c(NCCO)n3)CC2)cc1 ZINC000095947957 569376466 /nfs/dbraw/zinc/37/64/66/569376466.db2.gz FWBUKZGSAMIWLR-UHFFFAOYSA-N 0 0 443.529 1.554 50 0 IDAARN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000095959108 569376950 /nfs/dbraw/zinc/37/69/50/569376950.db2.gz CJVXMDIESHIILA-KBPBESRZSA-N 0 0 442.559 1.958 50 0 IDAARN COC(=O)[C@@H](CNC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)Cc1ccc(O)cc1 ZINC000095963141 569377239 /nfs/dbraw/zinc/37/72/39/569377239.db2.gz DWOFOFSDMONIKW-IAGOWNOFSA-N 0 0 439.468 1.751 50 0 IDAARN CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(S(C)(=O)=O)CC1 ZINC000095976772 569377585 /nfs/dbraw/zinc/37/75/85/569377585.db2.gz SYMZPXHHOGHSHJ-UHFFFAOYSA-N 0 0 427.548 1.601 50 0 IDAARN O=C(NC[C@H]1COC2(CCOCC2)O1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000095991645 569378152 /nfs/dbraw/zinc/37/81/52/569378152.db2.gz LBHFFRPBLHQUEC-JKSUJKDBSA-N 0 0 426.922 1.893 50 0 IDAARN COC(=O)C1(CNC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)CCOCC1 ZINC000096006473 569379335 /nfs/dbraw/zinc/37/93/35/569379335.db2.gz CAYWUYZHSJUOQY-JTQLQIEISA-N 0 0 433.324 1.715 50 0 IDAARN CC(=O)NCCN(CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H](C)C(=O)OC(C)(C)C ZINC000096004586 569379353 /nfs/dbraw/zinc/37/93/53/569379353.db2.gz OHANFOVOAGXPDY-OAHLLOKOSA-N 0 0 435.521 1.955 50 0 IDAARN CCOC(=O)c1sc(NC(=O)N2CCO[C@H](C(=O)NC)C2)c(C(=O)OCC)c1C ZINC000096005563 569379375 /nfs/dbraw/zinc/37/93/75/569379375.db2.gz DUSPJHSQFINHTJ-NSHDSACASA-N 0 0 427.479 1.389 50 0 IDAARN Cn1nc(-c2ccccc2NC(=O)c2c[nH]c(=O)n(-c3ccccc3F)c2=O)ccc1=O ZINC000096025139 569380606 /nfs/dbraw/zinc/38/06/06/569380606.db2.gz HQIOCSLRFHKXRK-UHFFFAOYSA-N 0 0 433.399 1.678 50 0 IDAARN Cn1c2cc(S(=O)(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)ccc2oc1=O ZINC000096025692 569380721 /nfs/dbraw/zinc/38/07/21/569380721.db2.gz PJDDOIAOTHHHRM-UHFFFAOYSA-N 0 0 431.470 1.334 50 0 IDAARN Cn1c2cc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)ccc2oc1=O ZINC000096025710 569380820 /nfs/dbraw/zinc/38/08/20/569380820.db2.gz PLNXRWRWXATNTL-UHFFFAOYSA-N 0 0 434.493 1.371 50 0 IDAARN O=c1n(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(-c2cccs2)n1C1CC1 ZINC000096096679 569381337 /nfs/dbraw/zinc/38/13/37/569381337.db2.gz HFIIGGHKGFBEAS-UHFFFAOYSA-N 0 0 448.526 1.858 50 0 IDAARN CO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccsc1 ZINC000096097481 569381421 /nfs/dbraw/zinc/38/14/21/569381421.db2.gz VFWHJWFVCZPNRR-KRWDZBQOSA-N 0 0 437.543 1.903 50 0 IDAARN Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1 ZINC000096104341 569382117 /nfs/dbraw/zinc/38/21/17/569382117.db2.gz JXVGPWALOMZGFN-UHFFFAOYSA-N 0 0 428.576 1.622 50 0 IDAARN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000096105228 569382221 /nfs/dbraw/zinc/38/22/21/569382221.db2.gz LXVQLBBLMVEORK-UHFFFAOYSA-N 0 0 434.504 1.749 50 0 IDAARN Cn1c(=O)oc2ccc(S(=O)(=O)N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)cc21 ZINC000096104451 569382226 /nfs/dbraw/zinc/38/22/26/569382226.db2.gz OQODCYAGCTYMIB-UHFFFAOYSA-N 0 0 442.902 1.632 50 0 IDAARN O=C(CCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000096115964 569383407 /nfs/dbraw/zinc/38/34/07/569383407.db2.gz YEXMHPKHBKMNEG-SFHVURJKSA-N 0 0 432.440 1.377 50 0 biogenic IDAARN CC(C)CS(=O)(=O)C1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000096121999 569385155 /nfs/dbraw/zinc/38/51/55/569385155.db2.gz QDPYNYILSKBGCC-UHFFFAOYSA-N 0 0 444.619 1.934 50 0 IDAARN CCOC(=O)c1sc(NC(=O)C2CCN(c3cc(-n4cncn4)ncn3)CC2)nc1C ZINC000096123983 569385291 /nfs/dbraw/zinc/38/52/91/569385291.db2.gz JGUWFPXOJSVBNL-UHFFFAOYSA-N 0 0 442.505 1.854 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)CC1 ZINC000096124014 569385432 /nfs/dbraw/zinc/38/54/32/569385432.db2.gz NBLYXNAZAXYIGI-OAHLLOKOSA-N 0 0 428.497 1.011 50 0 IDAARN CCOC(=O)c1csc(NC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)n1 ZINC000096124170 569385537 /nfs/dbraw/zinc/38/55/37/569385537.db2.gz XGXAFPXDKLTFFB-UHFFFAOYSA-N 0 0 428.478 1.546 50 0 IDAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000096221188 569386850 /nfs/dbraw/zinc/38/68/50/569386850.db2.gz CWLSJVYRWQAWMY-KRWDZBQOSA-N 0 0 427.457 1.839 50 0 biogenic IDAARN COc1ccc(CCNC(=O)CC[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000096222005 569387041 /nfs/dbraw/zinc/38/70/41/569387041.db2.gz AOGNVPQRXVHREZ-SFHVURJKSA-N 0 0 439.468 1.983 50 0 biogenic IDAARN COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000096223755 569387364 /nfs/dbraw/zinc/38/73/64/569387364.db2.gz LXTTVAGZZSIRSB-SFHVURJKSA-N 0 0 431.489 1.350 50 0 IDAARN COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NC[C@@H]2CCCO2)C3)cc1 ZINC000096287248 569390310 /nfs/dbraw/zinc/39/03/10/569390310.db2.gz MRRHXAIEXPACKX-QFBILLFUSA-N 0 0 442.516 1.561 50 0 IDAARN O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2 ZINC000096321811 569394182 /nfs/dbraw/zinc/39/41/82/569394182.db2.gz DVHZEJIXWNDZHO-UHFFFAOYSA-N 0 0 427.438 1.121 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000096323265 569395098 /nfs/dbraw/zinc/39/50/98/569395098.db2.gz GZZVUQXLNFCYAV-OAHLLOKOSA-N 0 0 440.953 1.991 50 0 IDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1Cl ZINC000096323268 569395128 /nfs/dbraw/zinc/39/51/28/569395128.db2.gz ZCVFLIFPWWQBHN-UHFFFAOYSA-N 0 0 440.953 1.775 50 0 IDAARN CC(=O)Nc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 ZINC000096323236 569395129 /nfs/dbraw/zinc/39/51/29/569395129.db2.gz YZZPPRZPRSGINL-UHFFFAOYSA-N 0 0 433.534 1.071 50 0 IDAARN Cc1nn(CC(=O)NCCCN2CCOCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400151 569400341 /nfs/dbraw/zinc/40/03/41/569400341.db2.gz PZZUTOVUDWBFMD-UHFFFAOYSA-N 0 0 427.530 1.667 50 0 IDAARN CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 ZINC000096593952 569402070 /nfs/dbraw/zinc/40/20/70/569402070.db2.gz MWPCTRFDTCYMKT-INIZCTEOSA-N 0 0 439.534 1.566 50 0 IDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000225600196 569405478 /nfs/dbraw/zinc/40/54/78/569405478.db2.gz PVKIKEWYJLVAFF-UHFFFAOYSA-N 0 0 440.547 1.047 50 0 IDAARN O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccccn1 ZINC000002493595 569405575 /nfs/dbraw/zinc/40/55/75/569405575.db2.gz FFHKAHZLSLOQTF-UHFFFAOYSA-N 0 0 439.541 1.945 50 0 IDAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@]2(O)CCCc3cc(OC)ccc32)c1 ZINC000225713247 569407469 /nfs/dbraw/zinc/40/74/69/569407469.db2.gz ZVPKKQLRYPOASR-OAQYLSRUSA-N 0 0 435.498 1.993 50 0 IDAARN CS(=O)(=O)Nc1cccc(CNC(=O)NCc2ccccc2CN2CCOCC2)c1 ZINC000028423641 569409908 /nfs/dbraw/zinc/40/99/08/569409908.db2.gz LWDWWDPATZVESI-UHFFFAOYSA-N 0 0 432.546 1.890 50 0 IDAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(N)=O)c1 ZINC000002633704 569412644 /nfs/dbraw/zinc/41/26/44/569412644.db2.gz UFNHCKMEOJHASY-UHFFFAOYSA-N 0 0 439.877 1.512 50 0 IDAARN COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3c[nH]c(=O)[nH]c3=O)cc2)cc1 ZINC000002638202 569413236 /nfs/dbraw/zinc/41/32/36/569413236.db2.gz UIVMXEAWQRVTFV-UHFFFAOYSA-N 0 0 438.396 1.120 50 0 IDAARN CCc1cc2c(nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(C)c2=O)s1 ZINC000002640349 569413667 /nfs/dbraw/zinc/41/36/67/569413667.db2.gz NTLOKCVMYFDVEI-UHFFFAOYSA-N 0 0 438.556 1.936 50 0 IDAARN CCCN(CC1CC1)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc2nsnc21 ZINC000002643367 569413877 /nfs/dbraw/zinc/41/38/77/569413877.db2.gz ZGIBWZGIVHJYCQ-LBPRGKRZSA-N 0 0 440.547 1.550 50 0 IDAARN Cc1cc(C(=O)CSc2nnc(C)c(=O)n2N)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002652249 569414966 /nfs/dbraw/zinc/41/49/66/569414966.db2.gz LFIMVVUXZXLGSL-HNNXBMFYSA-N 0 0 441.513 1.894 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(C)Cc1ccccc1 ZINC000002659300 569415742 /nfs/dbraw/zinc/41/57/42/569415742.db2.gz SGNMJMMSEMWAIF-UHFFFAOYSA-N 0 0 446.525 1.831 50 0 IDAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnnn2C)cc1 ZINC000002663836 569416356 /nfs/dbraw/zinc/41/63/56/569416356.db2.gz ZBGKUKOPZBSTFB-UHFFFAOYSA-N 0 0 426.502 1.922 50 0 IDAARN Cc1cccn2c1nc1sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc1c2=O ZINC000002722926 569418335 /nfs/dbraw/zinc/41/83/35/569418335.db2.gz FPYIXMMAMSITNV-UHFFFAOYSA-N 0 0 442.522 1.838 50 0 IDAARN COc1cccc(-n2c(N)c3c(C)nnc-3nc2SCC(=O)NC[C@H]2CCCO2)c1 ZINC000002927098 569425781 /nfs/dbraw/zinc/42/57/81/569425781.db2.gz VJMBKBYPLCWFCY-OAHLLOKOSA-N 0 0 428.518 1.932 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000056938793 569427831 /nfs/dbraw/zinc/42/78/31/569427831.db2.gz GFUIKEAOSHCDBW-QGZVFWFLSA-N 0 0 449.552 1.759 50 0 IDAARN COCCNC(=O)COc1coc(CN2CCN(c3ccccc3OC)CC2)cc1=O ZINC000056949934 569428351 /nfs/dbraw/zinc/42/83/51/569428351.db2.gz HJUCJIQWNDIHDL-UHFFFAOYSA-N 0 0 431.489 1.112 50 0 IDAARN Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000056999877 569429140 /nfs/dbraw/zinc/42/91/40/569429140.db2.gz HAVPDBSQEJIJKN-UHFFFAOYSA-N 0 0 428.512 1.067 50 0 IDAARN COCCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)CC1 ZINC000226853144 569429784 /nfs/dbraw/zinc/42/97/84/569429784.db2.gz AITUWCOGGAMESG-MRXNPFEDSA-N 0 0 436.534 1.196 50 0 IDAARN CCOC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000002970464 569433419 /nfs/dbraw/zinc/43/34/19/569433419.db2.gz ISHVECDOOSQHMC-UHFFFAOYSA-N 0 0 447.538 1.942 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000057415826 569434216 /nfs/dbraw/zinc/43/42/16/569434216.db2.gz ROWBZNWQXMJMCU-LJQANCHMSA-N 0 0 430.505 1.454 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)CC2=O)cc1 ZINC000057416718 569434299 /nfs/dbraw/zinc/43/42/99/569434299.db2.gz XBRXLHQEXSIVPO-SFHVURJKSA-N 0 0 435.480 1.488 50 0 IDAARN COCCNC(=O)Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O ZINC000057504466 569438142 /nfs/dbraw/zinc/43/81/42/569438142.db2.gz QYYURZMDNJVXQK-UHFFFAOYSA-N 0 0 428.836 1.629 50 0 IDAARN O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)NC[C@H]1CCCO1 ZINC000057504219 569438148 /nfs/dbraw/zinc/43/81/48/569438148.db2.gz DQFOZTIQINWAGH-OAHLLOKOSA-N 0 0 438.419 1.647 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@H](c1cccs1)N1CCOCC1)C2=O ZINC000230113864 569438327 /nfs/dbraw/zinc/43/83/27/569438327.db2.gz OMBTXRBPJZOEOW-ZOCZFRKYSA-N 0 0 434.562 1.738 50 0 IDAARN CCOc1ccc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1 ZINC000057520423 569438746 /nfs/dbraw/zinc/43/87/46/569438746.db2.gz QUPNROHAVVUOSF-UHFFFAOYSA-N 0 0 429.502 1.794 50 0 IDAARN COc1ccc(C)cc1NC(=O)Cn1c2nc(N3CCCC3)sc2c(=O)n(C)c1=O ZINC000057520699 569438783 /nfs/dbraw/zinc/43/87/83/569438783.db2.gz JPCGQORWJJKRBI-UHFFFAOYSA-N 0 0 429.502 1.713 50 0 IDAARN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000230217717 569440114 /nfs/dbraw/zinc/44/01/14/569440114.db2.gz KDVSOGNZGNIXIC-LQWHRVPQSA-N 0 0 437.562 1.363 50 0 IDAARN O=C([C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000230278245 569440649 /nfs/dbraw/zinc/44/06/49/569440649.db2.gz PYNPAQTUPDNUCS-SQNIBIBYSA-N 0 0 435.480 1.571 50 0 biogenic IDAARN CS(=O)(=O)N1CCN(C(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 ZINC000057713737 569441057 /nfs/dbraw/zinc/44/10/57/569441057.db2.gz GQDSVYZCGYLHLR-UHFFFAOYSA-N 0 0 434.484 1.821 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003190688 569441493 /nfs/dbraw/zinc/44/14/93/569441493.db2.gz QJLWZLBGDIZMGM-UHFFFAOYSA-N 0 0 441.531 1.382 50 0 IDAARN COC(=O)c1ccc(CNC(=O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030590529 569444367 /nfs/dbraw/zinc/44/43/67/569444367.db2.gz NAGGEQCCKUUVSY-UHFFFAOYSA-N 0 0 449.511 1.957 50 0 IDAARN CC(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000003295138 569444670 /nfs/dbraw/zinc/44/46/70/569444670.db2.gz ZFTDRJOZCSRODO-UHFFFAOYSA-N 0 0 433.486 1.903 50 0 IDAARN CC(C)Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc2c1=O ZINC000003303889 569445167 /nfs/dbraw/zinc/44/51/67/569445167.db2.gz WWLBHNFFDWRJTO-UHFFFAOYSA-N 0 0 429.502 1.007 50 0 IDAARN CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000003305756 569445235 /nfs/dbraw/zinc/44/52/35/569445235.db2.gz BNVCDQBNCYRKPY-UHFFFAOYSA-N 0 0 429.429 1.502 50 0 IDAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1ccc(F)cc1 ZINC000003317893 569445803 /nfs/dbraw/zinc/44/58/03/569445803.db2.gz ZCPXWAWEDSJHSD-UHFFFAOYSA-N 0 0 440.424 1.781 50 0 IDAARN Cc1cccc(-c2nnc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2C)c1 ZINC000003322733 569446011 /nfs/dbraw/zinc/44/60/11/569446011.db2.gz ZABKUDUPOVVAHR-UHFFFAOYSA-N 0 0 445.570 1.889 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1 ZINC000003335458 569446583 /nfs/dbraw/zinc/44/65/83/569446583.db2.gz NFYXSNSRIOLPHU-UHFFFAOYSA-N 0 0 437.421 1.427 50 0 IDAARN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000003350757 569447369 /nfs/dbraw/zinc/44/73/69/569447369.db2.gz HNDXUALNYDCEQO-HXUWFJFHSA-N 0 0 445.516 1.632 50 0 IDAARN COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 ZINC000003374503 569448622 /nfs/dbraw/zinc/44/86/22/569448622.db2.gz LNJZOQFUHHJLRU-INIZCTEOSA-N 0 0 435.527 1.395 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000058157594 569449013 /nfs/dbraw/zinc/44/90/13/569449013.db2.gz FQTNRZHWSFHANT-UHFFFAOYSA-N 0 0 446.529 1.133 50 0 IDAARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000003395165 569449378 /nfs/dbraw/zinc/44/93/78/569449378.db2.gz IMIXJFGCWUSEQR-UHFFFAOYSA-N 0 0 445.925 1.906 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 ZINC000670441500 569449385 /nfs/dbraw/zinc/44/93/85/569449385.db2.gz MWQLJJBMPWXMLX-OXQOHEQNSA-N 0 0 442.603 1.978 50 0 IDAARN C[C@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)n3cc(Br)ccc3n1)CS2 ZINC000003397411 569449476 /nfs/dbraw/zinc/44/94/76/569449476.db2.gz SXZQAKATRVHUGV-SJCJKPOMSA-N 0 0 438.303 1.954 50 0 IDAARN COC(=O)/C=C1\SCC(=O)N1CCCN1C(=O)C(=O)N([C@H](C)c2ccccc2)C1=O ZINC000058180470 569449898 /nfs/dbraw/zinc/44/98/98/569449898.db2.gz SBYUUSBAFLIYCV-YYTPVVGHSA-N 0 0 431.470 1.518 50 0 IDAARN COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000003408612 569449974 /nfs/dbraw/zinc/44/99/74/569449974.db2.gz ZWOZHAXLGFYSPX-QFIPXVFZSA-N 0 0 425.441 1.593 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000003412308 569450084 /nfs/dbraw/zinc/45/00/84/569450084.db2.gz ACLDFXSQYAQFQH-UHFFFAOYSA-N 0 0 441.506 1.479 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 ZINC000003450984 569451676 /nfs/dbraw/zinc/45/16/76/569451676.db2.gz KPDYAHXCGHWFMA-UHFFFAOYSA-N 0 0 429.454 1.831 50 0 IDAARN CCc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)s2)cc1 ZINC000003461562 569451965 /nfs/dbraw/zinc/45/19/65/569451965.db2.gz RFMDDZGGKHMKJO-UHFFFAOYSA-N 0 0 432.531 1.799 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000003486991 569452464 /nfs/dbraw/zinc/45/24/64/569452464.db2.gz SVJSTRYKHJLELG-UHFFFAOYSA-N 0 0 428.507 1.920 50 0 IDAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(=O)Nc3ccccc3C(N)=O)C2)cc1 ZINC000058325043 569453082 /nfs/dbraw/zinc/45/30/82/569453082.db2.gz XVZAETNESSDUQQ-KRWDZBQOSA-N 0 0 444.557 1.723 50 0 IDAARN Cc1c(NC(=O)NCCCn2nc3n(c2=O)CCCC3)c(=O)n(-c2ccccc2)n1C ZINC000058357800 569453627 /nfs/dbraw/zinc/45/36/27/569453627.db2.gz QLSKZXXNYKICAQ-UHFFFAOYSA-N 0 0 425.493 1.391 50 0 IDAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000003593679 569454651 /nfs/dbraw/zinc/45/46/51/569454651.db2.gz STADJFLLGCQLTG-OAQYLSRUSA-N 0 0 444.875 1.685 50 0 IDAARN COc1ccc(OC)c2c1CN(CN1c3cc4c(cc3C(=O)C1=O)OCCO4)C[C@H]2O ZINC000031783744 569457351 /nfs/dbraw/zinc/45/73/51/569457351.db2.gz IVBPNKFLJMNJKK-OAHLLOKOSA-N 0 0 426.425 1.511 50 0 IDAARN O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000031810676 569457668 /nfs/dbraw/zinc/45/76/68/569457668.db2.gz NLFRCMFAOAMPBL-NRFANRHFSA-N 0 0 434.540 1.890 50 0 IDAARN CN1CCc2c3c(N)c(C(=O)NC[C@@H]4CCCO4)sc3nc(N3CCOCC3)c2C1 ZINC000031811448 569457859 /nfs/dbraw/zinc/45/78/59/569457859.db2.gz GZNBOOXBTCGPMY-ZDUSSCGKSA-N 0 0 431.562 1.612 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)s2)CC1 ZINC000031813600 569457886 /nfs/dbraw/zinc/45/78/86/569457886.db2.gz LAWYYPABFHSOGN-UHFFFAOYSA-N 0 0 426.520 1.193 50 0 IDAARN COCCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O ZINC000032070328 569459177 /nfs/dbraw/zinc/45/91/77/569459177.db2.gz PEEWTYAKNGVKEQ-UHFFFAOYSA-N 0 0 431.470 1.432 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 ZINC000032071270 569459220 /nfs/dbraw/zinc/45/92/20/569459220.db2.gz NZWBAAPRENOMJK-SFHVURJKSA-N 0 0 436.512 1.513 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000032094208 569459776 /nfs/dbraw/zinc/45/97/76/569459776.db2.gz VBJNEYYIDMBRNG-AWEZNQCLSA-N 0 0 425.441 1.922 50 0 IDAARN COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000059283303 569460744 /nfs/dbraw/zinc/46/07/44/569460744.db2.gz OSEPBYDIGCAOKG-LJQANCHMSA-N 0 0 437.496 1.548 50 0 IDAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000032443494 569461670 /nfs/dbraw/zinc/46/16/70/569461670.db2.gz ILCNFQZCNGCXRK-ZDUSSCGKSA-N 0 0 425.429 1.632 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670468601 569462383 /nfs/dbraw/zinc/46/23/83/569462383.db2.gz QXYGWMJXOLZYBP-PDGCRQIGSA-N 0 0 427.570 1.850 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)NCc1nc(-c2ccccc2)no1 ZINC000038488410 569462986 /nfs/dbraw/zinc/46/29/86/569462986.db2.gz HCNWYALKIMQLKP-MRXNPFEDSA-N 0 0 429.502 1.768 50 0 IDAARN Cn1cc(C(=O)N2CCCC2)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1=O ZINC000038492530 569463165 /nfs/dbraw/zinc/46/31/65/569463165.db2.gz FVDUHYSHJRNGAP-CQSZACIVSA-N 0 0 426.448 1.752 50 0 IDAARN COCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2)c(N2CCOCC2)n1 ZINC000067219843 569465061 /nfs/dbraw/zinc/46/50/61/569465061.db2.gz IDFWZBCKJHPNLQ-UHFFFAOYSA-N 0 0 437.294 1.628 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(COC)nc1N1CCOCC1 ZINC000067219819 569465033 /nfs/dbraw/zinc/46/50/33/569465033.db2.gz DXYUEVLHJBGFJM-UHFFFAOYSA-N 0 0 430.461 1.042 50 0 IDAARN COCc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCOCC2)n1 ZINC000067219748 569465045 /nfs/dbraw/zinc/46/50/45/569465045.db2.gz AXOYJDAOBBUHDE-UHFFFAOYSA-N 0 0 426.395 1.884 50 0 IDAARN CCCCNC(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O ZINC000067225584 569465143 /nfs/dbraw/zinc/46/51/43/569465143.db2.gz WPWYBARDJAZZRY-UHFFFAOYSA-N 0 0 432.550 1.264 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(O)cc1 ZINC000008454872 569465161 /nfs/dbraw/zinc/46/51/61/569465161.db2.gz GEQMWMFTIUUTBH-RPXHZFJKSA-N 0 0 438.509 1.546 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)NCc4ccc(C)cc4)c(=O)c3s2)CC1 ZINC000067225897 569465227 /nfs/dbraw/zinc/46/52/27/569465227.db2.gz XHMVPRYAGPTNDN-UHFFFAOYSA-N 0 0 426.546 1.620 50 0 IDAARN COc1ccccc1-n1ccn(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(=O)c1=O ZINC000067256447 569466109 /nfs/dbraw/zinc/46/61/09/569466109.db2.gz GQKGWVAYVMNTTE-UHFFFAOYSA-N 0 0 441.440 1.672 50 0 IDAARN Cc1cc(C)n(-c2cc(NCCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ncn2)n1 ZINC000038670404 569466385 /nfs/dbraw/zinc/46/63/85/569466385.db2.gz ZIQYSDKABYPCTL-UHFFFAOYSA-N 0 0 443.533 1.371 50 0 IDAARN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(F)c(F)c1 ZINC000067285957 569466902 /nfs/dbraw/zinc/46/69/02/569466902.db2.gz ZFBVVBZKOFRBAK-SFHVURJKSA-N 0 0 437.443 1.975 50 0 IDAARN CCOC(=O)N1CCN(CC2=NC(=O)N[C@H](c3cccc(OC)c3)C2C(=O)OC)CC1 ZINC000067287829 569467243 /nfs/dbraw/zinc/46/72/43/569467243.db2.gz HQSQIMYTESYVCX-GOSISDBHSA-N 0 0 432.477 1.250 50 0 IDAARN CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3OCC)NC(=O)N2)CC1 ZINC000067287907 569467352 /nfs/dbraw/zinc/46/73/52/569467352.db2.gz BACHNVMGBUOAAW-IBGZPJMESA-N 0 0 446.504 1.640 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 ZINC000067318833 569468509 /nfs/dbraw/zinc/46/85/09/569468509.db2.gz UIRDQUUTERLLOP-UHFFFAOYSA-N 0 0 449.463 1.899 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2ccn(-c3ccccc3C)c(=O)c2=O)CC1 ZINC000067320574 569468649 /nfs/dbraw/zinc/46/86/49/569468649.db2.gz KXXZAWUCHULRHD-UHFFFAOYSA-N 0 0 434.496 1.665 50 0 IDAARN COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1N ZINC000067336240 569468902 /nfs/dbraw/zinc/46/89/02/569468902.db2.gz PQXMRJKMKXQZHS-UHFFFAOYSA-N 0 0 440.909 1.897 50 0 IDAARN CCn1cc(C(=O)NC2CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338462 569468995 /nfs/dbraw/zinc/46/89/95/569468995.db2.gz FUBCVBXVLBODDO-UHFFFAOYSA-N 0 0 431.562 1.923 50 0 IDAARN CC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C ZINC000008704586 569470257 /nfs/dbraw/zinc/47/02/57/569470257.db2.gz XMTOVVBQYVRXOU-CYBMUJFWSA-N 0 0 428.880 1.944 50 0 IDAARN COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000008708904 569470759 /nfs/dbraw/zinc/47/07/59/569470759.db2.gz HTICCLPDELPPLE-CYBMUJFWSA-N 0 0 429.477 1.348 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O ZINC000008718333 569471259 /nfs/dbraw/zinc/47/12/59/569471259.db2.gz OTDITPFIBWZSCY-HXUWFJFHSA-N 0 0 443.533 1.855 50 0 IDAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000008718462 569471264 /nfs/dbraw/zinc/47/12/64/569471264.db2.gz JHQJSMXNCJJRPE-GUTXKFCHSA-N 0 0 447.513 1.695 50 0 IDAARN COC(=O)Cc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000008720708 569471620 /nfs/dbraw/zinc/47/16/20/569471620.db2.gz VGFNLSSGLDZEJB-CYBMUJFWSA-N 0 0 432.502 1.854 50 0 IDAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CNC(=O)COc1ccccc1 ZINC000008724897 569472102 /nfs/dbraw/zinc/47/21/02/569472102.db2.gz IBRUPKVNOMKLSE-INIZCTEOSA-N 0 0 438.484 1.404 50 0 IDAARN CCn1c(CN(C)CC(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008725544 569472123 /nfs/dbraw/zinc/47/21/23/569472123.db2.gz KNHBQLVJCIEBFF-UHFFFAOYSA-N 0 0 449.577 1.131 50 0 IDAARN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000008747758 569473141 /nfs/dbraw/zinc/47/31/41/569473141.db2.gz XMSWFQJQCXZWKQ-IBGZPJMESA-N 0 0 445.273 1.954 50 0 IDAARN Nc1c(N(CCCO)C(=O)c2cc3ccccc3o2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000008754788 569473871 /nfs/dbraw/zinc/47/38/71/569473871.db2.gz KXUYKZUVOQOMAH-UHFFFAOYSA-N 0 0 434.452 1.943 50 0 IDAARN C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008760450 569474243 /nfs/dbraw/zinc/47/42/43/569474243.db2.gz QDZXBMVBTFSPAQ-GOEBONIOSA-N 0 0 445.497 1.253 50 0 IDAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000008764458 569474600 /nfs/dbraw/zinc/47/46/00/569474600.db2.gz QYEJYNLGGVATQN-QZTJIDSGSA-N 0 0 429.450 1.113 50 0 biogenic IDAARN COc1cc2c(c3oc(=O)c(CCC(=O)N(C)C[C@@H](O)CO)c(C)c13)CCC(C)(C)O2 ZINC000008764760 569474656 /nfs/dbraw/zinc/47/46/56/569474656.db2.gz ZDQXIUKRLJYSGU-CQSZACIVSA-N 0 0 433.501 1.958 50 0 biogenic IDAARN CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000008780336 569475628 /nfs/dbraw/zinc/47/56/28/569475628.db2.gz WNIAJXAYJNJVMB-AWEZNQCLSA-N 0 0 439.563 1.999 50 0 IDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@@H](CCC(=O)[O-])[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000008790436 569476030 /nfs/dbraw/zinc/47/60/30/569476030.db2.gz BMRYPTQIJUYKGS-BINBFKAUSA-N 0 0 447.491 1.823 50 0 biogenic IDAARN CC[C@H](C)N(C(=O)COC(=O)c1cncc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008824622 569477239 /nfs/dbraw/zinc/47/72/39/569477239.db2.gz YAARNNXVCJLYID-FZMZJTMJSA-N 0 0 433.324 1.815 50 0 IDAARN CCCOc1c(Cl)cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC ZINC000008824726 569477261 /nfs/dbraw/zinc/47/72/61/569477261.db2.gz TYTIMQSOXGKDPV-CYBMUJFWSA-N 0 0 433.910 1.988 50 0 IDAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)n1 ZINC000008825946 569477515 /nfs/dbraw/zinc/47/75/15/569477515.db2.gz HIBQHHLTGRKXPG-UHFFFAOYSA-N 0 0 433.428 1.252 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccccc2)cc1 ZINC000008848689 569479193 /nfs/dbraw/zinc/47/91/93/569479193.db2.gz SIYACPUKAREEOA-UHFFFAOYSA-N 0 0 435.440 1.372 50 0 IDAARN CN(Cc1nc2ccccc2s1)C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000008850147 569479304 /nfs/dbraw/zinc/47/93/04/569479304.db2.gz UYMKIAOKEDSYQU-UHFFFAOYSA-N 0 0 446.554 1.901 50 0 IDAARN Cc1ccsc1CN(C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008855624 569479667 /nfs/dbraw/zinc/47/96/67/569479667.db2.gz UAIATJOHZWJSRR-UHFFFAOYSA-N 0 0 427.530 1.632 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000008861562 569480029 /nfs/dbraw/zinc/48/00/29/569480029.db2.gz DZLIFKQHPGMAKV-AWEZNQCLSA-N 0 0 434.452 1.706 50 0 IDAARN COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c1 ZINC000008870926 569480612 /nfs/dbraw/zinc/48/06/12/569480612.db2.gz NGIGOHKFWWBOHF-UHFFFAOYSA-N 0 0 447.513 1.809 50 0 IDAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000039488478 569481682 /nfs/dbraw/zinc/48/16/82/569481682.db2.gz NDLNMXONQXBWCG-QNGOZBTKSA-N 0 0 444.509 1.928 50 0 IDAARN CC(C)[C@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)NC(N)=O ZINC000039581800 569481764 /nfs/dbraw/zinc/48/17/64/569481764.db2.gz UEAQYRUWQAHOHD-KRWDZBQOSA-N 0 0 433.486 1.541 50 0 IDAARN COc1cccc([C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)c2c[nH]c3ccccc32)c1OC ZINC000040007664 569482525 /nfs/dbraw/zinc/48/25/25/569482525.db2.gz BKVDXTZLOKFNQD-SFHVURJKSA-N 0 0 448.479 1.983 50 0 IDAARN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000040012247 569482539 /nfs/dbraw/zinc/48/25/39/569482539.db2.gz SKWUOQPHBWOANJ-CQSZACIVSA-N 0 0 435.546 1.197 50 0 IDAARN Cc1cc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000040013116 569482598 /nfs/dbraw/zinc/48/25/98/569482598.db2.gz BGLOOSPJKOGOLB-UHFFFAOYSA-N 0 0 448.423 1.767 50 0 IDAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3nc4nc(C)cc(C)n4n3)ccc21 ZINC000008884634 569483136 /nfs/dbraw/zinc/48/31/36/569483136.db2.gz VGDRFCLLVGQQRN-UHFFFAOYSA-N 0 0 443.485 1.493 50 0 IDAARN COc1ccc(-c2noc(CN3CCN(C(=O)Cn4c5ccccc5oc4=O)CC3)n2)cc1 ZINC000040037667 569483278 /nfs/dbraw/zinc/48/32/78/569483278.db2.gz ZYNBYDOARBJXPB-UHFFFAOYSA-N 0 0 449.467 1.998 50 0 IDAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000008897925 569483997 /nfs/dbraw/zinc/48/39/97/569483997.db2.gz QXDSXKHNPZKJNE-LFVRLGFBSA-N 0 0 434.452 1.980 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000040059639 569484753 /nfs/dbraw/zinc/48/47/53/569484753.db2.gz IHKXHLZWHVOACC-UHFFFAOYSA-N 0 0 439.299 1.596 50 0 IDAARN CCOC(=O)C(NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(=O)OCC ZINC000040069733 569485459 /nfs/dbraw/zinc/48/54/59/569485459.db2.gz WGZITQPGYKMNOP-LLVKDONJSA-N 0 0 441.278 1.413 50 0 IDAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CN(C)c2ncccn2)cc1 ZINC000040072740 569485964 /nfs/dbraw/zinc/48/59/64/569485964.db2.gz BPJZCVUIYFUECO-CQSZACIVSA-N 0 0 435.506 1.170 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)C[C@@H](C)O1 ZINC000040086123 569486646 /nfs/dbraw/zinc/48/66/46/569486646.db2.gz LIMBIHZNBHZACT-HUUCEWRRSA-N 0 0 432.384 1.921 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000040086121 569486660 /nfs/dbraw/zinc/48/66/60/569486660.db2.gz LIMBIHZNBHZACT-GASCZTMLSA-N 0 0 432.384 1.921 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nc(N)nc(N)n2)ccc1C ZINC000008922467 569486923 /nfs/dbraw/zinc/48/69/23/569486923.db2.gz RNLBDNIUGVRLHC-LLVKDONJSA-N 0 0 439.567 1.494 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nc(N)nc(N)n2)ccc1C ZINC000008922470 569486941 /nfs/dbraw/zinc/48/69/41/569486941.db2.gz RNLBDNIUGVRLHC-NSHDSACASA-N 0 0 439.567 1.494 50 0 IDAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1nnnn1-c1ccccc1 ZINC000040089679 569487105 /nfs/dbraw/zinc/48/71/05/569487105.db2.gz ITBLCXQYBHQDJQ-AWEZNQCLSA-N 0 0 432.531 1.932 50 0 IDAARN CN(CC(=O)N1CSC[C@H]1C(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040089955 569487384 /nfs/dbraw/zinc/48/73/84/569487384.db2.gz GCYWWZFKSKEUSI-INIZCTEOSA-N 0 0 445.994 1.875 50 0 IDAARN COc1ccc(CCNC(=O)[C@H]2CCCN2c2nn3c(nc(C)cc3=O)s2)cc1OC ZINC000008933813 569487848 /nfs/dbraw/zinc/48/78/48/569487848.db2.gz WWHZUWVQVCPORR-OAHLLOKOSA-N 0 0 443.529 1.804 50 0 IDAARN CS(=O)(=O)N(CCCNC(=O)c1cccnc1OCC(F)(F)F)Cc1cccnc1 ZINC000040105355 569488213 /nfs/dbraw/zinc/48/82/13/569488213.db2.gz RTXIPEGYAVZUEK-UHFFFAOYSA-N 0 0 446.451 1.999 50 0 IDAARN COc1ccccc1COC[C@H](O)CN1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000040105780 569488265 /nfs/dbraw/zinc/48/82/65/569488265.db2.gz XNJWXTLNFRZYAU-HXUWFJFHSA-N 0 0 429.565 1.708 50 0 IDAARN COc1ccc(-n2ncc(C(=O)NC3CCN(c4ncccn4)CC3)c2C(F)(F)F)nn1 ZINC000040108845 569488522 /nfs/dbraw/zinc/48/85/22/569488522.db2.gz QNGMTMLNLBXUMP-UHFFFAOYSA-N 0 0 448.409 1.879 50 0 IDAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000008942737 569488673 /nfs/dbraw/zinc/48/86/73/569488673.db2.gz ITPKRXOIVWMUSC-GOSISDBHSA-N 0 0 437.452 1.978 50 0 IDAARN CSc1nc2c(cnn2CCNC(=O)Cc2ccc(F)cc2)c(N2CCOCC2)n1 ZINC000008947426 569489187 /nfs/dbraw/zinc/48/91/87/569489187.db2.gz FSUWWLROZWNLOY-UHFFFAOYSA-N 0 0 430.509 1.883 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000040119096 569489336 /nfs/dbraw/zinc/48/93/36/569489336.db2.gz PUWVFJMGEISUTD-UHFFFAOYSA-N 0 0 433.552 1.366 50 0 IDAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000040119090 569489366 /nfs/dbraw/zinc/48/93/66/569489366.db2.gz ZAZLUWBMUHIDEM-UFYCRDLUSA-N 0 0 426.941 1.728 50 0 IDAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@H](C)O1 ZINC000040120681 569489488 /nfs/dbraw/zinc/48/94/88/569489488.db2.gz GYTFLQLLKCHAPL-GJZGRUSLSA-N 0 0 440.522 1.199 50 0 IDAARN C[C@@H](Sc1nncs1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000040134988 569490642 /nfs/dbraw/zinc/49/06/42/569490642.db2.gz PCEYZPSJMKIWOU-SNVBAGLBSA-N 0 0 434.515 1.830 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2cc(-c3nnco3)ccc2=O)c1 ZINC000040139001 569490735 /nfs/dbraw/zinc/49/07/35/569490735.db2.gz AUVYHAZEIGGFPQ-UHFFFAOYSA-N 0 0 431.474 1.568 50 0 IDAARN CCOC(=O)C1=C(COC(=O)Cc2c(C)n[nH]c2C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000008966136 569491659 /nfs/dbraw/zinc/49/16/59/569491659.db2.gz LJHKJQBXPIEKOI-FQEVSTJZSA-N 0 0 442.472 1.992 50 0 IDAARN O=C(NCCNS(=O)(=O)Cc1ccccc1)c1nc(N2CCCCC2)ncc1Cl ZINC000040142104 569491827 /nfs/dbraw/zinc/49/18/27/569491827.db2.gz KIHXFBGYZNNGEZ-UHFFFAOYSA-N 0 0 437.953 1.970 50 0 IDAARN O=C(CCCn1cncn1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000040142993 569491899 /nfs/dbraw/zinc/49/18/99/569491899.db2.gz FDCXSKVKENGYBG-UHFFFAOYSA-N 0 0 447.439 1.490 50 0 IDAARN Cc1ccc(NC(=O)CCN2CCCS2(=O)=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000040146505 569492283 /nfs/dbraw/zinc/49/22/83/569492283.db2.gz IXRRXHKMPHOAIO-UHFFFAOYSA-N 0 0 443.591 1.924 50 0 IDAARN CCNC(=O)CN(C)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000040148971 569492430 /nfs/dbraw/zinc/49/24/30/569492430.db2.gz YPUMPMRSRKHNHZ-UHFFFAOYSA-N 0 0 425.532 1.547 50 0 IDAARN C[C@@H](Sc1nc[nH]n1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000040152767 569493500 /nfs/dbraw/zinc/49/35/00/569493500.db2.gz WGVPPORTVSTFDP-LLVKDONJSA-N 0 0 449.480 1.837 50 0 IDAARN COC(=O)c1cnc(N2CCO[C@H](c3ccccc3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040153535 569493613 /nfs/dbraw/zinc/49/36/13/569493613.db2.gz FVTJLEKSCMRQEU-SFHVURJKSA-N 0 0 447.513 1.467 50 0 IDAARN CCOC(=O)c1nc(CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cs1 ZINC000040153954 569493687 /nfs/dbraw/zinc/49/36/87/569493687.db2.gz TZDYPWCFHAVAKH-UHFFFAOYSA-N 0 0 430.596 1.947 50 0 IDAARN COC(=O)CN(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000040155498 569493966 /nfs/dbraw/zinc/49/39/66/569493966.db2.gz VQSYAHTYPBPNNI-SECBINFHSA-N 0 0 435.285 1.209 50 0 IDAARN O=C(CCNC(=O)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000008983315 569494639 /nfs/dbraw/zinc/49/46/39/569494639.db2.gz HEDJKJUNADMYNT-UHFFFAOYSA-N 0 0 435.933 1.993 50 0 IDAARN CC(C)[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(=O)NC(N)=O ZINC000040159030 569494663 /nfs/dbraw/zinc/49/46/63/569494663.db2.gz FXMJCXSTBQOZIH-CQSZACIVSA-N 0 0 431.898 1.501 50 0 IDAARN C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000008987960 569494887 /nfs/dbraw/zinc/49/48/87/569494887.db2.gz NGVSWCBMSIDOAC-NRFANRHFSA-N 0 0 446.410 1.309 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCNc1ccc(Br)cc1 ZINC000008991263 569495257 /nfs/dbraw/zinc/49/52/57/569495257.db2.gz LWHYDCPDXDCCER-UHFFFAOYSA-N 0 0 431.294 1.869 50 0 IDAARN COc1ccc(C(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1OC ZINC000009001491 569495978 /nfs/dbraw/zinc/49/59/78/569495978.db2.gz UYTBCTAPGXYFHD-UHFFFAOYSA-N 0 0 432.436 1.902 50 0 IDAARN COc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1OC ZINC000009001359 569495993 /nfs/dbraw/zinc/49/59/93/569495993.db2.gz VPHMHSYJCHROIE-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1ccccc1 ZINC000009033801 569497138 /nfs/dbraw/zinc/49/71/38/569497138.db2.gz VADVOLSTRCVERX-WAPOTWQKSA-N 0 0 439.486 1.435 50 0 biogenic IDAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 ZINC000009037349 569497321 /nfs/dbraw/zinc/49/73/21/569497321.db2.gz WUOVTUMGBYFIEP-AWEZNQCLSA-N 0 0 431.470 1.705 50 0 IDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(Cl)c1)C(=O)OC ZINC000040287129 569498209 /nfs/dbraw/zinc/49/82/09/569498209.db2.gz ACGIWFHPSBPDMT-WMLDXEAASA-N 0 0 438.843 1.964 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000009047268 569498472 /nfs/dbraw/zinc/49/84/72/569498472.db2.gz OKQANVRDSRVVJW-HNNXBMFYSA-N 0 0 427.954 1.869 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1 ZINC000009047499 569498479 /nfs/dbraw/zinc/49/84/79/569498479.db2.gz MATTXNMYQRXJLZ-GFCCVEGCSA-N 0 0 426.495 1.438 50 0 IDAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC(N)=O ZINC000009050274 569498629 /nfs/dbraw/zinc/49/86/29/569498629.db2.gz VLPXDDSGAGMREQ-CYBMUJFWSA-N 0 0 431.470 1.174 50 0 IDAARN O=C(N[C@H](CO)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009050988 569498712 /nfs/dbraw/zinc/49/87/12/569498712.db2.gz RMNFUWQGSZPCEF-NVXWUHKLSA-N 0 0 446.554 1.942 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3ccnc3)C2)cc1 ZINC000009059599 569499353 /nfs/dbraw/zinc/49/93/53/569499353.db2.gz SXYVMXLCDAMJIC-KRWDZBQOSA-N 0 0 433.534 1.449 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1cccnc1 ZINC000009061024 569499568 /nfs/dbraw/zinc/49/95/68/569499568.db2.gz CXKBTMMLSWXQSM-QGZVFWFLSA-N 0 0 448.520 1.444 50 0 IDAARN COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009063820 569499609 /nfs/dbraw/zinc/49/96/09/569499609.db2.gz SIDKFYXUJZEBQP-UHFFFAOYSA-N 0 0 434.514 1.697 50 0 IDAARN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000009061280 569499646 /nfs/dbraw/zinc/49/96/46/569499646.db2.gz WJULIDYZFJUBJH-UHFFFAOYSA-N 0 0 442.541 1.926 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000009068012 569500027 /nfs/dbraw/zinc/50/00/27/569500027.db2.gz ZMZTUOXPFGWLPV-SFHVURJKSA-N 0 0 443.481 1.713 50 0 IDAARN C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000245237710 569500462 /nfs/dbraw/zinc/50/04/62/569500462.db2.gz SBMXHJUKBKKZGJ-SLEUVZQESA-N 0 0 438.531 1.112 50 0 IDAARN CNC(=O)COc1cccc(CNC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000069350680 569501719 /nfs/dbraw/zinc/50/17/19/569501719.db2.gz LTMCJMCALRJSTD-UHFFFAOYSA-N 0 0 439.921 1.738 50 0 IDAARN COc1ccc([C@H](CNC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)N2CCOCC2)cc1 ZINC000245263928 569501745 /nfs/dbraw/zinc/50/17/45/569501745.db2.gz BOTCZPUZHUIGLK-NJYVYQBISA-N 0 0 441.528 1.526 50 0 IDAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000009111974 569502405 /nfs/dbraw/zinc/50/24/05/569502405.db2.gz YXKDMTVGNAXVIP-OXQOHEQNSA-N 0 0 437.493 1.161 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCSc1ncnc3c1cnn3-c1ccccc1)c(=O)n2C ZINC000009115801 569502863 /nfs/dbraw/zinc/50/28/63/569502863.db2.gz HYDLPBKKCABCQQ-UHFFFAOYSA-N 0 0 448.512 1.745 50 0 IDAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccsc3)NC(=O)N2C)C[C@H]1C ZINC000245328001 569503854 /nfs/dbraw/zinc/50/38/54/569503854.db2.gz MKEQGUJZVXOLEV-RDTXWAMCSA-N 0 0 449.577 1.997 50 0 IDAARN Cc1ccc(-c2cn3c4c(nc3n2[C@@H]2CCS(=O)(=O)C2)n(C)c(=O)n(C)c4=O)cc1 ZINC000009126725 569504998 /nfs/dbraw/zinc/50/49/98/569504998.db2.gz PBVUHZOYYQTYQH-CQSZACIVSA-N 0 0 427.486 1.021 50 0 IDAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)NC(=O)NCc1ccco1 ZINC000009126835 569505045 /nfs/dbraw/zinc/50/50/45/569505045.db2.gz RNYVQLSBRBQDMX-UHFFFAOYSA-N 0 0 437.503 1.415 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)Nc1nc3ccccc3[nH]1)c(=O)n2Cc1ccccc1 ZINC000009127599 569505226 /nfs/dbraw/zinc/50/52/26/569505226.db2.gz MLBCUNZAJLUBDZ-UHFFFAOYSA-N 0 0 443.467 1.943 50 0 IDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1CCCCC1 ZINC000009128383 569505396 /nfs/dbraw/zinc/50/53/96/569505396.db2.gz KCADHEAMFYPTPG-INIZCTEOSA-N 0 0 438.546 1.949 50 0 IDAARN CCc1ccccc1NC(=O)CNC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000009156472 569508350 /nfs/dbraw/zinc/50/83/50/569508350.db2.gz MUNKMBDQWAUAKE-GOSISDBHSA-N 0 0 440.525 1.917 50 0 IDAARN CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)NC(=O)NC ZINC000009157242 569508439 /nfs/dbraw/zinc/50/84/39/569508439.db2.gz QAQJLXCCWWFVPR-UHFFFAOYSA-N 0 0 425.555 1.575 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)NC2CCCCC2)cc1 ZINC000040556217 569508635 /nfs/dbraw/zinc/50/86/35/569508635.db2.gz JGVMRSRCHPHZAJ-KRWDZBQOSA-N 0 0 440.591 1.410 50 0 IDAARN O=C(NCc1ccc(F)cc1)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000040556274 569508661 /nfs/dbraw/zinc/50/86/61/569508661.db2.gz BKAQJBUTGDFZRZ-INIZCTEOSA-N 0 0 438.502 1.977 50 0 IDAARN C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000009160573 569508668 /nfs/dbraw/zinc/50/86/68/569508668.db2.gz CPUUMRXJYKHHTG-JTQLQIEISA-N 0 0 426.304 1.972 50 0 IDAARN CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000009172560 569509548 /nfs/dbraw/zinc/50/95/48/569509548.db2.gz CVDGFPUMYBJKOX-UHFFFAOYSA-N 0 0 425.463 1.299 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1ccco1 ZINC000009183718 569509861 /nfs/dbraw/zinc/50/98/61/569509861.db2.gz NODHBNBAEJWKDT-LJQANCHMSA-N 0 0 448.357 1.512 50 0 IDAARN CCN1c2ccccc2[C@]2(C1=O)c1c(cc(C)n(CCOC)c1=O)OC(N)=C2C(=O)OC ZINC000009189911 569510511 /nfs/dbraw/zinc/51/05/11/569510511.db2.gz VXICMKJMELCVAJ-QHCPKHFHSA-N 0 0 439.468 1.191 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N(Cc3ccco3)C(=O)c3ccncc3)cc2n(C)c1=O ZINC000009206686 569511395 /nfs/dbraw/zinc/51/13/95/569511395.db2.gz UQYWZLAOIDONGF-UHFFFAOYSA-N 0 0 426.454 1.896 50 0 IDAARN CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 ZINC000009218364 569512400 /nfs/dbraw/zinc/51/24/00/569512400.db2.gz CDNRNUWIXGRLCB-LJQANCHMSA-N 0 0 427.530 1.494 50 0 IDAARN CCn1c(=O)c(C(=O)CSc2nnc(C)n2C2CC2)c(N)n(Cc2ccccc2)c1=O ZINC000009218221 569512404 /nfs/dbraw/zinc/51/24/04/569512404.db2.gz UZWMYEMNZQXHBV-UHFFFAOYSA-N 0 0 440.529 1.870 50 0 IDAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009222472 569512749 /nfs/dbraw/zinc/51/27/49/569512749.db2.gz ZWKDJNHWZATFHG-UHFFFAOYSA-N 0 0 434.518 1.664 50 0 IDAARN CCCn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)OC1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000009222799 569512816 /nfs/dbraw/zinc/51/28/16/569512816.db2.gz KCQRVXMMORSCHQ-AWEZNQCLSA-N 0 0 429.429 1.341 50 0 IDAARN CN(CCOc1ccc(Cl)cc1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000009223374 569512942 /nfs/dbraw/zinc/51/29/42/569512942.db2.gz VYICEBGFVLLANK-UHFFFAOYSA-N 0 0 433.896 1.405 50 0 IDAARN Cn1c2ncn(CC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)c2c(=O)n(C)c1=O ZINC000009224081 569513107 /nfs/dbraw/zinc/51/31/07/569513107.db2.gz DHDKPWWNUICHPV-CYBMUJFWSA-N 0 0 438.469 1.466 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCSc1nnc(-c3ccc4c(c3)OCO4)o1)c(=O)n2C ZINC000009224099 569513146 /nfs/dbraw/zinc/51/31/46/569513146.db2.gz GXWUFSKYOGGDJS-UHFFFAOYSA-N 0 0 442.457 1.395 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)OCC(=O)Nc2cccnc2Cl)nc1N ZINC000009224230 569513188 /nfs/dbraw/zinc/51/31/88/569513188.db2.gz UCMAERWDQXGLBH-UHFFFAOYSA-N 0 0 425.854 1.558 50 0 IDAARN COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)c1 ZINC000009226857 569513279 /nfs/dbraw/zinc/51/32/79/569513279.db2.gz NEQPVSFHBWYYRG-UHFFFAOYSA-N 0 0 426.433 1.777 50 0 IDAARN CCOC(=O)c1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 ZINC000009243097 569514742 /nfs/dbraw/zinc/51/47/42/569514742.db2.gz MCJNMNODUMKPTD-UHFFFAOYSA-N 0 0 425.445 1.006 50 0 IDAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)c1 ZINC000009244698 569515142 /nfs/dbraw/zinc/51/51/42/569515142.db2.gz IHKFWEHZUQGSEG-UHFFFAOYSA-N 0 0 435.845 1.776 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009245722 569515356 /nfs/dbraw/zinc/51/53/56/569515356.db2.gz LRSLEAGQOVLPTI-HNNXBMFYSA-N 0 0 435.502 1.381 50 0 IDAARN Cn1c2nc(NCc3ccccc3)n(C[C@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000009292930 569520081 /nfs/dbraw/zinc/52/00/81/569520081.db2.gz FFLUCQHJFUWYLV-KRWDZBQOSA-N 0 0 435.484 1.486 50 0 IDAARN CC(C)NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009302859 569520899 /nfs/dbraw/zinc/52/08/99/569520899.db2.gz RNDUPLMKFIQOKU-UHFFFAOYSA-N 0 0 439.563 1.123 50 0 IDAARN CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NCc2c(C)nn(C)c2C)C1=O ZINC000009303378 569521024 /nfs/dbraw/zinc/52/10/24/569521024.db2.gz DNHOANIOHBHLHQ-INIZCTEOSA-N 0 0 448.321 1.640 50 0 IDAARN O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccn1 ZINC000009303647 569521077 /nfs/dbraw/zinc/52/10/77/569521077.db2.gz KYGJJJBPGMFWJI-INIZCTEOSA-N 0 0 448.520 1.444 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O ZINC000009313648 569522001 /nfs/dbraw/zinc/52/20/01/569522001.db2.gz FZALQALWGCRZNC-QFIPXVFZSA-N 0 0 438.440 1.629 50 0 IDAARN [NH3+]CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000009331428 569523018 /nfs/dbraw/zinc/52/30/18/569523018.db2.gz AHNLLIJEOSSECX-OALUTQOASA-N 0 0 438.484 1.584 50 0 biogenic IDAARN O=C(NCc1ccccc1OC(F)(F)F)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000009336818 569523441 /nfs/dbraw/zinc/52/34/41/569523441.db2.gz QYXOGMQLFJDGPF-GFCCVEGCSA-N 0 0 433.408 1.367 50 0 IDAARN O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009340852 569523828 /nfs/dbraw/zinc/52/38/28/569523828.db2.gz UONONOUPAHREQI-QGZVFWFLSA-N 0 0 442.541 1.926 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009340709 569523854 /nfs/dbraw/zinc/52/38/54/569523854.db2.gz TULQCYHCUUMIQZ-INIZCTEOSA-N 0 0 429.926 1.794 50 0 IDAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccncc1 ZINC000009344259 569524013 /nfs/dbraw/zinc/52/40/13/569524013.db2.gz BTIVAAZMWVVSKQ-HNNXBMFYSA-N 0 0 448.520 1.443 50 0 IDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000009350335 569524833 /nfs/dbraw/zinc/52/48/33/569524833.db2.gz QEBNTCRCPAUUMT-GFCCVEGCSA-N 0 0 446.451 1.207 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@@H]1c1nc3ccccc3s1)c(=O)n2C ZINC000009378096 569527558 /nfs/dbraw/zinc/52/75/58/569527558.db2.gz FSIJUMUXAOLPQC-CQSZACIVSA-N 0 0 438.513 1.797 50 0 IDAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009385524 569528386 /nfs/dbraw/zinc/52/83/86/569528386.db2.gz OOXKNPKHGCLIAF-UHFFFAOYSA-N 0 0 425.489 1.748 50 0 IDAARN CCOCCn1c(=O)c2c(nc3n2CCN3c2ccc(Br)cc2)n(C)c1=O ZINC000009406707 569530130 /nfs/dbraw/zinc/53/01/30/569530130.db2.gz NESPJKBOVACKMI-UHFFFAOYSA-N 0 0 434.294 1.847 50 0 IDAARN CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)c1cccc(C)c1 ZINC000009407863 569530351 /nfs/dbraw/zinc/53/03/51/569530351.db2.gz BVWWIGCBKPIYBM-UHFFFAOYSA-N 0 0 443.525 1.763 50 0 IDAARN CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)c1cccs1 ZINC000009407900 569530403 /nfs/dbraw/zinc/53/04/03/569530403.db2.gz MRVRINBKLCKAAJ-CQSZACIVSA-N 0 0 449.554 1.730 50 0 IDAARN O=C(Cn1c(=O)c2sccc2n(CC(=O)N2CCCC2)c1=O)Nc1ccc(F)cc1 ZINC000009409610 569531050 /nfs/dbraw/zinc/53/10/50/569531050.db2.gz SZBIJXNNCONDEZ-UHFFFAOYSA-N 0 0 430.461 1.625 50 0 IDAARN CCOc1ccc(-n2nnc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000009412862 569531674 /nfs/dbraw/zinc/53/16/74/569531674.db2.gz QSSDOIOSNLMVAD-UHFFFAOYSA-N 0 0 448.439 1.421 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1 ZINC000009416472 569532309 /nfs/dbraw/zinc/53/23/09/569532309.db2.gz LRGYEQUHZBZNED-UHFFFAOYSA-N 0 0 428.424 1.022 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009430026 569533846 /nfs/dbraw/zinc/53/38/46/569533846.db2.gz XJDPSTHQIMPKBG-MLJKTZRHSA-N 0 0 426.491 1.898 50 0 IDAARN COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)NCc2ccccc2)c1=O)CCC3 ZINC000009435267 569534805 /nfs/dbraw/zinc/53/48/05/569534805.db2.gz RVTOPTFCDVQZQT-UHFFFAOYSA-N 0 0 427.482 1.203 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)NC)n2C)c1 ZINC000009440202 569535212 /nfs/dbraw/zinc/53/52/12/569535212.db2.gz UBBMAFJPWAEZAM-UHFFFAOYSA-N 0 0 440.551 1.060 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(N)(=O)=O)c2)cc1 ZINC000009441876 569535455 /nfs/dbraw/zinc/53/54/55/569535455.db2.gz MZKMOLNXIPKPDP-UHFFFAOYSA-N 0 0 441.531 1.625 50 0 IDAARN COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)CC1=O ZINC000009442510 569535543 /nfs/dbraw/zinc/53/55/43/569535543.db2.gz CJCMSBZZMWUNIZ-HNNXBMFYSA-N 0 0 426.425 1.636 50 0 IDAARN CCOC(=O)C1CCN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000009442757 569535659 /nfs/dbraw/zinc/53/56/59/569535659.db2.gz VTBRBRQUTZBJIA-UHFFFAOYSA-N 0 0 431.942 1.804 50 0 IDAARN C[C@H]1Oc2ccc(NC(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2NC1=O ZINC000009447131 569536027 /nfs/dbraw/zinc/53/60/27/569536027.db2.gz RWIZKTCELGVBAP-GFCCVEGCSA-N 0 0 447.469 1.484 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)NC(=O)N[C@H]1C ZINC000009462897 569537366 /nfs/dbraw/zinc/53/73/66/569537366.db2.gz ADDBGSIZQUFUTF-HOCLYGCPSA-N 0 0 429.473 1.405 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)OCCCn2c3ccccc3[nH]c2=O)nc1N ZINC000009463275 569537423 /nfs/dbraw/zinc/53/74/23/569537423.db2.gz WOZXBUBZCHKNKK-UHFFFAOYSA-N 0 0 431.474 1.604 50 0 IDAARN CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000009464609 569537706 /nfs/dbraw/zinc/53/77/06/569537706.db2.gz MPTFCRRZNXUKDY-IBGZPJMESA-N 0 0 448.566 1.693 50 0 IDAARN COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1cccc(-n2cnnn2)c1 ZINC000009465307 569537928 /nfs/dbraw/zinc/53/79/28/569537928.db2.gz GRBRMPWJTMWYEQ-UHFFFAOYSA-N 0 0 429.458 1.427 50 0 IDAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009477758 569539241 /nfs/dbraw/zinc/53/92/41/569539241.db2.gz YHHSKENGDSAZDS-QGZVFWFLSA-N 0 0 431.445 1.863 50 0 IDAARN O=C(c1ccc(-n2cnnn2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009481733 569539497 /nfs/dbraw/zinc/53/94/97/569539497.db2.gz GFDYOVINRBJOCZ-UHFFFAOYSA-N 0 0 448.508 1.962 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000009491980 569540436 /nfs/dbraw/zinc/54/04/36/569540436.db2.gz DQCYQWJMEBHOMN-UHFFFAOYSA-N 0 0 430.490 1.546 50 0 IDAARN Cc1cccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 ZINC000009492238 569540510 /nfs/dbraw/zinc/54/05/10/569540510.db2.gz TWBUTBDFMKZHCZ-HXUWFJFHSA-N 0 0 437.485 1.561 50 0 IDAARN COCCCNC(=O)c1cnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1O ZINC000009495448 569541086 /nfs/dbraw/zinc/54/10/86/569541086.db2.gz SLEKRNPRZNRSQL-HUUCEWRRSA-N 0 0 435.546 1.961 50 0 IDAARN C[C@@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(=O)N2CCOCC2)n1-3 ZINC000009498037 569541325 /nfs/dbraw/zinc/54/13/25/569541325.db2.gz QWXKVEAMRWTFAY-LLVKDONJSA-N 0 0 443.558 1.966 50 0 IDAARN C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009509560 569542593 /nfs/dbraw/zinc/54/25/93/569542593.db2.gz ARWIDKASRPDJRF-HNNXBMFYSA-N 0 0 437.543 1.165 50 0 IDAARN C[C@H]1CN(C(=O)Cn2cnc3c(nnn3-c3ccc(Br)cc3)c2=O)C[C@H](C)O1 ZINC000009517787 569543773 /nfs/dbraw/zinc/54/37/73/569543773.db2.gz COPAQZWZXJTCJJ-RYUDHWBXSA-N 0 0 447.293 1.376 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000009538789 569545596 /nfs/dbraw/zinc/54/55/96/569545596.db2.gz CLIXVQPTFFWEIG-UHFFFAOYSA-N 0 0 425.938 1.891 50 0 IDAARN CCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc12 ZINC000009519906 569544364 /nfs/dbraw/zinc/54/43/64/569544364.db2.gz UCZSTRCNVXWRFI-HZPDHXFCSA-N 0 0 435.546 1.577 50 0 IDAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)N1CCSCC1 ZINC000009531014 569545102 /nfs/dbraw/zinc/54/51/02/569545102.db2.gz SDFPYELFZCHCIW-MRXNPFEDSA-N 0 0 437.587 1.790 50 0 IDAARN NC(=O)C1CCN(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000009535785 569545528 /nfs/dbraw/zinc/54/55/28/569545528.db2.gz XBTHNYCJLUVAES-XMMPIXPASA-N 0 0 434.496 1.400 50 0 IDAARN C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccccc1 ZINC000009551295 569546703 /nfs/dbraw/zinc/54/67/03/569546703.db2.gz CUKYMPZPOHFUPF-GJZGRUSLSA-N 0 0 429.498 1.924 50 0 IDAARN CC(=O)N1CCN(C(=O)C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)CC1 ZINC000009569096 569547552 /nfs/dbraw/zinc/54/75/52/569547552.db2.gz MANHCUTXIFHULN-UHFFFAOYSA-N 0 0 440.529 1.116 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCCCC2)cc1 ZINC000009576391 569548036 /nfs/dbraw/zinc/54/80/36/569548036.db2.gz LDHNECROQLGRHX-IBGZPJMESA-N 0 0 437.562 1.687 50 0 IDAARN O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 ZINC000009576800 569548129 /nfs/dbraw/zinc/54/81/29/569548129.db2.gz OTPFKSYAOBMOQA-IBGZPJMESA-N 0 0 449.504 1.038 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)ccc1F ZINC000009577821 569548234 /nfs/dbraw/zinc/54/82/34/569548234.db2.gz QQXANSBPTFGHPR-IBGZPJMESA-N 0 0 449.504 1.304 50 0 IDAARN Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000009579215 569548423 /nfs/dbraw/zinc/54/84/23/569548423.db2.gz JZHPEBIYKRFBSI-UHFFFAOYSA-N 0 0 449.842 1.878 50 0 IDAARN CCCn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(=O)n(C)c1=O ZINC000009579245 569548471 /nfs/dbraw/zinc/54/84/71/569548471.db2.gz TUSXYNHSTHHDOU-MRXNPFEDSA-N 0 0 442.516 1.720 50 0 IDAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4)nn3)CC2)cc1 ZINC000070641131 569549081 /nfs/dbraw/zinc/54/90/81/569549081.db2.gz ROSWEQXCQWAKKO-UHFFFAOYSA-N 0 0 441.517 1.522 50 0 IDAARN NC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2 ZINC000009584540 569549384 /nfs/dbraw/zinc/54/93/84/569549384.db2.gz WTRZCXOWLOVSEC-LLVKDONJSA-N 0 0 431.470 1.459 50 0 IDAARN CCOc1ccccc1-n1nnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009586485 569549677 /nfs/dbraw/zinc/54/96/77/569549677.db2.gz SNZHBEYXBXGOGM-UHFFFAOYSA-N 0 0 442.501 1.731 50 0 IDAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NCCN1C(=O)CSC1=O ZINC000009588430 569549920 /nfs/dbraw/zinc/54/99/20/569549920.db2.gz JVLYWGNYEKLQFI-UHFFFAOYSA-N 0 0 444.498 1.013 50 0 IDAARN O=C(c1ccccc1-n1cnnn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009592877 569550338 /nfs/dbraw/zinc/55/03/38/569550338.db2.gz RRSKXEYYKIKFLH-UHFFFAOYSA-N 0 0 438.513 1.298 50 0 IDAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc(CC(=O)N3CCOCC3)s2)C1=O ZINC000009595542 569550772 /nfs/dbraw/zinc/55/07/72/569550772.db2.gz ODODHOIFRLRWQN-FQEVSTJZSA-N 0 0 431.470 1.392 50 0 IDAARN Cc1nc(Cc2nnc(SCc3nc4ccccc4c(=O)n3CC(N)=O)o2)cs1 ZINC000009604010 569551826 /nfs/dbraw/zinc/55/18/26/569551826.db2.gz DKPBRTAVWWYLFQ-UHFFFAOYSA-N 0 0 428.499 1.913 50 0 IDAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000009609427 569552326 /nfs/dbraw/zinc/55/23/26/569552326.db2.gz PGFDRTVEISPCCL-HUTHGQBESA-N 0 0 428.488 1.401 50 0 IDAARN CCn1c(=O)c(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(N)n(Cc2ccccc2)c1=O ZINC000009610168 569552456 /nfs/dbraw/zinc/55/24/56/569552456.db2.gz VAWSPAZHPGVDPH-UHFFFAOYSA-N 0 0 449.446 1.336 50 0 IDAARN CNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC)ccc2Br)cc1 ZINC000009631686 569553829 /nfs/dbraw/zinc/55/38/29/569553829.db2.gz MYYUWDOMXWFUFC-UHFFFAOYSA-N 0 0 426.292 1.969 50 0 IDAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000009632369 569553980 /nfs/dbraw/zinc/55/39/80/569553980.db2.gz FHDWTDVYHLZTFR-INIZCTEOSA-N 0 0 443.550 1.840 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000009632615 569554031 /nfs/dbraw/zinc/55/40/31/569554031.db2.gz ALYOKPHWKCUILY-MRXNPFEDSA-N 0 0 432.498 1.586 50 0 IDAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000009636512 569554748 /nfs/dbraw/zinc/55/47/48/569554748.db2.gz NAKNDZYSCXHTDM-UHFFFAOYSA-N 0 0 444.513 1.059 50 0 IDAARN COc1ccc(OC)c(NC(=O)CSc2nnc3n2nc(C(C)(C)C)c(=O)n3N)c1 ZINC000009637379 569554816 /nfs/dbraw/zinc/55/48/16/569554816.db2.gz XCCFQMBQPRINHC-UHFFFAOYSA-N 0 0 433.494 1.045 50 0 IDAARN COc1cn(-c2ccccc2)nc1C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000009640303 569555430 /nfs/dbraw/zinc/55/54/30/569555430.db2.gz XWEBQHQAJWHPRU-UHFFFAOYSA-N 0 0 427.438 1.882 50 0 IDAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)N1C1CC1 ZINC000009646213 569556256 /nfs/dbraw/zinc/55/62/56/569556256.db2.gz ZVKWKXZRJWMSOR-HNNXBMFYSA-N 0 0 431.436 1.302 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)CC1 ZINC000009659249 569556613 /nfs/dbraw/zinc/55/66/13/569556613.db2.gz OPOKFAKILKGJBQ-UHFFFAOYSA-N 0 0 446.485 1.967 50 0 IDAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)cc3OC)n2)cc1 ZINC000009661028 569556966 /nfs/dbraw/zinc/55/69/66/569556966.db2.gz YPFPLGSHCQNERO-UHFFFAOYSA-N 0 0 445.497 1.915 50 0 IDAARN C[C@@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009661906 569557082 /nfs/dbraw/zinc/55/70/82/569557082.db2.gz GZPFXPLEYUWGAP-CYBMUJFWSA-N 0 0 444.469 1.387 50 0 IDAARN COCCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000009663173 569557222 /nfs/dbraw/zinc/55/72/22/569557222.db2.gz JQPJUSOUYZJGDY-UHFFFAOYSA-N 0 0 437.500 1.480 50 0 IDAARN COc1ccc(CNC(=O)[C@H](C)N2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009683094 569560275 /nfs/dbraw/zinc/56/02/75/569560275.db2.gz ISYCDTVQVSFOSE-XMHCIUCPSA-N 0 0 425.441 1.896 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)NC(=O)N[C@H]1C ZINC000009683196 569560395 /nfs/dbraw/zinc/56/03/95/569560395.db2.gz PNMPKEIKCLHJNG-YBTHPKLGSA-N 0 0 431.470 1.677 50 0 IDAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683887 569560403 /nfs/dbraw/zinc/56/04/03/569560403.db2.gz SNVXWUCGBYBZJG-FQEVSTJZSA-N 0 0 446.481 1.689 50 0 IDAARN O=C([C@H]1COc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2O1)N1CCOCC1 ZINC000009683744 569560406 /nfs/dbraw/zinc/56/04/06/569560406.db2.gz YPSKXSYPOSSVAV-HXUWFJFHSA-N 0 0 436.530 1.854 50 0 IDAARN O=C([C@H]1COc2cc(S(=O)(=O)NCCCc3ccccc3)ccc2O1)N1CCOCC1 ZINC000009683840 569560464 /nfs/dbraw/zinc/56/04/64/569560464.db2.gz AXCMMTXPYFFAJT-OAQYLSRUSA-N 0 0 446.525 1.596 50 0 IDAARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683751 569560475 /nfs/dbraw/zinc/56/04/75/569560475.db2.gz QUMVKDWOKURXBO-LJQANCHMSA-N 0 0 434.470 1.495 50 0 IDAARN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c(C)n1C ZINC000009685095 569560643 /nfs/dbraw/zinc/56/06/43/569560643.db2.gz HDMILABNXJTNHW-UHFFFAOYSA-N 0 0 425.551 1.796 50 0 IDAARN CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)o1 ZINC000009707619 569561609 /nfs/dbraw/zinc/56/16/09/569561609.db2.gz RPYQJITVBOKNBP-UHFFFAOYSA-N 0 0 435.483 1.943 50 0 IDAARN COC(=O)[C@H](C)n1c(=O)c2c(nc3n2cc(C)n3-c2cc(OC)ccc2OC)n(C)c1=O ZINC000009713107 569562523 /nfs/dbraw/zinc/56/25/23/569562523.db2.gz BPQPMBKSEYXNHN-LBPRGKRZSA-N 0 0 441.444 1.198 50 0 IDAARN CCOCCn1c(N2CCN(C/C=C\c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714578 569562836 /nfs/dbraw/zinc/56/28/36/569562836.db2.gz DGKNTBCAQQCWNA-YFHOEESVSA-N 0 0 438.532 1.295 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2cccnc2)c1 ZINC000009715710 569563091 /nfs/dbraw/zinc/56/30/91/569563091.db2.gz BMOLSMCEKLUYCC-SFHVURJKSA-N 0 0 430.530 1.284 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccccn1 ZINC000009715288 569563090 /nfs/dbraw/zinc/56/30/90/569563090.db2.gz OBIPMACZSDBOCJ-INIZCTEOSA-N 0 0 436.559 1.509 50 0 IDAARN Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1F ZINC000070924433 569563517 /nfs/dbraw/zinc/56/35/17/569563517.db2.gz PDRGHVNILBPETF-UHFFFAOYSA-N 0 0 427.523 1.908 50 0 IDAARN Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)s1 ZINC000009729311 569564200 /nfs/dbraw/zinc/56/42/00/569564200.db2.gz IEWDHBHFEJPURC-UHFFFAOYSA-N 0 0 437.547 1.720 50 0 IDAARN CCn1cc(C(=O)NCCOC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000009730901 569564534 /nfs/dbraw/zinc/56/45/34/569564534.db2.gz QKTGCPFOHOVXIX-UHFFFAOYSA-N 0 0 435.546 1.818 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C3CC3)CC2)c(C)c1 ZINC000009741145 569565176 /nfs/dbraw/zinc/56/51/76/569565176.db2.gz VAGPNUQMLJXCBF-UHFFFAOYSA-N 0 0 436.563 1.250 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCc1cccnc1 ZINC000009741829 569565290 /nfs/dbraw/zinc/56/52/90/569565290.db2.gz NVDRHMNYKLIYML-NRFANRHFSA-N 0 0 442.541 1.850 50 0 IDAARN CCOCCCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(C)=O ZINC000009741973 569565329 /nfs/dbraw/zinc/56/53/29/569565329.db2.gz YWLFEOIGOWVXRI-FQEVSTJZSA-N 0 0 437.562 1.682 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 ZINC000009744361 569565582 /nfs/dbraw/zinc/56/55/82/569565582.db2.gz ZOXDLMOCRSLDDO-MRXNPFEDSA-N 0 0 437.493 1.785 50 0 IDAARN COc1cccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1 ZINC000009806066 569568807 /nfs/dbraw/zinc/56/88/07/569568807.db2.gz RKGPNBISKNJHRG-QGZVFWFLSA-N 0 0 431.514 1.281 50 0 IDAARN COc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000009807014 569568949 /nfs/dbraw/zinc/56/89/49/569568949.db2.gz FLCNBPCFSKTYSK-HNNXBMFYSA-N 0 0 437.543 1.342 50 0 IDAARN COc1cc(NC(=O)Cn2ccn(-c3ccc(OC)c(OC)c3)c(=O)c2=O)cc(OC)c1 ZINC000009808701 569569048 /nfs/dbraw/zinc/56/90/48/569569048.db2.gz LBCKJWKYDSFTGO-UHFFFAOYSA-N 0 0 441.440 1.672 50 0 IDAARN CC1(C)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000009816669 569569293 /nfs/dbraw/zinc/56/92/93/569569293.db2.gz QKKZFKBZRGOCMB-UHFFFAOYSA-N 0 0 438.440 1.614 50 0 IDAARN COC(=O)C1CCN(C(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(F)cc2)c3=O)CC1 ZINC000009820513 569569393 /nfs/dbraw/zinc/56/93/93/569569393.db2.gz VVAFRUUZJFZVAS-UHFFFAOYSA-N 0 0 428.420 1.182 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)CC1 ZINC000009829345 569570040 /nfs/dbraw/zinc/57/00/40/569570040.db2.gz BRYXSNKMBRTHGY-UHFFFAOYSA-N 0 0 442.501 1.477 50 0 IDAARN COC(=O)[C@H](C)n1c(=O)c2c(nc3n2c(C)c(C)n3-c2cccc(OC)c2)n(C)c1=O ZINC000009829477 569570117 /nfs/dbraw/zinc/57/01/17/569570117.db2.gz JBRFTNVHVHKQNW-ZDUSSCGKSA-N 0 0 425.445 1.498 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cc(Cl)ccc2C)n(C)c1=O ZINC000009829508 569570136 /nfs/dbraw/zinc/57/01/36/569570136.db2.gz FVCSIDLKIVCGDL-UHFFFAOYSA-N 0 0 429.864 1.890 50 0 IDAARN CS(=O)(=O)NC1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000009853407 569571471 /nfs/dbraw/zinc/57/14/71/569571471.db2.gz HBSYZUPAKLHGMV-UHFFFAOYSA-N 0 0 432.340 1.109 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCO3)CC2)ccc1Br ZINC000009867010 569572221 /nfs/dbraw/zinc/57/22/21/569572221.db2.gz BPCCSXOGDQXMKJ-CQSZACIVSA-N 0 0 446.367 1.952 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@@H]1C[C@@H](C)OC1=O ZINC000009871092 569572360 /nfs/dbraw/zinc/57/23/60/569572360.db2.gz PSNHWDGNPIRIHB-MLGOLLRUSA-N 0 0 425.532 1.873 50 0 IDAARN C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009871269 569572384 /nfs/dbraw/zinc/57/23/84/569572384.db2.gz ZCMOBKKHIXZBRF-VHSXEESVSA-N 0 0 437.503 1.336 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000009913054 569573272 /nfs/dbraw/zinc/57/32/72/569573272.db2.gz ONNOAYULDAGBGM-HXUWFJFHSA-N 0 0 444.469 1.414 50 0 IDAARN O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000071279130 569573479 /nfs/dbraw/zinc/57/34/79/569573479.db2.gz HRJHNYDJXNOCMF-MRXNPFEDSA-N 0 0 436.940 1.609 50 0 IDAARN O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000071279129 569573481 /nfs/dbraw/zinc/57/34/81/569573481.db2.gz HRJHNYDJXNOCMF-INIZCTEOSA-N 0 0 436.940 1.609 50 0 IDAARN Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009952424 569574555 /nfs/dbraw/zinc/57/45/55/569574555.db2.gz NAPBNODFUIMMLA-HUUCEWRRSA-N 0 0 439.563 1.605 50 0 IDAARN C[C@@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccccc21 ZINC000009961167 569575557 /nfs/dbraw/zinc/57/55/57/569575557.db2.gz MHLQABMGNQDORQ-CQSZACIVSA-N 0 0 427.482 1.636 50 0 IDAARN CCOC(=O)c1sc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c(C(=O)OCC)c1C ZINC000009962762 569575685 /nfs/dbraw/zinc/57/56/85/569575685.db2.gz 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O=S(=O)(c1ccc(Br)s1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000010213763 569579094 /nfs/dbraw/zinc/57/90/94/569579094.db2.gz DPHKWWOJLQPHRO-GHMZBOCLSA-N 0 0 444.394 1.867 50 0 IDAARN Cc1cn2c3c(nc2n1CCCn1ccnc1)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000010233359 569579546 /nfs/dbraw/zinc/57/95/46/569579546.db2.gz GWKPEXPBDHSARX-UHFFFAOYSA-N 0 0 435.463 1.932 50 0 IDAARN Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCCCOC(C)C)CS(=O)(=O)C3)c1 ZINC000010250528 569579806 /nfs/dbraw/zinc/57/98/06/569579806.db2.gz NWGUWDHUQOZXQB-UHFFFAOYSA-N 0 0 434.518 1.479 50 0 IDAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccnc2)CS(=O)(=O)C3)cc1 ZINC000010250504 569579815 /nfs/dbraw/zinc/57/98/15/569579815.db2.gz GHRDREGIMLFQOE-UHFFFAOYSA-N 0 0 425.470 1.259 50 0 IDAARN CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000010256104 569579972 /nfs/dbraw/zinc/57/99/72/569579972.db2.gz JONYYDDOOIHWBN-FQEVSTJZSA-N 0 0 443.525 1.415 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)c(Cl)c2)n(C)c1=O ZINC000010271895 569580061 /nfs/dbraw/zinc/58/00/61/569580061.db2.gz UMWVIDGTEZJUPS-UHFFFAOYSA-N 0 0 429.864 1.890 50 0 IDAARN COC(=O)C1=C(CS(=O)(=O)c2cc(OC)ccc2OC)NC(=O)N[C@@H]1c1ccccc1 ZINC000010273338 569580246 /nfs/dbraw/zinc/58/02/46/569580246.db2.gz DKCOVNXAAAHUNP-LJQANCHMSA-N 0 0 446.481 1.959 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)cc1C ZINC000010274155 569580362 /nfs/dbraw/zinc/58/03/62/569580362.db2.gz ZSUJDYRHKBJHPF-KRWDZBQOSA-N 0 0 441.532 1.481 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2cn(-c3cc(-c4nc(C)no4)ccn3)cn2)CC1 ZINC000071768381 569580694 /nfs/dbraw/zinc/58/06/94/569580694.db2.gz XNHXHDBWERXOMH-UHFFFAOYSA-N 0 0 425.449 1.976 50 0 IDAARN COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCC(C(N)=O)CC2)nc1N ZINC000071771945 569580837 /nfs/dbraw/zinc/58/08/37/569580837.db2.gz DTDQUXRJHASRMJ-UHFFFAOYSA-N 0 0 425.898 1.255 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1 ZINC000071772356 569580963 /nfs/dbraw/zinc/58/09/63/569580963.db2.gz CLMPRMWCWNMXQP-UHFFFAOYSA-N 0 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CCOC(=O)c1sc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)nc1C ZINC000097531496 569584346 /nfs/dbraw/zinc/58/43/46/569584346.db2.gz OZZRMCNEIYOHLR-OAHLLOKOSA-N 0 0 442.497 2.218 50 0 IDAARN CCOC(=O)c1csc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)n1 ZINC000095476032 569584364 /nfs/dbraw/zinc/58/43/64/569584364.db2.gz DASBCEQLWSZUHD-UHFFFAOYSA-N 0 0 431.470 2.331 50 0 IDAARN CNC(=O)Cn1nnn(-c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)c1=O ZINC000077100207 569585337 /nfs/dbraw/zinc/58/53/37/569585337.db2.gz AQBOHTNMWULHCP-UHFFFAOYSA-N 0 0 444.879 1.625 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NC(=O)c3c[nH]c4ccccc34)cc2)c1=O)N1CCOCC1 ZINC000077100258 569585376 /nfs/dbraw/zinc/58/53/76/569585376.db2.gz ZFYUNXQVVOAKPT-UHFFFAOYSA-N 0 0 447.455 1.021 50 0 IDAARN COCCn1nnn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)c1=O ZINC000077100160 569585386 /nfs/dbraw/zinc/58/53/86/569585386.db2.gz XURCCSQZYUJQGN-UHFFFAOYSA-N 0 0 429.502 1.755 50 0 IDAARN Cn1nc(N2CCC[C@H](C(=O)NCCn3nc(-c4cccs4)ccc3=O)C2)ccc1=O ZINC000077100965 569585476 /nfs/dbraw/zinc/58/54/76/569585476.db2.gz OVEWIFKIOUUYIY-HNNXBMFYSA-N 0 0 440.529 1.098 50 0 IDAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177437 569585831 /nfs/dbraw/zinc/58/58/31/569585831.db2.gz MDVWKVBVAIPMJA-ZDUSSCGKSA-N 0 0 429.477 1.991 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCc2nc(NC(=O)c3cnccn3)sc2C1 ZINC000077196259 569586013 /nfs/dbraw/zinc/58/60/13/569586013.db2.gz KOCDMBKRIMIMMT-UHFFFAOYSA-N 0 0 436.453 1.678 50 0 IDAARN Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)n1 ZINC000077196915 569586138 /nfs/dbraw/zinc/58/61/38/569586138.db2.gz GLTGIMAHRABJEN-LJQANCHMSA-N 0 0 448.527 1.832 50 0 IDAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-n3ccnc3C)nn2)CC1 ZINC000077197074 569586164 /nfs/dbraw/zinc/58/61/64/569586164.db2.gz DVFRNKLVCASZIP-UHFFFAOYSA-N 0 0 432.481 1.629 50 0 IDAARN CCn1cc(C(=O)NCCn2nc(-n3nc(C)cc3C)ccc2=O)c(=O)c2ccc(C)nc21 ZINC000077196961 569586181 /nfs/dbraw/zinc/58/61/81/569586181.db2.gz VNLZDENWVRPVKA-UHFFFAOYSA-N 0 0 447.499 1.514 50 0 IDAARN CN1CCN(c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ncn2)CC1 ZINC000077200508 569586450 /nfs/dbraw/zinc/58/64/50/569586450.db2.gz ALFGYQBKOADCCY-UHFFFAOYSA-N 0 0 444.561 1.655 50 0 IDAARN O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200875 569586574 /nfs/dbraw/zinc/58/65/74/569586574.db2.gz SJGKPQGRXXCKDP-HXUWFJFHSA-N 0 0 436.555 1.729 50 0 IDAARN COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N2CCC(C)CC2)C3)c1OC ZINC000034792727 569587646 /nfs/dbraw/zinc/58/76/46/569587646.db2.gz NFVIHQICULAHRM-HXUWFJFHSA-N 0 0 442.516 1.755 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCc3ccc(F)cc3)n2)nn(-c2ccccc2)c1=O ZINC000035481677 569587721 /nfs/dbraw/zinc/58/77/21/569587721.db2.gz BGLIOFNDZJSWDY-UHFFFAOYSA-N 0 0 436.403 1.533 50 0 IDAARN COc1ccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000629418 193862834 /nfs/dbraw/zinc/86/28/34/193862834.db2.gz BNRHZAXVXKOASA-CYBMUJFWSA-N 0 0 441.444 1.077 50 0 IDAARN CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000000641990 193867867 /nfs/dbraw/zinc/86/78/67/193867867.db2.gz JCKOUAWEMPKIAT-SLHNCBLASA-N 0 0 440.470 1.862 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2N2CCOCC2)c1 ZINC000009209246 132227642 /nfs/dbraw/zinc/22/76/42/132227642.db2.gz BIJQQXCCUVBRAU-UHFFFAOYSA-N 0 0 448.545 1.354 50 0 IDAARN COc1ccccc1N1CCN(C(=O)c2c(I)cnn2C)CC1 ZINC000000688918 132229440 /nfs/dbraw/zinc/22/94/40/132229440.db2.gz YWAREAGRIDNXDA-UHFFFAOYSA-N 0 0 426.258 1.996 50 0 IDAARN COc1ccc(OC)c(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000000879870 132232379 /nfs/dbraw/zinc/23/23/79/132232379.db2.gz HLCPWWAWWFBGIJ-UHFFFAOYSA-N 0 0 433.530 1.819 50 0 IDAARN Cc1cccc(-n2nnc3c2ncn(CC(=O)N2CCN(c4ccccc4)CC2)c3=O)c1 ZINC000009517814 132232577 /nfs/dbraw/zinc/23/25/77/132232577.db2.gz PFOVDWDYVUNTNI-UHFFFAOYSA-N 0 0 429.484 1.634 50 0 IDAARN C[C@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000009569894 132235061 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Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n2ncnc2n1 ZINC000009821664 132244237 /nfs/dbraw/zinc/24/42/37/132244237.db2.gz GOSCYWPGKNLCDW-UHFFFAOYSA-N 0 0 430.490 1.105 50 0 IDAARN Cc1cccc(N2CCN(C(=O)COC(=O)c3sccc3S(N)(=O)=O)CC2)c1C ZINC000010489213 132246648 /nfs/dbraw/zinc/24/66/48/132246648.db2.gz NJVFEDIVNGEALZ-UHFFFAOYSA-N 0 0 437.543 1.518 50 0 IDAARN Cn1c2nc3n(c2c(=O)n(CC(N)=O)c1=O)CCCN3c1ccc(Oc2ccccc2)cc1 ZINC000002216937 132249043 /nfs/dbraw/zinc/24/90/43/132249043.db2.gz BNKILEJEZKRACA-UHFFFAOYSA-N 0 0 446.467 1.716 50 0 IDAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003216147 132262247 /nfs/dbraw/zinc/26/22/47/132262247.db2.gz APMNPWBFFCAJBC-UHFFFAOYSA-N 0 0 449.504 1.936 50 0 IDAARN O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000003298100 132263589 /nfs/dbraw/zinc/26/35/89/132263589.db2.gz QNEVHXPMEKURIM-UHFFFAOYSA-N 0 0 436.218 1.300 50 0 IDAARN Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O ZINC000003452509 132265795 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IDAARN CCOC(=O)c1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 ZINC000008724518 132291971 /nfs/dbraw/zinc/29/19/71/132291971.db2.gz QMHZQRLPVCIKGT-CQSZACIVSA-N 0 0 441.488 1.508 50 0 IDAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CC(=O)Nc2ccccc21 ZINC000008725824 132292312 /nfs/dbraw/zinc/29/23/12/132292312.db2.gz KFRFBCHBTHVHNR-FQEVSTJZSA-N 0 0 436.468 1.098 50 0 IDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)N1CCOCC1 ZINC000008812560 132294607 /nfs/dbraw/zinc/29/46/07/132294607.db2.gz IJGKSWPHOYLTLG-UHFFFAOYSA-N 0 0 439.559 1.159 50 0 IDAARN Cn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c2ccccc2c1=O ZINC000008966239 132298915 /nfs/dbraw/zinc/29/89/15/132298915.db2.gz AUASTCFMKUQDKV-UHFFFAOYSA-N 0 0 449.511 1.859 50 0 IDAARN CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(C3CCCCC3)C2=O)[C@@H]1C ZINC000009109521 132302967 /nfs/dbraw/zinc/30/29/67/132302967.db2.gz TWTCQJURLIHJPQ-LFVRLGFBSA-N 0 0 437.500 1.863 50 0 IDAARN CCCN1C(=O)NC(=O)[C@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCCCC[C@@H]32)C1=O ZINC000009129549 132305711 /nfs/dbraw/zinc/30/57/11/132305711.db2.gz XMLATFSWMODIJN-WAIKUNEKSA-N 0 0 437.500 1.783 50 0 IDAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000009220700 132309457 /nfs/dbraw/zinc/30/94/57/132309457.db2.gz YYPBSHLJQROJFG-FQEVSTJZSA-N 0 0 442.541 1.804 50 0 IDAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)o3)CC2)cc1 ZINC000009228501 132310047 /nfs/dbraw/zinc/31/00/47/132310047.db2.gz HVGXEALTPPMABH-UHFFFAOYSA-N 0 0 428.470 1.743 50 0 IDAARN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000009261632 132311590 /nfs/dbraw/zinc/31/15/90/132311590.db2.gz OWWNJDODWNVUGV-UHFFFAOYSA-N 0 0 440.529 1.779 50 0 IDAARN C[C@@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C)N1C(=O)c2ccccc2C1=O ZINC000009284593 132312475 /nfs/dbraw/zinc/31/24/75/132312475.db2.gz WDPBXTHMMATINZ-ZDUSSCGKSA-N 0 0 435.436 1.978 50 0 IDAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCO2 ZINC000009287059 132312661 /nfs/dbraw/zinc/31/26/61/132312661.db2.gz 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ZINC000034693561 520919147 /nfs/dbraw/zinc/91/91/47/520919147.db2.gz ACNUEHDTINVYIW-UHFFFAOYSA-N 0 0 434.452 1.969 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(NC(=O)c3cc(C)on3)s2)CC1 ZINC000042379159 520945501 /nfs/dbraw/zinc/94/55/01/520945501.db2.gz YGEJWTGIPSHERY-UHFFFAOYSA-N 0 0 440.507 1.480 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc3c([nH]2)c(OC)ccc3OC)CC1 ZINC000012409227 520948212 /nfs/dbraw/zinc/94/82/12/520948212.db2.gz AAVRXAQNMVGOQU-ZDUSSCGKSA-N 0 0 432.477 1.604 50 0 IDAARN CCOc1ccc(CCNC(=O)C2=C(C)C(=O)OC23CCN(S(C)(=O)=O)CC3)cc1 ZINC000021887606 520948464 /nfs/dbraw/zinc/94/84/64/520948464.db2.gz GDHJBJDHRDIIAJ-UHFFFAOYSA-N 0 0 436.530 1.412 50 0 biogenic IDAARN CCOc1ccc(CCNC(=O)Cn2c3ccccc3n(C)c(=O)c2=O)cc1OCC ZINC000021943725 520951072 /nfs/dbraw/zinc/95/10/72/520951072.db2.gz WWCCUWWANDRITF-UHFFFAOYSA-N 0 0 425.485 1.857 50 0 IDAARN CCOc1ccc(CNS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1 ZINC000021154379 521004205 /nfs/dbraw/zinc/00/42/05/521004205.db2.gz WHJONEDPKKTZLS-UHFFFAOYSA-N 0 0 435.546 1.992 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)NC[C@H]2CCCO2)CC1 ZINC000035560396 521032026 /nfs/dbraw/zinc/03/20/26/521032026.db2.gz KWIFKUKUSSCHSM-GOSISDBHSA-N 0 0 449.573 1.682 50 0 IDAARN CCOc1ccc(NC(=O)Cn2c(=O)c3c(C(=O)OC)cc(C)nc3n(C)c2=O)cc1 ZINC000012411909 521073114 /nfs/dbraw/zinc/07/31/14/521073114.db2.gz KRNPOJOPNQKTSX-UHFFFAOYSA-N 0 0 426.429 1.228 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)C1 ZINC000020466347 521106468 /nfs/dbraw/zinc/10/64/68/521106468.db2.gz CWLGWXDCDDUKRA-MRXNPFEDSA-N 0 0 439.472 1.368 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000035580966 521123932 /nfs/dbraw/zinc/12/39/32/521123932.db2.gz UDRIHXBXCAHQGU-HIFRSBDPSA-N 0 0 439.472 1.614 50 0 IDAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3CCOCC3)c2)cc1 ZINC000012557242 521133029 /nfs/dbraw/zinc/13/30/29/521133029.db2.gz TYHHVJYXEIFUKU-UHFFFAOYSA-N 0 0 433.530 1.948 50 0 IDAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCCCOC ZINC000021926117 521166595 /nfs/dbraw/zinc/16/65/95/521166595.db2.gz XZXUIGKOJQIENJ-IBGZPJMESA-N 0 0 437.562 1.682 50 0 IDAARN CCOc1ccc(OCCNC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)cc1 ZINC000022407560 521175768 /nfs/dbraw/zinc/17/57/68/521175768.db2.gz BRXMJUISNWAGCG-UHFFFAOYSA-N 0 0 433.534 1.717 50 0 IDAARN CCOc1ccc(OCCOn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 ZINC000020887707 521176719 /nfs/dbraw/zinc/17/67/19/521176719.db2.gz HMJLRUKZGCAYDA-UHFFFAOYSA-N 0 0 448.501 1.359 50 0 IDAARN CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 ZINC000012302371 521177813 /nfs/dbraw/zinc/17/78/13/521177813.db2.gz OLTILMWYKKTIIR-JIWMQAFSSA-N 0 0 439.512 1.973 50 0 IDAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1 ZINC000012745889 521199774 /nfs/dbraw/zinc/19/97/74/521199774.db2.gz DLUYUOYBBFBDBY-JOCHJYFZSA-N 0 0 447.455 1.661 50 0 IDAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000012766743 521236847 /nfs/dbraw/zinc/23/68/47/521236847.db2.gz VEDNIMKUXHFPET-KRWDZBQOSA-N 0 0 432.546 1.365 50 0 IDAARN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1c2ccccc2nc1-c1nonc1N ZINC000012412337 521256521 /nfs/dbraw/zinc/25/65/21/521256521.db2.gz BNIRIRYPMKEQII-INIZCTEOSA-N 0 0 434.456 1.959 50 0 IDAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCc3cc(OC)ccc3OC)sc2n1 ZINC000020866071 521346629 /nfs/dbraw/zinc/34/66/29/521346629.db2.gz AKHKBVUVTGHJCV-UHFFFAOYSA-N 0 0 431.518 1.873 50 0 IDAARN CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])ccc12 ZINC000012660764 521351598 /nfs/dbraw/zinc/35/15/98/521351598.db2.gz MAQWCHLPIMCYTG-LRDDRELGSA-N 0 0 432.477 1.345 50 0 biogenic IDAARN CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c(=O)[nH]c1=O ZINC000014655963 521363411 /nfs/dbraw/zinc/36/34/11/521363411.db2.gz YWHXLFTWDUGWID-CQSZACIVSA-N 0 0 443.504 1.252 50 0 IDAARN CCCCn1c(N)c(N(CC(C)C)C(=O)Cn2c3ccccc3ncc2=O)c(=O)[nH]c1=O ZINC000012905137 521366734 /nfs/dbraw/zinc/36/67/34/521366734.db2.gz WIYTZJNNHLKGCE-UHFFFAOYSA-N 0 0 440.504 1.318 50 0 IDAARN CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCN(C(=O)OCC)CC1)OCO3 ZINC000034847957 521369163 /nfs/dbraw/zinc/36/91/63/521369163.db2.gz XZXUMBXBMDVTQG-UHFFFAOYSA-N 0 0 446.460 1.786 50 0 IDAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(=O)n(CCC)n2)c(=O)[nH]c1=O ZINC000021336357 521371014 /nfs/dbraw/zinc/37/10/14/521371014.db2.gz FDERKTKJTJFUKX-UHFFFAOYSA-N 0 0 442.476 1.326 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)c1C ZINC000035482203 521378118 /nfs/dbraw/zinc/37/81/18/521378118.db2.gz ARYOWEMZUYLPNU-SFHVURJKSA-N 0 0 448.564 1.499 50 0 IDAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(Cc2ccco2)CC1 ZINC000023095787 521390124 /nfs/dbraw/zinc/39/01/24/521390124.db2.gz RSAMZDQZXKRXSS-UHFFFAOYSA-N 0 0 434.518 1.681 50 0 IDAARN CCCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012893764 521438159 /nfs/dbraw/zinc/43/81/59/521438159.db2.gz XDGVZGLPGLIKBG-GOSISDBHSA-N 0 0 448.479 1.692 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cn1C ZINC000021882167 521445883 /nfs/dbraw/zinc/44/58/83/521445883.db2.gz BRCVWSLYWWGFFY-UHFFFAOYSA-N 0 0 437.474 1.232 50 0 IDAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCCOC)N(c1ccc(OC)cc1)C2=O ZINC000021879346 521458001 /nfs/dbraw/zinc/45/80/01/521458001.db2.gz UMEFVGHKDAZGPI-JOCHJYFZSA-N 0 0 444.488 1.640 50 0 IDAARN CCOc1ccccc1CNS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1 ZINC000020989883 521504067 /nfs/dbraw/zinc/50/40/67/521504067.db2.gz XFKPLQAUDOJMKR-UHFFFAOYSA-N 0 0 435.546 1.992 50 0 IDAARN CCCn1c(=O)cc(C(=O)NCc2ccc(F)cc2)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422391 521619398 /nfs/dbraw/zinc/61/93/98/521619398.db2.gz LFQGHQPISGDBBG-UHFFFAOYSA-N 0 0 428.464 1.751 50 0 IDAARN CCCn1c(N)c(N(CCOC)C(=O)COc2cccc(C(C)(C)C)c2)c(=O)[nH]c1=O ZINC000012852909 521632014 /nfs/dbraw/zinc/63/20/14/521632014.db2.gz NUSZJWPWGPZJQW-UHFFFAOYSA-N 0 0 432.521 1.885 50 0 IDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2c(C)cc(C)cc2Cl)c1=O ZINC000012817396 521632058 /nfs/dbraw/zinc/63/20/58/521632058.db2.gz UKEGSVCQEKHLLH-UHFFFAOYSA-N 0 0 449.939 1.748 50 0 IDAARN CCCn1c2nnc(CCCC(=O)N3CCC(C(N)=O)CC3)n2c2ccsc2c1=O ZINC000020530613 521641454 /nfs/dbraw/zinc/64/14/54/521641454.db2.gz OKHCSKDOXZLHCK-UHFFFAOYSA-N 0 0 430.534 1.562 50 0 IDAARN CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000012846882 521662421 /nfs/dbraw/zinc/66/24/21/521662421.db2.gz NWTDDJRWGWVDKF-UHFFFAOYSA-N 0 0 425.370 1.850 50 0 IDAARN CCN1CCN(C(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1 ZINC000021875603 521670129 /nfs/dbraw/zinc/67/01/29/521670129.db2.gz NSIJSMGVPLOGEZ-QHCPKHFHSA-N 0 0 444.580 1.344 50 0 IDAARN CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)o2)cc1 ZINC000035590104 521687629 /nfs/dbraw/zinc/68/76/29/521687629.db2.gz WSNCXOAOPHUECH-ZDUSSCGKSA-N 0 0 442.519 1.140 50 0 IDAARN COC(=O)c1c2c(sc1NC(=O)CN1CCN([C@H](C)C(=O)NC3CC3)CC1)CCC2 ZINC000022194578 521784226 /nfs/dbraw/zinc/78/42/26/521784226.db2.gz GCFGWHDYHVHHOG-CYBMUJFWSA-N 0 0 434.562 1.247 50 0 IDAARN CCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)cn3)C2)s1 ZINC000015777583 521797621 /nfs/dbraw/zinc/79/76/21/521797621.db2.gz RXPFFLOANITVDQ-LLVKDONJSA-N 0 0 430.581 1.906 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccc(OC)cc1)c(=O)n2C ZINC000020428010 521829134 /nfs/dbraw/zinc/82/91/34/521829134.db2.gz RYWVCFBERNLJTK-UHFFFAOYSA-N 0 0 438.440 1.407 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1C)c(=O)n2C ZINC000012445920 521829464 /nfs/dbraw/zinc/82/94/64/521829464.db2.gz GGZZZIAGHOSICJ-UHFFFAOYSA-N 0 0 440.431 1.845 50 0 IDAARN CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000022797810 521869910 /nfs/dbraw/zinc/86/99/10/521869910.db2.gz YKEWTVBIMBWWDI-UHFFFAOYSA-N 0 0 441.532 1.496 50 0 IDAARN COc1cc(-c2nc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(C)o2)cc2c1OCO2 ZINC000022890890 521903927 /nfs/dbraw/zinc/90/39/27/521903927.db2.gz NNPNGLNLOIWWNC-MRXNPFEDSA-N 0 0 449.529 1.692 50 0 IDAARN COC(=O)c1ccc(C(=O)N2CC(=O)N(Cc3ccc(OC)cc3)C[C@@H](OC)C2)cc1 ZINC000014530382 521944983 /nfs/dbraw/zinc/94/49/83/521944983.db2.gz IARAAYGRIBLGDW-HXUWFJFHSA-N 0 0 426.469 1.981 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)s1 ZINC000022875951 521981030 /nfs/dbraw/zinc/98/10/30/521981030.db2.gz LQYRDGVRPRGSCW-CYBMUJFWSA-N 0 0 425.532 1.760 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCc1ccccc1)C(=O)CS2 ZINC000020583650 521991714 /nfs/dbraw/zinc/99/17/14/521991714.db2.gz WZPNLMXQCYYPKB-UHFFFAOYSA-N 0 0 433.555 1.735 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCC3(CC1)OCCO3)CCS2 ZINC000021094142 521991726 /nfs/dbraw/zinc/99/17/26/521991726.db2.gz KYCFEVHZGGDZDM-UHFFFAOYSA-N 0 0 441.575 1.215 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(COC(=O)C2(CC(=O)N3CCOCC3)CCCC2)c1 ZINC000012904938 521996363 /nfs/dbraw/zinc/99/63/63/521996363.db2.gz PRVDXPADPUQGHI-UHFFFAOYSA-N 0 0 438.546 1.789 50 0 IDAARN COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(CCO)CC2)c1=O ZINC000022697650 522064022 /nfs/dbraw/zinc/06/40/22/522064022.db2.gz KSCMAOPJRZPAKD-NRFANRHFSA-N 0 0 435.952 1.861 50 0 IDAARN COCCn1c(CN(C)CCN2CCOCC2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000020599594 522067956 /nfs/dbraw/zinc/06/79/56/522067956.db2.gz JKAFGKUXUYLJHX-UHFFFAOYSA-N 0 0 442.626 1.648 50 0 IDAARN COCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cn(C)nc1OC ZINC000012872673 522073152 /nfs/dbraw/zinc/07/31/52/522073152.db2.gz GTSIJSBBOARVBR-UHFFFAOYSA-N 0 0 446.489 1.793 50 0 IDAARN COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1OCC(N)=O ZINC000021409345 522083391 /nfs/dbraw/zinc/08/33/91/522083391.db2.gz MWISDIJBXNMHDV-UHFFFAOYSA-N 0 0 425.485 1.452 50 0 IDAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000012196754 522088776 /nfs/dbraw/zinc/08/87/76/522088776.db2.gz BGERZPUOVDSXPY-QGZVFWFLSA-N 0 0 445.497 1.650 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)s1 ZINC000012754457 522092402 /nfs/dbraw/zinc/09/24/02/522092402.db2.gz XEJKFFONVPTGFV-UHFFFAOYSA-N 0 0 440.499 1.955 50 0 IDAARN COC(=O)c1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)cc1 ZINC000020531494 522113454 /nfs/dbraw/zinc/11/34/54/522113454.db2.gz XBJJHBOTKIHGJC-GOSISDBHSA-N 0 0 430.482 1.871 50 0 IDAARN CC[C@@H](C)N1Cc2c(n(CC(=O)N3CCOCC3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000036014451 522137377 /nfs/dbraw/zinc/13/73/77/522137377.db2.gz MPDREERDROIKOJ-MRXNPFEDSA-N 0 0 449.511 1.776 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)NCC(C)C)nn2)C1 ZINC000014994261 522289928 /nfs/dbraw/zinc/28/99/28/522289928.db2.gz YTFNZDSRFHRSSH-OAHLLOKOSA-N 0 0 449.533 1.476 50 0 IDAARN COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCCCc2cccnc2)cc(OC)c1 ZINC000020600347 522385650 /nfs/dbraw/zinc/38/56/50/522385650.db2.gz YDCLTOWSIUHONF-OAQYLSRUSA-N 0 0 426.517 1.538 50 0 IDAARN COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCC2CCOCC2)cc(OC)c1 ZINC000012572704 522386098 /nfs/dbraw/zinc/38/60/98/522386098.db2.gz WCRLHIBLQQOKSG-NRFANRHFSA-N 0 0 433.549 1.669 50 0 IDAARN CN(CC(=O)N1CCN(C)c2nc3ccccc3nc21)S(=O)(=O)c1ccc(F)cc1 ZINC000014901137 522438125 /nfs/dbraw/zinc/43/81/25/522438125.db2.gz BLNVIJAYRTYCRJ-UHFFFAOYSA-N 0 0 429.477 1.872 50 0 IDAARN CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000020923431 522438189 /nfs/dbraw/zinc/43/81/89/522438189.db2.gz UDQQSBVRAGETKI-UHFFFAOYSA-N 0 0 440.525 1.497 50 0 IDAARN CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020487042 522477414 /nfs/dbraw/zinc/47/74/14/522477414.db2.gz ZTNRJZARPAFWQY-UHFFFAOYSA-N 0 0 429.542 1.920 50 0 IDAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000012557966 522506363 /nfs/dbraw/zinc/50/63/63/522506363.db2.gz IGLSTUHMXFCOOL-UHFFFAOYSA-N 0 0 443.504 1.084 50 0 IDAARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012906626 522511395 /nfs/dbraw/zinc/51/13/95/522511395.db2.gz OHOXGGZZCZREIT-UHFFFAOYSA-N 0 0 448.520 1.229 50 0 IDAARN CN(CC(=O)Nc1cccnc1-n1cccn1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000023171003 522521532 /nfs/dbraw/zinc/52/15/32/522521532.db2.gz GPTFJZHREROOQY-UHFFFAOYSA-N 0 0 443.485 1.688 50 0 IDAARN COc1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1 ZINC000012522063 522662893 /nfs/dbraw/zinc/66/28/93/522662893.db2.gz MMFDJQLFBPWFON-UHFFFAOYSA-N 0 0 435.502 1.775 50 0 IDAARN COc1cc(NC(=O)Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)cc(OC)c1 ZINC000020575019 522676550 /nfs/dbraw/zinc/67/65/50/522676550.db2.gz PEDZSXZYIVEQKS-UHFFFAOYSA-N 0 0 428.424 1.585 50 0 IDAARN COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(C[C@@H]5CCCO5)C(=O)[C@@H]24)O3)cc(OC)c1OC ZINC000015905310 522712580 /nfs/dbraw/zinc/71/25/80/522712580.db2.gz LQAIALVFPHCXFW-HPWZINAISA-N 0 0 444.484 1.612 50 0 IDAARN COC(=O)C1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 ZINC000015066746 522919278 /nfs/dbraw/zinc/91/92/78/522919278.db2.gz BXWLGWHMMOIXSP-SFHVURJKSA-N 0 0 425.551 1.631 50 0 IDAARN COc1cc2ncn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2cc1OC ZINC000020718614 523071286 /nfs/dbraw/zinc/07/12/86/523071286.db2.gz WQABSDFTVSBVLN-UHFFFAOYSA-N 0 0 426.448 1.902 50 0 IDAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1CCC(N)=O ZINC000012807319 523080783 /nfs/dbraw/zinc/08/07/83/523080783.db2.gz VKJSWPORTMLLFB-CQSZACIVSA-N 0 0 431.518 1.421 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC)C(=O)OC ZINC000020763138 523119026 /nfs/dbraw/zinc/11/90/26/523119026.db2.gz RGJMHCAKKBGZKJ-HNAYVOBHSA-N 0 0 430.461 1.570 50 0 biogenic IDAARN COCCCN(C(=O)Cc1csc2nc(C)cn12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012547805 523193831 /nfs/dbraw/zinc/19/38/31/523193831.db2.gz BNIPLPMIQBASRI-UHFFFAOYSA-N 0 0 448.549 1.405 50 0 IDAARN CCn1c2nnc(CCC(=O)N3CCN(c4ncccn4)CC3)n2c2ccsc2c1=O ZINC000035528466 523297224 /nfs/dbraw/zinc/29/72/24/523297224.db2.gz NHFBXMAHZOYDOC-UHFFFAOYSA-N 0 0 438.517 1.197 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(F)cc2)n(C)c1=O ZINC000012231764 523389293 /nfs/dbraw/zinc/38/92/93/523389293.db2.gz KHBONRNFKWILCO-UHFFFAOYSA-N 0 0 440.435 1.060 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(C)cc2)n(C)c1=O ZINC000012231720 523390674 /nfs/dbraw/zinc/39/06/74/523390674.db2.gz AONDFXZTXOQJME-UHFFFAOYSA-N 0 0 436.472 1.229 50 0 IDAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCOC)C3)c(C)cc2NC1=O ZINC000035396643 523418682 /nfs/dbraw/zinc/41/86/82/523418682.db2.gz ARAYIIKKNCKUPS-GOEBONIOSA-N 0 0 439.534 1.268 50 0 IDAARN COC(=O)N1CCc2c(sc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C(N)=O)C1 ZINC000012361165 523431726 /nfs/dbraw/zinc/43/17/26/523431726.db2.gz KHEDWRWPKSZSFH-UHFFFAOYSA-N 0 0 437.499 1.627 50 0 IDAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC000012889763 523451322 /nfs/dbraw/zinc/45/13/22/523451322.db2.gz MVXWMRJNABVTPR-JXXFODFXSA-N 0 0 427.567 1.196 50 0 biogenic IDAARN CCn1ccnc1CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C ZINC000012430511 523524827 /nfs/dbraw/zinc/52/48/27/523524827.db2.gz BVIQKESPMVNLTA-IBGZPJMESA-N 0 0 427.549 1.878 50 0 IDAARN CCn1ccnc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(OC)c(C)c1C ZINC000012430512 523525270 /nfs/dbraw/zinc/52/52/70/523525270.db2.gz BVIQKESPMVNLTA-LJQANCHMSA-N 0 0 427.549 1.878 50 0 IDAARN COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(OC)c1 ZINC000012795303 523582953 /nfs/dbraw/zinc/58/29/53/523582953.db2.gz UPRIULCCEIWERL-OAQYLSRUSA-N 0 0 436.428 1.329 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccccc1OC ZINC000035374210 523670730 /nfs/dbraw/zinc/67/07/30/523670730.db2.gz AHVRGVGITCTIFW-UHFFFAOYSA-N 0 0 437.456 1.977 50 0 IDAARN COc1ccc(C(=O)NCCn2cc(C(=O)Nc3ccccc3)nn2)c(OC)c1OC ZINC000014993900 523703861 /nfs/dbraw/zinc/70/38/61/523703861.db2.gz VOTXIRDSIPAUJN-UHFFFAOYSA-N 0 0 425.445 1.986 50 0 IDAARN CN1C(=O)c2cc(C(=O)N3CCCCC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876913 523727846 /nfs/dbraw/zinc/72/78/46/523727846.db2.gz CEGXGHSSZMRFAN-JOCHJYFZSA-N 0 0 427.480 1.809 50 0 IDAARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1S(=O)(=O)N(C)C ZINC000015754644 523772106 /nfs/dbraw/zinc/77/21/06/523772106.db2.gz LSAGFRJHSBZDOK-CYBMUJFWSA-N 0 0 438.506 1.480 50 0 IDAARN COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(OC)c(OC)c2)OC(N2CCOCC2)=N1 ZINC000012371250 523826562 /nfs/dbraw/zinc/82/65/62/523826562.db2.gz FCXBEFQDXBOUGJ-QGZVFWFLSA-N 0 0 431.367 1.600 50 0 IDAARN COC(=O)[C@@](O)(COC(=O)c1cccc(Cl)c1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000012558700 523827378 /nfs/dbraw/zinc/82/73/78/523827378.db2.gz HALOWZHOEAFVJB-HOTGVXAUSA-N 0 0 436.770 1.585 50 0 IDAARN CN(C(=O)COC(=O)c1ccc(Cl)nc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012918033 523829466 /nfs/dbraw/zinc/82/94/66/523829466.db2.gz CMCXBWJIRSSEKC-UHFFFAOYSA-N 0 0 443.847 1.035 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 ZINC000035598103 523847016 /nfs/dbraw/zinc/84/70/16/523847016.db2.gz NWRPEXBNSGFHQM-UHFFFAOYSA-N 0 0 428.518 1.799 50 0 IDAARN CCc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1 ZINC000020518535 523865924 /nfs/dbraw/zinc/86/59/24/523865924.db2.gz ZGBCEOCUJLPGDF-UHFFFAOYSA-N 0 0 436.516 1.342 50 0 IDAARN COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)NC2=O)cc1 ZINC000035432458 523874838 /nfs/dbraw/zinc/87/48/38/523874838.db2.gz WHFHRAOCGMLMFO-UHFFFAOYSA-N 0 0 429.498 1.804 50 0 IDAARN COc1ccc(C2=NO[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C2)cc1 ZINC000020602411 523879870 /nfs/dbraw/zinc/87/98/70/523879870.db2.gz OPPIJYYREGZZEA-HXUWFJFHSA-N 0 0 429.498 1.721 50 0 IDAARN CN1CCN(CC(=O)N2CCc3c4ccccc4[nH]c3[C@]23c2ccccc2NC3=O)CC1 ZINC000020636509 523891896 /nfs/dbraw/zinc/89/18/96/523891896.db2.gz KNXNFZNQVLNUGG-VWLOTQADSA-N 0 0 429.524 1.996 50 0 biogenic IDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4nonc43)CC2)cc1OC ZINC000012390881 523894192 /nfs/dbraw/zinc/89/41/92/523894192.db2.gz JRMVSIOPKMODAU-UHFFFAOYSA-N 0 0 446.485 1.316 50 0 IDAARN COc1ccc(CC(=O)N[C@@H](C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000012420665 523903738 /nfs/dbraw/zinc/90/37/38/523903738.db2.gz VZOUIASPPBZZIX-HXUWFJFHSA-N 0 0 432.498 1.013 50 0 IDAARN COC(=O)[C@H](CSC[C@H](NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1 ZINC000012862752 523909058 /nfs/dbraw/zinc/90/90/58/523909058.db2.gz OEFFFEWEQXAIFM-ROUUACIJSA-N 0 0 444.509 1.663 50 0 biogenic IDAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000041097399 523909638 /nfs/dbraw/zinc/90/96/38/523909638.db2.gz JJWLTWUZLHOKDA-KRWDZBQOSA-N 0 0 444.484 1.733 50 0 IDAARN COCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060884 523913161 /nfs/dbraw/zinc/91/31/61/523913161.db2.gz BDFITNPPYUXNGW-WOJBJXKFSA-N 0 0 448.541 1.871 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc3c(c2)N(Cc2noc(C4CCC4)n2)C(=O)CO3)CC1 ZINC000035513004 523916445 /nfs/dbraw/zinc/91/64/45/523916445.db2.gz JTNBINCJKHLGEB-UHFFFAOYSA-N 0 0 447.517 1.199 50 0 IDAARN COc1ccc(CCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012444833 523921484 /nfs/dbraw/zinc/92/14/84/523921484.db2.gz QUZTYTPGPQGBMA-UHFFFAOYSA-N 0 0 432.546 1.291 50 0 IDAARN CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCCC2)CC1 ZINC000012554522 523927910 /nfs/dbraw/zinc/92/79/10/523927910.db2.gz OQIQJGCQEDASOU-UHFFFAOYSA-N 0 0 436.578 1.588 50 0 IDAARN CCc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)c(OC)c2)nc1 ZINC000020599704 523933735 /nfs/dbraw/zinc/93/37/35/523933735.db2.gz GACNIBGUVOJKFG-LJQANCHMSA-N 0 0 426.517 1.668 50 0 IDAARN COc1ccc(CCN(C)C(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC ZINC000015846242 523938604 /nfs/dbraw/zinc/93/86/04/523938604.db2.gz BEVVSRCTPPGRKH-UHFFFAOYSA-N 0 0 431.514 1.834 50 0 IDAARN COc1ccc(CCN2CNc3c(c(=O)[nH]c(=O)n3-c3ccccc3OC)C2)cc1OC ZINC000012371800 523950330 /nfs/dbraw/zinc/95/03/30/523950330.db2.gz NIFYOEBEWXCADV-UHFFFAOYSA-N 0 0 438.484 1.979 50 0 IDAARN COc1ccc(CCNC(=O)CN(C)c2nnc(N3CCCCC3=O)s2)cc1OC ZINC000021027454 523957110 /nfs/dbraw/zinc/95/71/10/523957110.db2.gz VLDICDOANQTHAW-UHFFFAOYSA-N 0 0 433.534 1.867 50 0 IDAARN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1OC ZINC000021927786 523967130 /nfs/dbraw/zinc/96/71/30/523967130.db2.gz HQZYSJRWHNLHLN-INIZCTEOSA-N 0 0 436.534 1.197 50 0 IDAARN CCc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)s1 ZINC000021149734 524012799 /nfs/dbraw/zinc/01/27/99/524012799.db2.gz ZMZOKOIJLQUIPO-UHFFFAOYSA-N 0 0 436.538 1.932 50 0 IDAARN COc1ccc(CN2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)c(OC)c1OC ZINC000020994087 524031340 /nfs/dbraw/zinc/03/13/40/524031340.db2.gz XLVVMAHLVPKQBL-UHFFFAOYSA-N 0 0 441.484 1.965 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2c(C)n[nH]c2C)c(F)c1 ZINC000012026351 524034238 /nfs/dbraw/zinc/03/42/38/524034238.db2.gz LYPCRPKHIZAMIN-FQEVSTJZSA-N 0 0 431.512 1.566 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cn(C)nc2C)c(C)c1C ZINC000012760339 524034297 /nfs/dbraw/zinc/03/42/97/524034297.db2.gz WFVQXIRDNMXOIQ-FQEVSTJZSA-N 0 0 427.549 1.703 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cc(OC)ccc2OC)c(F)c1 ZINC000012613303 524034520 /nfs/dbraw/zinc/03/45/20/524034520.db2.gz OZYHLHQEPIDQGA-HXUWFJFHSA-N 0 0 445.491 1.858 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCOc2ccccc2)cc1OC ZINC000012195371 524034563 /nfs/dbraw/zinc/03/45/63/524034563.db2.gz ZXTOJDBULWGONQ-HXUWFJFHSA-N 0 0 441.528 1.932 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1.765 50 0 IDAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2Cl)CC1 ZINC000012583737 525164946 /nfs/dbraw/zinc/16/49/46/525164946.db2.gz ZCNOOBOECACROG-AWEZNQCLSA-N 0 0 430.954 1.987 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000022957379 525174198 /nfs/dbraw/zinc/17/41/98/525174198.db2.gz OIIVCBRBDYEVFQ-UHFFFAOYSA-N 0 0 428.514 1.719 50 0 IDAARN COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCOCC2)cc1 ZINC000023107504 525178757 /nfs/dbraw/zinc/17/87/57/525178757.db2.gz WPQUIVZSLCURAT-HXUWFJFHSA-N 0 0 427.501 1.510 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000012915194 525197977 /nfs/dbraw/zinc/19/79/77/525197977.db2.gz NKQAKSBNMYSMJC-UHFFFAOYSA-N 0 0 444.509 1.945 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000012783260 525198957 /nfs/dbraw/zinc/19/89/57/525198957.db2.gz HISSKLHYAKJUBY-UHFFFAOYSA-N 0 0 443.569 1.947 50 0 IDAARN Cc1ccccc1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000024515685 525221477 /nfs/dbraw/zinc/22/14/77/525221477.db2.gz AQTCZOIBKIPZRQ-LJQANCHMSA-N 0 0 431.489 1.773 50 0 IDAARN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000022020716 525238077 /nfs/dbraw/zinc/23/80/77/525238077.db2.gz XLHRUNFNAKRVQZ-UHFFFAOYSA-N 0 0 445.419 1.975 50 0 IDAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012768524 525257150 /nfs/dbraw/zinc/25/71/50/525257150.db2.gz FNCICWNERAGUGZ-QGZVFWFLSA-N 0 0 431.514 1.834 50 0 IDAARN C[C@]1(NC(=O)CCCNC(=O)N2CCc3c4ccccc4[nH]c3C2)CCS(=O)(=O)C1 ZINC000012391240 525288113 /nfs/dbraw/zinc/28/81/13/525288113.db2.gz YHPNEVINJSSDSZ-NRFANRHFSA-N 0 0 432.546 1.709 50 0 IDAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009253379 525288868 /nfs/dbraw/zinc/28/88/68/525288868.db2.gz PPGUXIKVUHGGEQ-RYUDHWBXSA-N 0 0 445.453 1.413 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)c(F)c1 ZINC000009469078 534847062 /nfs/dbraw/zinc/84/70/62/534847062.db2.gz HQDTWRJGSUEVGX-UHFFFAOYSA-N 0 0 430.480 1.932 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c2c(nc1N1CCC[C@H](C)C1)n(C)c(=O)n(C)c2=O ZINC000012232416 525314322 /nfs/dbraw/zinc/31/43/22/525314322.db2.gz JLUVWMBXPDLSCJ-DOTOQJQBSA-N 0 0 441.532 1.418 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c2c(nc1N1CCC[C@@H](C)C1)n(C)c(=O)n(C)c2=O ZINC000012232412 525315572 /nfs/dbraw/zinc/31/55/72/525315572.db2.gz JLUVWMBXPDLSCJ-NVXWUHKLSA-N 0 0 441.532 1.418 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000012633052 525332755 /nfs/dbraw/zinc/33/27/55/525332755.db2.gz CBFCFPUHLDEFEK-OAQYLSRUSA-N 0 0 446.504 1.557 50 0 IDAARN COc1ccc([C@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2nccn2C)cc1 ZINC000012506904 525363719 /nfs/dbraw/zinc/36/37/19/525363719.db2.gz FIKZQDHKTVXKMS-SFHVURJKSA-N 0 0 427.486 1.132 50 0 IDAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000012753678 525395031 /nfs/dbraw/zinc/39/50/31/525395031.db2.gz PXJRMHMZAQJFNK-CYBMUJFWSA-N 0 0 432.527 1.160 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020489244 525401871 /nfs/dbraw/zinc/40/18/71/525401871.db2.gz UXIMBHDBENQQBR-UHFFFAOYSA-N 0 0 440.525 1.468 50 0 IDAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NC[C@H]2CCCO2)C(=O)[C@]31C ZINC000012868335 525483826 /nfs/dbraw/zinc/48/38/26/525483826.db2.gz XGDXGVGJOYVJQV-WXQIDZRNSA-N 0 0 440.500 1.896 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000012608367 525493203 /nfs/dbraw/zinc/49/32/03/525493203.db2.gz JAOTXWOENVSDPE-UHFFFAOYSA-N 0 0 430.486 1.277 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000012738459 525529778 /nfs/dbraw/zinc/52/97/78/525529778.db2.gz OVPQVBJXCRDQIR-ROUUACIJSA-N 0 0 429.608 1.914 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cccc(F)c1 ZINC000023514196 525547891 /nfs/dbraw/zinc/54/78/91/525547891.db2.gz NYVCDBKKRVVJIX-UHFFFAOYSA-N 0 0 436.461 1.951 50 0 IDAARN Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCCN3CCOCC3)cc1CC2 ZINC000020510645 525573688 /nfs/dbraw/zinc/57/36/88/525573688.db2.gz XQJFXNIGPUQFTF-UHFFFAOYSA-N 0 0 441.532 1.235 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1cccnc1 ZINC000033129087 525576663 /nfs/dbraw/zinc/57/66/63/525576663.db2.gz LWJBWGFXKRYTSS-OAHLLOKOSA-N 0 0 443.529 1.965 50 0 IDAARN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)sc2[nH]cnc(=O)c12 ZINC000012677498 525579984 /nfs/dbraw/zinc/57/99/84/525579984.db2.gz UKHMHPRJDKTXAD-HNNXBMFYSA-N 0 0 440.481 1.417 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)N1c3ccccc3C[C@@H]1C)OCC(=O)N2 ZINC000021650842 525611665 /nfs/dbraw/zinc/61/16/65/525611665.db2.gz PBMFNLPSUSMGDM-AWEZNQCLSA-N 0 0 429.498 1.924 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)O[C@@H](C)C(=O)N2 ZINC000021727958 525616093 /nfs/dbraw/zinc/61/60/93/525616093.db2.gz FPQXKQARSXSWBD-ZDUSSCGKSA-N 0 0 425.507 1.956 50 0 IDAARN Cc1c(C)n(-c2ccccc2C)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000022385754 525680376 /nfs/dbraw/zinc/68/03/76/525680376.db2.gz AXVVAIMWTDLAFV-UHFFFAOYSA-N 0 0 436.516 1.396 50 0 IDAARN Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C ZINC000033325732 525717959 /nfs/dbraw/zinc/71/79/59/525717959.db2.gz RHDPZAQOUGCGNZ-SFHVURJKSA-N 0 0 444.557 1.864 50 0 IDAARN C[C@@]1(C(=O)NC2CCCC2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccc(Cl)cc1 ZINC000021869671 525790446 /nfs/dbraw/zinc/79/04/46/525790446.db2.gz BXMKMRTWWSCMPJ-IBGZPJMESA-N 0 0 427.954 1.761 50 0 IDAARN C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc[nH]1 ZINC000012622610 525858755 /nfs/dbraw/zinc/85/87/55/525858755.db2.gz DPIHNOBLJUNDCM-PSLIRLAXSA-N 0 0 435.285 1.775 50 0 IDAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000012568740 525870565 /nfs/dbraw/zinc/87/05/65/525870565.db2.gz HXBPVAYWEYHAIO-XMSQKQJNSA-N 0 0 447.557 1.720 50 0 IDAARN C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012904338 525877621 /nfs/dbraw/zinc/87/76/21/525877621.db2.gz VRTBZIJWNJPWDW-HNNXBMFYSA-N 0 0 431.489 1.465 50 0 IDAARN C[C@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000012813702 525883473 /nfs/dbraw/zinc/88/34/73/525883473.db2.gz QUHNOSBCKUUOQN-WFASDCNBSA-N 0 0 430.910 1.037 50 0 IDAARN Cc1c(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc(C(=O)N2CCCCC2)n1C ZINC000035422198 525884888 /nfs/dbraw/zinc/88/48/88/525884888.db2.gz XNPNHEWNMHPIOQ-UHFFFAOYSA-N 0 0 432.550 1.261 50 0 IDAARN C[C@@H](OC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)Nc1ncc(Cl)cc1Cl ZINC000014707795 525890143 /nfs/dbraw/zinc/89/01/43/525890143.db2.gz QANQQQYHCLCHBC-SECBINFHSA-N 0 0 437.239 1.962 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1=O ZINC000013113360 525890975 /nfs/dbraw/zinc/89/09/75/525890975.db2.gz VLDBPLLCUPURAB-QFIPXVFZSA-N 0 0 428.489 1.127 50 0 IDAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1sccc1C(N)=O ZINC000012898539 525894615 /nfs/dbraw/zinc/89/46/15/525894615.db2.gz HUICZQNJIVVVSQ-SNVBAGLBSA-N 0 0 437.499 1.472 50 0 IDAARN C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012506150 525895701 /nfs/dbraw/zinc/89/57/01/525895701.db2.gz YELTVLNKVFSGPH-GFCCVEGCSA-N 0 0 432.433 1.843 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1ccc(Cl)cc1 ZINC000020518270 525942768 /nfs/dbraw/zinc/94/27/68/525942768.db2.gz PTQNAZYSLGMNCJ-UHFFFAOYSA-N 0 0 442.907 1.433 50 0 IDAARN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cccc(F)c2)c1OC ZINC000012715455 525949238 /nfs/dbraw/zinc/94/92/38/525949238.db2.gz LNZRHLGMYZBOFD-LJQANCHMSA-N 0 0 429.492 1.892 50 0 IDAARN Cc1c2cc3c(cc2[nH]c(=O)c1-n1cc(S(=O)(=O)N2CCCC2)ccc1=O)OCO3 ZINC000012910104 525961463 /nfs/dbraw/zinc/96/14/63/525961463.db2.gz AAUHIXSCKDXLGI-UHFFFAOYSA-N 0 0 429.454 1.501 50 0 IDAARN COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1 ZINC000035452770 525970638 /nfs/dbraw/zinc/97/06/38/525970638.db2.gz VLISGJJJHABCDH-AWEZNQCLSA-N 0 0 447.513 1.660 50 0 IDAARN COc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000033261956 526000821 /nfs/dbraw/zinc/00/08/21/526000821.db2.gz PXXIYZJFFYRHPK-GOSISDBHSA-N 0 0 445.497 1.496 50 0 IDAARN COc1cccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCCC(C)C)N(C)C3=O)c1 ZINC000021875754 526004077 /nfs/dbraw/zinc/00/40/77/526004077.db2.gz BUNHWUSGEJXFHE-HSZRJFAPSA-N 0 0 441.532 1.828 50 0 IDAARN C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000021669695 526015325 /nfs/dbraw/zinc/01/53/25/526015325.db2.gz SBMXHJUKBKKZGJ-YWPYICTPSA-N 0 0 438.531 1.112 50 0 IDAARN C[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000021618728 526015442 /nfs/dbraw/zinc/01/54/42/526015442.db2.gz WTLVSNYPAZDUKH-ZCFIWIBFSA-N 0 0 429.289 1.379 50 0 IDAARN Cc1cc(-c2ccc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)s2)on1 ZINC000020978432 526041099 /nfs/dbraw/zinc/04/10/99/526041099.db2.gz KBFHJZJYMSRULD-UHFFFAOYSA-N 0 0 427.529 1.880 50 0 IDAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000012568741 526051617 /nfs/dbraw/zinc/05/16/17/526051617.db2.gz HXBPVAYWEYHAIO-GCJKJVERSA-N 0 0 447.557 1.720 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)o2)nn1C ZINC000012443158 526060242 /nfs/dbraw/zinc/06/02/42/526060242.db2.gz BCXFYVJQKHODDG-OAHLLOKOSA-N 0 0 434.453 1.709 50 0 IDAARN C[C@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012927143 526087090 /nfs/dbraw/zinc/08/70/90/526087090.db2.gz YBOKMHDVJABXMA-OAHLLOKOSA-N 0 0 432.546 1.744 50 0 IDAARN Cc1cc(=O)c(C(=O)NCCCN2CCOCC2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000020996542 526128965 /nfs/dbraw/zinc/12/89/65/526128965.db2.gz ODANKRCRVUPIJS-LJQANCHMSA-N 0 0 441.528 1.757 50 0 IDAARN COc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(F)cc2)c1 ZINC000021528923 526137524 /nfs/dbraw/zinc/13/75/24/526137524.db2.gz PEFQSQSSUIDQTC-NRFANRHFSA-N 0 0 449.504 1.518 50 0 IDAARN COc1cccc(N2CCN(C(=O)c3cnc4sc(N5CCCC5)nn4c3=O)CC2)c1 ZINC000020987408 526152267 /nfs/dbraw/zinc/15/22/67/526152267.db2.gz GLMVKKPVSIJJAA-UHFFFAOYSA-N 0 0 440.529 1.722 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)s1 ZINC000012568635 526153350 /nfs/dbraw/zinc/15/33/50/526153350.db2.gz OZNWOUZOUZTXBA-SFHVURJKSA-N 0 0 434.949 1.811 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)[C@H]3COc4ccccc4O3)CC2=O)c1 ZINC000020745916 526161197 /nfs/dbraw/zinc/16/11/97/526161197.db2.gz XKEJPCJLZAMDMI-MGPUTAFESA-N 0 0 439.468 1.121 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)NCCNC(=O)[C@H]3COc4ccccc4O3)CC2=O)c1 ZINC000020745917 526162790 /nfs/dbraw/zinc/16/27/90/526162790.db2.gz XKEJPCJLZAMDMI-FOIQADDNSA-N 0 0 439.468 1.121 50 0 IDAARN CSc1ccccc1NC(=O)CN(C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000012520414 526167889 /nfs/dbraw/zinc/16/78/89/526167889.db2.gz MFCZKCYXICYILF-UHFFFAOYSA-N 0 0 430.534 1.116 50 0 IDAARN COc1cccc(NC(=O)CCc2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)c1 ZINC000035401811 526170807 /nfs/dbraw/zinc/17/08/07/526170807.db2.gz 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C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(CC(=O)Nc3cccc(F)c3)CC1)C2=O ZINC000022788842 526259669 /nfs/dbraw/zinc/25/96/69/526259669.db2.gz BEIIGFGYNKQSDK-KSFYIVLOSA-N 0 0 431.512 1.840 50 0 IDAARN Cc1nn(CCC(=O)Nc2ccc3c(c2)OCO3)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029904 526278481 /nfs/dbraw/zinc/27/84/81/526278481.db2.gz LESIFXYQHVRENE-UHFFFAOYSA-N 0 0 436.490 1.278 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012820200 526307443 /nfs/dbraw/zinc/30/74/43/526307443.db2.gz FRCPCYZJFOXZJW-HNNXBMFYSA-N 0 0 446.533 1.100 50 0 IDAARN Cc1csc(=O)n1CCC(=O)O[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000022384990 526309777 /nfs/dbraw/zinc/30/97/77/526309777.db2.gz SBJYMNDRCFSUEU-JTQLQIEISA-N 0 0 445.419 1.712 50 0 IDAARN O=C(NCCN1CCOCC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556943 526318364 /nfs/dbraw/zinc/31/83/64/526318364.db2.gz LACGOZYLSNEKPI-QGZVFWFLSA-N 0 0 427.553 1.218 50 0 IDAARN O=C(NCCNC(=O)c1cccc(F)c1)c1nc(Cn2cc(Br)cn2)no1 ZINC000015082732 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O=S(=O)(CC1CC1)c1ncc(CN2CCN(c3cnccn3)CC2)n1C[C@@H]1CCCO1 ZINC000020449855 527165023 /nfs/dbraw/zinc/16/50/23/527165023.db2.gz HOPFUHOOCZJPFX-IBGZPJMESA-N 0 0 446.577 1.358 50 0 IDAARN Cc1nc2nc(-c3ccccc3Cl)nn2c(C)c1CC(=O)N1CCN(CCO)CC1 ZINC000021798694 527198448 /nfs/dbraw/zinc/19/84/48/527198448.db2.gz REVYHVANRVOFAE-UHFFFAOYSA-N 0 0 428.924 1.741 50 0 IDAARN O=C(Cc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012391515 527203777 /nfs/dbraw/zinc/20/37/77/527203777.db2.gz ATDZUPRXLBFCMS-UHFFFAOYSA-N 0 0 425.470 1.780 50 0 IDAARN O=S(=O)(NC1CCC(NS(=O)(=O)N2CCCCCC2)CC1)N1CCCCCC1 ZINC000022409906 527208738 /nfs/dbraw/zinc/20/87/38/527208738.db2.gz FUMJBFHOXKPKCW-UHFFFAOYSA-N 0 0 436.644 1.718 50 0 IDAARN Cn1cc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cn1 ZINC000012754123 527212777 /nfs/dbraw/zinc/21/27/77/527212777.db2.gz ZNMCJKULQGSZEN-UHFFFAOYSA-N 0 0 426.926 1.806 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCOc1ccccc1F ZINC000012931818 527243874 /nfs/dbraw/zinc/24/38/74/527243874.db2.gz IGYIXRGZSAGPIA-UHFFFAOYSA-N 0 0 428.507 1.646 50 0 IDAARN O=S(=O)(c1cccc2nsnc21)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000019077209 527285872 /nfs/dbraw/zinc/28/58/72/527285872.db2.gz FMJYZHKDCKSWSA-UHFFFAOYSA-N 0 0 428.503 1.178 50 0 IDAARN O=S(=O)(c1ccccc1F)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000021010894 527289793 /nfs/dbraw/zinc/28/97/93/527289793.db2.gz ATYZJMUPPZOLKR-UHFFFAOYSA-N 0 0 439.476 1.861 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CC2N=NC(=S)N2Cc2ccccc2)cc1 ZINC000012873055 527310396 /nfs/dbraw/zinc/31/03/96/527310396.db2.gz IJMKFNOSZBBJBL-UHFFFAOYSA-N 0 0 431.543 1.164 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 ZINC000012194395 527310448 /nfs/dbraw/zinc/31/04/48/527310448.db2.gz BACLBUCJUGOFKK-UHFFFAOYSA-N 0 0 437.543 1.237 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000014248199 527313845 /nfs/dbraw/zinc/31/38/45/527313845.db2.gz IEJYNBDGMVLCIW-UHFFFAOYSA-N 0 0 437.543 1.439 50 0 IDAARN O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012879887 527336416 /nfs/dbraw/zinc/33/64/16/527336416.db2.gz JZCOSEOGQRQURV-UHFFFAOYSA-N 0 0 441.469 1.204 50 0 IDAARN O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1 ZINC000014537840 527342075 /nfs/dbraw/zinc/34/20/75/527342075.db2.gz GKGWIISMKUOYNK-JQHSSLGASA-N 0 0 428.876 1.878 50 0 IDAARN Cn1cccc1[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc2C1 ZINC000021151965 527402502 /nfs/dbraw/zinc/40/25/02/527402502.db2.gz OTHLUSVBCPMXAO-JOCHJYFZSA-N 0 0 444.601 1.912 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009666656 527403506 /nfs/dbraw/zinc/40/35/06/527403506.db2.gz DXTFNUFMBJWQAG-UHFFFAOYSA-N 0 0 444.488 1.459 50 0 IDAARN O=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)NCc1ccc(F)cc1 ZINC000035425715 527417934 /nfs/dbraw/zinc/41/79/34/527417934.db2.gz GGVJBDYXZMIGBW-UHFFFAOYSA-N 0 0 436.447 1.336 50 0 IDAARN O=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)Nc1ccc(F)cc1F ZINC000035425678 527418347 /nfs/dbraw/zinc/41/83/47/527418347.db2.gz MLDSDPQZPPEMDK-UHFFFAOYSA-N 0 0 440.410 1.798 50 0 IDAARN O=C(Cn1nnc2ccccc2c1=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000014481137 527430576 /nfs/dbraw/zinc/43/05/76/527430576.db2.gz QGKSUHSOAZDDIM-UHFFFAOYSA-N 0 0 437.485 1.247 50 0 IDAARN O=C(Cn1nnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012528751 527430694 /nfs/dbraw/zinc/43/06/94/527430694.db2.gz WWUUGIRYJXMUJL-UHFFFAOYSA-N 0 0 427.486 1.605 50 0 IDAARN Cn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC000035505670 527485157 /nfs/dbraw/zinc/48/51/57/527485157.db2.gz SPDFMQWECLXVPT-UHFFFAOYSA-N 0 0 435.525 1.309 50 0 IDAARN O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000021886854 527525620 /nfs/dbraw/zinc/52/56/20/527525620.db2.gz NDFPIAVIJRVNKJ-CYBMUJFWSA-N 0 0 437.547 1.747 50 0 IDAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1cccc(OCC(N)=O)c1)CC(=O)N2 ZINC000021726647 527532808 /nfs/dbraw/zinc/53/28/08/527532808.db2.gz JOKBSUMRTJJKQP-OAHLLOKOSA-N 0 0 432.444 1.265 50 0 IDAARN Nc1nc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)nc2sc3c(c21)CCCC3 ZINC000012516570 527552408 /nfs/dbraw/zinc/55/24/08/527552408.db2.gz QGGQWNPLWABWMU-UHFFFAOYSA-N 0 0 445.526 1.693 50 0 IDAARN O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000032983210 527620061 /nfs/dbraw/zinc/62/00/61/527620061.db2.gz YKLIJXROCFXXET-IMAOXBOFSA-N 0 0 436.464 1.982 50 0 IDAARN Cn1nnnc1-c1cccc(NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012539733 527655263 /nfs/dbraw/zinc/65/52/63/527655263.db2.gz CKQSXLVZGIBBOJ-GOSISDBHSA-N 0 0 426.502 1.509 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)CN2CCCc3cc(C)ccc32)c(=O)[nH]c1=O ZINC000009508985 535136876 /nfs/dbraw/zinc/13/68/76/535136876.db2.gz UQVXATPBDMMDMS-UHFFFAOYSA-N 0 0 443.548 1.660 50 0 IDAARN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3cccc(OC)c3)CC2)=[NH+][C@H]1c1ccco1 ZINC000009418414 535502047 /nfs/dbraw/zinc/50/20/47/535502047.db2.gz MIEAOWDLYIVPHW-OALUTQOASA-N 0 0 426.473 1.817 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OCC)cc2)n(C)c1=O ZINC000009160469 535762560 /nfs/dbraw/zinc/76/25/60/535762560.db2.gz OISQEZAAGCETRT-CQSZACIVSA-N 0 0 441.488 1.646 50 0 IDAARN CCn1nnc2c1ncnc2N1CCN(CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000013534117 535919652 /nfs/dbraw/zinc/91/96/52/535919652.db2.gz JCJOYZLHRNEOKS-UHFFFAOYSA-N 0 0 430.900 1.664 50 0 IDAARN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000009229022 536320031 /nfs/dbraw/zinc/32/00/31/536320031.db2.gz RQRUJZHAUFNKFP-UHFFFAOYSA-N 0 0 445.516 1.857 50 0 IDAARN CNC(=O)[C@H]1CN(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000009547284 536399050 /nfs/dbraw/zinc/39/90/50/536399050.db2.gz ZWPMVOUAYOEALF-YLJYHZDGSA-N 0 0 443.525 1.220 50 0 IDAARN COc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009344469 536725028 /nfs/dbraw/zinc/72/50/28/536725028.db2.gz KLRJLQQDTBSDOT-OAQYLSRUSA-N 0 0 436.512 1.375 50 0 IDAARN COC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(F)cc54)c(=O)n3C2)cc1 ZINC000013592507 536737260 /nfs/dbraw/zinc/73/72/60/536737260.db2.gz LRTXBTFBOZHRQC-MSUUIHNZSA-N 0 0 438.440 1.041 50 0 IDAARN COc1cccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000009492699 536916056 /nfs/dbraw/zinc/91/60/56/536916056.db2.gz XWSJRZNMKHYRDS-QHCPKHFHSA-N 0 0 438.484 1.938 50 0 IDAARN COc1ccccc1OCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000013036783 537089879 /nfs/dbraw/zinc/08/98/79/537089879.db2.gz GBORBZBGLXHLMB-UHFFFAOYSA-N 0 0 445.483 1.947 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000625751 555512421 /nfs/dbraw/zinc/51/24/21/555512421.db2.gz FNJYRRDEWRADDA-INIZCTEOSA-N 0 0 427.505 1.916 50 0 IDAARN Cn1c2nc(Br)n(C[C@@H](O)COc3cccc4ccccc43)c2c(=O)[nH]c1=O ZINC000000626343 555512918 /nfs/dbraw/zinc/51/29/18/555512918.db2.gz HVOOPCLOPXAESL-GFCCVEGCSA-N 0 0 445.273 1.779 50 0 IDAARN C[C@@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000000632433 555515515 /nfs/dbraw/zinc/51/55/15/555515515.db2.gz DNPBBPDNGYCTFN-SECBINFHSA-N 0 0 425.308 1.707 50 0 IDAARN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 ZINC000000640194 555518047 /nfs/dbraw/zinc/51/80/47/555518047.db2.gz YXALURBCRTZWIE-UHFFFAOYSA-N 0 0 431.514 1.872 50 0 IDAARN COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000675667 555534348 /nfs/dbraw/zinc/53/43/48/555534348.db2.gz NDODIYATDYFTLM-UHFFFAOYSA-N 0 0 435.527 1.843 50 0 IDAARN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000000681973 555537709 /nfs/dbraw/zinc/53/77/09/555537709.db2.gz YZCCIGGSGUDKCX-INIZCTEOSA-N 0 0 438.509 1.333 50 0 IDAARN O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000000893908 555580037 /nfs/dbraw/zinc/58/00/37/555580037.db2.gz OIIZFLCGFVTNLS-UHFFFAOYSA-N 0 0 440.499 1.280 50 0 IDAARN COC(=O)c1sccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(N(C)C)cc1 ZINC000001033596 555607219 /nfs/dbraw/zinc/60/72/19/555607219.db2.gz ZSRIVUVDKWVYCW-MRXNPFEDSA-N 0 0 444.513 1.570 50 0 IDAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1cccc(F)c1 ZINC000001105236 555629269 /nfs/dbraw/zinc/62/92/69/555629269.db2.gz AETVYRCCKYUFKR-UHFFFAOYSA-N 0 0 435.477 1.703 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)C(=Cc2ccc(F)cc2)c2cccs2)c(=O)n(C)c1=O ZINC000009964027 555690976 /nfs/dbraw/zinc/69/09/76/555690976.db2.gz JRTJHAJMVWQIPE-GXDHUFHOSA-N 0 0 443.456 1.834 50 0 IDAARN Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCOCCO ZINC000001820963 555718673 /nfs/dbraw/zinc/71/86/73/555718673.db2.gz LHHKCPVKWJSONM-UHFFFAOYSA-N 0 0 439.588 1.934 50 0 IDAARN Cc1cccc(C)c1OC[C@@H](O)CNS(=O)(=O)c1ccccc1C(=O)N1CCOCC1 ZINC000002202483 555757474 /nfs/dbraw/zinc/75/74/74/555757474.db2.gz YHFQYZZGVOXVEI-SFHVURJKSA-N 0 0 448.541 1.494 50 0 IDAARN CN1CCN(c2nc3c(c(N4CCOCC4)n2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000034676705 555794643 /nfs/dbraw/zinc/79/46/43/555794643.db2.gz MDRVGKRZPWKGFW-UHFFFAOYSA-N 0 0 428.562 1.325 50 0 IDAARN C[C@H](C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1)N1C(=O)c2ccccc2C1=O ZINC000002694807 555799677 /nfs/dbraw/zinc/79/96/77/555799677.db2.gz FXWXEKHQQGXDTJ-SECBINFHSA-N 0 0 430.467 1.567 50 0 IDAARN CCN1CCc2c(sc(NC(=S)NC(=O)c3c(Cl)cnn3C)c2C(N)=O)C1 ZINC000002750573 555810106 /nfs/dbraw/zinc/81/01/06/555810106.db2.gz OTQKAHRUXNISID-UHFFFAOYSA-N 0 0 426.955 1.739 50 0 IDAARN CC(=O)N1CCN(C(=O)c2csc(CN3CCN(Cc4ccccc4)CC3)n2)CC1 ZINC000034685184 555820545 /nfs/dbraw/zinc/82/05/45/555820545.db2.gz KDDFUWDPPDXZRS-UHFFFAOYSA-N 0 0 427.574 1.765 50 0 IDAARN Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2 ZINC000002875233 555851732 /nfs/dbraw/zinc/85/17/32/555851732.db2.gz OMQDXAARMZQCMI-HXUWFJFHSA-N 0 0 444.369 1.974 50 0 IDAARN Cc1ccccc1-n1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2 ZINC000002875232 555851815 /nfs/dbraw/zinc/85/18/15/555851815.db2.gz OMQDXAARMZQCMI-FQEVSTJZSA-N 0 0 444.369 1.974 50 0 IDAARN Cc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc1 ZINC000002885277 555857814 /nfs/dbraw/zinc/85/78/14/555857814.db2.gz IAVYYLJDNHFNJY-FQEVSTJZSA-N 0 0 444.369 1.974 50 0 IDAARN Cc1cc(OCCCCOc2ccc(S(N)(=O)=O)c(C)c2)ccc1S(N)(=O)=O ZINC000002953451 555866450 /nfs/dbraw/zinc/86/64/50/555866450.db2.gz OZSGHVHNVXKTIZ-UHFFFAOYSA-N 0 0 428.532 1.836 50 0 IDAARN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCO ZINC000002958045 555867008 /nfs/dbraw/zinc/86/70/08/555867008.db2.gz JTGGJTHBHDTYCV-UHFFFAOYSA-N 0 0 441.347 1.791 50 0 IDAARN CNC(=S)N(CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000002965327 555868254 /nfs/dbraw/zinc/86/82/54/555868254.db2.gz UZBOZISHHGZQFM-KRWDZBQOSA-N 0 0 446.554 1.015 50 0 IDAARN O=C(NCCCN1CCOCC1)N1CCSc2nnc(COc3ccccc3F)n21 ZINC000034830964 555911933 /nfs/dbraw/zinc/91/19/33/555911933.db2.gz NFYYYFSHINREJL-UHFFFAOYSA-N 0 0 436.513 1.472 50 0 IDAARN COc1cccc(N2CCN(c3nnc(C(=O)NN4CCOCC4)c4ccccc43)CC2)c1 ZINC000034839562 555914776 /nfs/dbraw/zinc/91/47/76/555914776.db2.gz PMGSAFYXEKFJDU-UHFFFAOYSA-N 0 0 448.527 1.942 50 0 IDAARN CC(=O)N1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2ccccc2Cl)CC3)CC1 ZINC000034797279 555918655 /nfs/dbraw/zinc/91/86/55/555918655.db2.gz VAOIJMPHEUFUKB-UHFFFAOYSA-N 0 0 429.908 1.495 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000003612996 555941083 /nfs/dbraw/zinc/94/10/83/555941083.db2.gz JGTIFUXZSKORNG-MRXNPFEDSA-N 0 0 448.423 1.881 50 0 IDAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000003843100 555947726 /nfs/dbraw/zinc/94/77/26/555947726.db2.gz OBNBHYQEYRONSE-YMQHIKHWSA-N 0 0 438.429 1.457 50 0 biogenic IDAARN CCOC(=O)CC[C@@H](NC(=O)c1ccc(NCN2C(=O)CCC2=O)cc1)C(=O)OCC ZINC000004058455 555955997 /nfs/dbraw/zinc/95/59/97/555955997.db2.gz QPMMMQYNOJWQNW-MRXNPFEDSA-N 0 0 433.461 1.210 50 0 IDAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004166375 555971801 /nfs/dbraw/zinc/97/18/01/555971801.db2.gz OYLZNRHNLPWFGG-HNNXBMFYSA-N 0 0 431.445 1.114 50 0 IDAARN COc1ccc(NC(=O)COC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004291141 555983458 /nfs/dbraw/zinc/98/34/58/555983458.db2.gz DJAFTRPNTMCWKV-UHFFFAOYSA-N 0 0 432.429 1.633 50 0 IDAARN O=C1CCC(=O)N1CN1CCC(CCCC2CCN(CN3C(=O)CCC3=O)CC2)CC1 ZINC000004322702 555986423 /nfs/dbraw/zinc/98/64/23/555986423.db2.gz KGXGEEJLNROPBI-UHFFFAOYSA-N 0 0 432.565 1.794 50 0 IDAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000010556495 555986463 /nfs/dbraw/zinc/98/64/63/555986463.db2.gz ISRVYNCFUXGYRY-UHFFFAOYSA-N 0 0 448.527 1.799 50 0 IDAARN CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1ncccn1 ZINC000006529330 556092688 /nfs/dbraw/zinc/09/26/88/556092688.db2.gz PWYPNUCUNLAZFU-UHFFFAOYSA-N 0 0 437.529 1.652 50 0 IDAARN COCCn1cnc2c1c(=O)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n2CC(C)C ZINC000010579506 556094605 /nfs/dbraw/zinc/09/46/05/556094605.db2.gz QFESEDAVHZAHAQ-UHFFFAOYSA-N 0 0 433.896 1.954 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(CC)o3)cc2)CC1 ZINC000002720169 556126546 /nfs/dbraw/zinc/12/65/46/556126546.db2.gz RDYBTFGGNBHFNR-UHFFFAOYSA-N 0 0 437.478 1.347 50 0 IDAARN Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cnn1C ZINC000002732423 556134888 /nfs/dbraw/zinc/13/48/88/556134888.db2.gz VYLRARYNRSBSFH-GFCCVEGCSA-N 0 0 434.444 1.527 50 0 IDAARN CCCNC(=O)c1c(NC(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)cnn1C ZINC000002788463 556139092 /nfs/dbraw/zinc/13/90/92/556139092.db2.gz BNPHDTPRDWXKEI-UHFFFAOYSA-N 0 0 434.464 1.168 50 0 IDAARN CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccn(Cn2nnc(-c3ccccc3)n2)n1 ZINC000002787693 556139191 /nfs/dbraw/zinc/13/91/91/556139191.db2.gz TUQFAYBLUVUDNG-UHFFFAOYSA-N 0 0 448.491 1.651 50 0 IDAARN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(I)c1 ZINC000097379367 556144075 /nfs/dbraw/zinc/14/40/75/556144075.db2.gz RAVAWLUJURWVGF-VHSXEESVSA-N 0 0 428.317 1.943 50 0 IDAARN Cc1cccn2c1nc1c(cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n1C)c2=O ZINC000002917340 556149103 /nfs/dbraw/zinc/14/91/03/556149103.db2.gz UFOMFSOPMZOXGT-UHFFFAOYSA-N 0 0 439.497 1.115 50 0 aggregator IDAARN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003066322 556187189 /nfs/dbraw/zinc/18/71/89/556187189.db2.gz AJWACSICDGPONH-ROUUACIJSA-N 0 0 428.553 1.717 50 0 IDAARN O=C(CSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1)N1CCOCC1 ZINC000008904022 556231380 /nfs/dbraw/zinc/23/13/80/556231380.db2.gz UVKYDVGLOHTBMI-ZDUSSCGKSA-N 0 0 447.542 1.481 50 0 IDAARN COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)c1 ZINC000008927526 556234655 /nfs/dbraw/zinc/23/46/55/556234655.db2.gz KPVRFNQLGFQXQD-QGZVFWFLSA-N 0 0 440.452 1.932 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009095577 556246472 /nfs/dbraw/zinc/24/64/72/556246472.db2.gz CURIWBFHKPQGTE-UHFFFAOYSA-N 0 0 447.513 1.791 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)Nc1nnc(SCC(=O)N2CCOCC2)s1 ZINC000009226842 556260403 /nfs/dbraw/zinc/26/04/03/556260403.db2.gz JLCYLTUFFJRYCA-UHFFFAOYSA-N 0 0 435.487 1.036 50 0 IDAARN COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000009266556 556270760 /nfs/dbraw/zinc/27/07/60/556270760.db2.gz ZSNRCYYBLBOJPS-HNNXBMFYSA-N 0 0 437.518 1.510 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)NC(=O)N[C@@H]1CC ZINC000032541455 556271441 /nfs/dbraw/zinc/27/14/41/556271441.db2.gz GKYINJJTHZQVNB-QGZVFWFLSA-N 0 0 447.511 1.290 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N=c3[nH]c4ccccc4[nH]3)CC2)cc1 ZINC000013690382 556279652 /nfs/dbraw/zinc/27/96/52/556279652.db2.gz DIESKLLIKAOKOR-UHFFFAOYSA-N 0 0 441.513 1.983 50 0 IDAARN Cn1c(CCNC(=O)[C@H]2COc3ccccc3O2)nc2cc(NS(C)(=O)=O)ccc21 ZINC000013691308 556280667 /nfs/dbraw/zinc/28/06/67/556280667.db2.gz CAWCRBGPNAUEGN-GOSISDBHSA-N 0 0 430.486 1.444 50 0 IDAARN COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccco1 ZINC000013691558 556281076 /nfs/dbraw/zinc/28/10/76/556281076.db2.gz WJKVJQGGLCKYSS-UHFFFAOYSA-N 0 0 428.488 1.469 50 0 IDAARN COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000013691986 556281358 /nfs/dbraw/zinc/28/13/58/556281358.db2.gz QJGWIXSFAFLESZ-AWEZNQCLSA-N 0 0 438.527 1.828 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc3cc(OC)c(OC)cc3n2C)CC1 ZINC000013692697 556282370 /nfs/dbraw/zinc/28/23/70/556282370.db2.gz QQJSVWKPXUMVCW-UHFFFAOYSA-N 0 0 432.477 1.226 50 0 IDAARN COc1cccc(S(=O)(=O)[N-]c2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC3)c2)c1 ZINC000065025319 556302224 /nfs/dbraw/zinc/30/22/24/556302224.db2.gz XNWDZRURWMMTLB-UHFFFAOYSA-N 0 0 445.545 1.537 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000032741565 556303094 /nfs/dbraw/zinc/30/30/94/556303094.db2.gz UOLDBVZVGKTVQT-HNNXBMFYSA-N 0 0 442.559 1.288 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 ZINC000009763396 556308606 /nfs/dbraw/zinc/30/86/06/556308606.db2.gz HQHOJDCECBCHFF-QGZVFWFLSA-N 0 0 436.468 1.475 50 0 IDAARN CC(=O)OC[C@H]1O[C@H](Sc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013804351 556310831 /nfs/dbraw/zinc/31/08/31/556310831.db2.gz JCKOUAWEMPKIAT-SWBPCFCJSA-N 0 0 440.470 1.862 50 0 in-vitro IDAARN COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)NCCc2ccccc2)c1=O ZINC000009831024 556312330 /nfs/dbraw/zinc/31/23/30/556312330.db2.gz VQKMIQRPKNKOEQ-UHFFFAOYSA-N 0 0 444.491 1.974 50 0 IDAARN COC(=O)c1cc(NC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(C(=O)OC)c1 ZINC000009846580 556313400 /nfs/dbraw/zinc/31/34/00/556313400.db2.gz UHJBLJWNUMOYSH-INIZCTEOSA-N 0 0 435.502 1.280 50 0 IDAARN COc1ccc(OC)c(NC(=O)CSc2nnc(-c3nonc3NC(C)=O)n2C)c1 ZINC000009878003 556315046 /nfs/dbraw/zinc/31/50/46/556315046.db2.gz GDDXCNGXKNDNKF-UHFFFAOYSA-N 0 0 433.450 1.572 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000009892345 556315605 /nfs/dbraw/zinc/31/56/05/556315605.db2.gz XCBVKILPRWAUEB-LJQANCHMSA-N 0 0 443.500 1.066 50 0 IDAARN NS(=O)(=O)c1ccc(OCCOC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000032747424 556315909 /nfs/dbraw/zinc/31/59/09/556315909.db2.gz VPKPGKZEZXXJAN-UHFFFAOYSA-N 0 0 440.861 1.908 50 0 IDAARN Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)no1 ZINC000032759802 556320149 /nfs/dbraw/zinc/32/01/49/556320149.db2.gz JRQUHANVXMVXID-KRWDZBQOSA-N 0 0 449.577 1.815 50 0 IDAARN Cc1nc(C(=O)N2CCN(CCNC(=O)c3ccco3)CC2)nn1-c1ccc(F)cc1 ZINC000032760450 556320582 /nfs/dbraw/zinc/32/05/82/556320582.db2.gz QUDWANDRRLLGMQ-UHFFFAOYSA-N 0 0 426.452 1.496 50 0 IDAARN COc1ccc(-c2nnc3[nH]c(=O)n(C)c(=O)c3n2)cc1CSc1nnc(C)s1 ZINC000013855768 556320779 /nfs/dbraw/zinc/32/07/79/556320779.db2.gz FQZPEKCBJHZTCP-UHFFFAOYSA-N 0 0 429.487 1.540 50 0 IDAARN COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1OC ZINC000013856693 556321136 /nfs/dbraw/zinc/32/11/36/556321136.db2.gz BLUZUBMJOJDWIB-OAHLLOKOSA-N 0 0 444.415 1.762 50 0 IDAARN CCOc1cc2c(cc1NC(=O)CCCn1cnc3c1c(=O)n(C)c(=O)n3C)O[C@@H](C)C2 ZINC000032756290 556324627 /nfs/dbraw/zinc/32/46/27/556324627.db2.gz FOHMJODXGJSQLN-ZDUSSCGKSA-N 0 0 441.488 1.575 50 0 IDAARN CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Br)o1 ZINC000010129039 556326866 /nfs/dbraw/zinc/32/68/66/556326866.db2.gz RQMDFFCRHMQBOC-SECBINFHSA-N 0 0 432.296 1.199 50 0 IDAARN Cc1ccc(CNC(=O)c2nnc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)s2)cc1 ZINC000032770483 556334469 /nfs/dbraw/zinc/33/44/69/556334469.db2.gz DVTADUKFBLHKRU-QGZVFWFLSA-N 0 0 429.546 1.600 50 0 IDAARN C[C@H](C(=O)O[C@@H](C)C(=O)N1CCNC1=O)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000032774425 556336635 /nfs/dbraw/zinc/33/66/35/556336635.db2.gz URNYFTCXXJCVHM-SFYZADRCSA-N 0 0 428.228 1.461 50 0 IDAARN Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)[nH]n1 ZINC000011662608 556343951 /nfs/dbraw/zinc/34/39/51/556343951.db2.gz MFJZYDUQZBPPOU-UHFFFAOYSA-N 0 0 435.550 1.640 50 0 IDAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000032780867 556346035 /nfs/dbraw/zinc/34/60/35/556346035.db2.gz RTEWBMURJXZATO-UHFFFAOYSA-N 0 0 429.502 1.698 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000013960143 556347244 /nfs/dbraw/zinc/34/72/44/556347244.db2.gz RMJKSYBDSCQGBI-FVLHSZHDSA-N 0 0 428.539 1.902 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3nnc(-c4ccco4)n3)CC2)c1 ZINC000032788725 556350708 /nfs/dbraw/zinc/35/07/08/556350708.db2.gz NICIWAISDJSVQL-UHFFFAOYSA-N 0 0 430.490 1.083 50 0 IDAARN CC(=O)N1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000011782623 556350935 /nfs/dbraw/zinc/35/09/35/556350935.db2.gz QIWOBIBUQIZTOM-HSZRJFAPSA-N 0 0 429.492 1.846 50 0 IDAARN C[C@@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000032778301 556351092 /nfs/dbraw/zinc/35/10/92/556351092.db2.gz ICVVXMZVYFGXMV-CYBMUJFWSA-N 0 0 442.438 1.583 50 0 IDAARN Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1cc3ccccc3n1C)C2 ZINC000011785438 556353206 /nfs/dbraw/zinc/35/32/06/556353206.db2.gz DBEJVSHLASBIJF-UHFFFAOYSA-N 0 0 441.557 1.976 50 0 IDAARN Cc1nn(C)c(C)c1NC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000014023026 556357031 /nfs/dbraw/zinc/35/70/31/556357031.db2.gz GEEKEFFUHMNCLW-MRXNPFEDSA-N 0 0 437.497 1.084 50 0 IDAARN Cc1cc(N2C[C@H](C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)ccc1Br 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CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1Cl)C(=O)NCCN1CCOCC1 ZINC000032927488 556656292 /nfs/dbraw/zinc/65/62/92/556656292.db2.gz WVWUOKQMPZTTTC-MAUKXSAKSA-N 0 0 431.986 1.790 50 0 IDAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000032927517 556656344 /nfs/dbraw/zinc/65/63/44/556656344.db2.gz GBCWIIKMGBOICL-INIZCTEOSA-N 0 0 430.592 1.525 50 0 IDAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032927515 556656352 /nfs/dbraw/zinc/65/63/52/556656352.db2.gz GBCWIIKMGBOICL-MRXNPFEDSA-N 0 0 430.592 1.525 50 0 IDAARN Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCCN5CCOCC5)CC4)nn32)c1 ZINC000033010154 556657894 /nfs/dbraw/zinc/65/78/94/556657894.db2.gz ZZUICSJUBJWHAD-UHFFFAOYSA-N 0 0 449.559 1.765 50 0 IDAARN O=S(=O)(c1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1)N1CCOCC1 ZINC000017095507 556659021 /nfs/dbraw/zinc/65/90/21/556659021.db2.gz TUVBIHIKQBYFOY-UHFFFAOYSA-N 0 0 427.548 1.243 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1OC ZINC000011858249 556663589 /nfs/dbraw/zinc/66/35/89/556663589.db2.gz VCZBIOOEPBBGAQ-LBPRGKRZSA-N 0 0 440.499 1.817 50 0 IDAARN COC(=O)c1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1 ZINC000011858305 556663929 /nfs/dbraw/zinc/66/39/29/556663929.db2.gz OMJUYIQJKYDHGQ-UHFFFAOYSA-N 0 0 438.483 1.649 50 0 IDAARN CCn1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)n1 ZINC000017102247 556666592 /nfs/dbraw/zinc/66/65/92/556666592.db2.gz SKBZIECTXYCANI-WPNIOXTASA-N 0 0 438.509 1.633 50 0 IDAARN C[C@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017123268 556668687 /nfs/dbraw/zinc/66/86/87/556668687.db2.gz ZNVUNDZVHUEIBW-ZDUSSCGKSA-N 0 0 431.445 1.930 50 0 IDAARN Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC000017135840 556669454 /nfs/dbraw/zinc/66/94/54/556669454.db2.gz QZNHGDFJFDXCQQ-UHFFFAOYSA-N 0 0 439.537 1.977 50 0 IDAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000011904224 556670079 /nfs/dbraw/zinc/67/00/79/556670079.db2.gz 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C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)N1CCC(C)CC1 ZINC000017179765 556671711 /nfs/dbraw/zinc/67/17/11/556671711.db2.gz WXTPTWYKZVNJQD-INIZCTEOSA-N 0 0 426.608 1.757 50 0 IDAARN Cc1cc(C(=O)N2CCOCC2)n(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000011931137 556675846 /nfs/dbraw/zinc/67/58/46/556675846.db2.gz YIILSEPVXQKFCV-UHFFFAOYSA-N 0 0 445.951 1.975 50 0 IDAARN COc1ccccc1C(=O)N1CCN(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000044892491 556675882 /nfs/dbraw/zinc/67/58/82/556675882.db2.gz PICOOSQOHDSKER-UHFFFAOYSA-N 0 0 435.484 1.532 50 0 IDAARN CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000248266182 556678075 /nfs/dbraw/zinc/67/80/75/556678075.db2.gz DWNHDAZTKYKHER-WZZOAWOGSA-N 0 0 442.468 1.431 50 0 IDAARN C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cn1cccn1 ZINC000032935780 556678492 /nfs/dbraw/zinc/67/84/92/556678492.db2.gz RMQMMGWSRLKASH-INIZCTEOSA-N 0 0 426.564 1.672 50 0 IDAARN CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)CC1 ZINC000033325690 556680170 /nfs/dbraw/zinc/68/01/70/556680170.db2.gz ZMQYQNBLKOPMEE-IBGZPJMESA-N 0 0 444.557 1.831 50 0 IDAARN COc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1OC ZINC000012005924 556680378 /nfs/dbraw/zinc/68/03/78/556680378.db2.gz KEGBHZDVQQNIBR-AWEZNQCLSA-N 0 0 432.498 1.989 50 0 biogenic IDAARN CCOC(=O)C1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)CC1 ZINC000012006140 556680388 /nfs/dbraw/zinc/68/03/88/556680388.db2.gz DTXTXKLDLLDMRS-UHFFFAOYSA-N 0 0 428.894 1.822 50 0 IDAARN C[C@H](OC(=O)CCOc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000010623174 556681628 /nfs/dbraw/zinc/68/16/28/556681628.db2.gz LJWRTDVEMUBLKA-SFHVURJKSA-N 0 0 446.525 1.920 50 0 IDAARN COc1ccc(CCC(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1O ZINC000060322409 556684873 /nfs/dbraw/zinc/68/48/73/556684873.db2.gz PQKQQOXUGZAQCC-CYBMUJFWSA-N 0 0 448.497 1.502 50 0 IDAARN NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 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CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)CC1 ZINC000055100327 556734590 /nfs/dbraw/zinc/73/45/90/556734590.db2.gz WVPORVDMSJQSKF-KRWDZBQOSA-N 0 0 440.903 1.470 50 0 IDAARN CC(C)[C@@H](C(=O)OCCOc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000019313153 556735586 /nfs/dbraw/zinc/73/55/86/556735586.db2.gz HIIPTZQQUJBGAF-SFHVURJKSA-N 0 0 446.481 1.577 50 0 IDAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2CCC[C@H](O)C2)c1 ZINC000078875021 556735827 /nfs/dbraw/zinc/73/58/27/556735827.db2.gz ZKUJEARXMSSBPG-OLZOCXBDSA-N 0 0 449.367 1.655 50 0 IDAARN COc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 ZINC000078899424 556736036 /nfs/dbraw/zinc/73/60/36/556736036.db2.gz VKZOQLWQVNOQHQ-RDJZCZTQSA-N 0 0 444.575 1.517 50 0 IDAARN CC(=O)c1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000019433229 556755667 /nfs/dbraw/zinc/75/56/67/556755667.db2.gz DLKSOEZYPAWZMJ-UHFFFAOYSA-N 0 0 437.452 1.928 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)C[C@@H](C)O1 ZINC000058129823 556759952 /nfs/dbraw/zinc/75/99/52/556759952.db2.gz YYVHDBLDQOBFOI-HUUCEWRRSA-N 0 0 440.522 1.199 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)C[C@H](C)O1 ZINC000058129806 556759980 /nfs/dbraw/zinc/75/99/80/556759980.db2.gz YYVHDBLDQOBFOI-GASCZTMLSA-N 0 0 440.522 1.199 50 0 IDAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000061887720 556762125 /nfs/dbraw/zinc/76/21/25/556762125.db2.gz CWWZGMDSTOCJFO-QFIPXVFZSA-N 0 0 442.447 1.560 50 0 IDAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000058154533 556762436 /nfs/dbraw/zinc/76/24/36/556762436.db2.gz QXVYTXGQOYEDCX-ICSRJNTNSA-N 0 0 444.557 1.265 50 0 IDAARN O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)NCc1cccc(C(F)(F)F)c1 ZINC000062006741 556764826 /nfs/dbraw/zinc/76/48/26/556764826.db2.gz PPJRJBREUBPSTN-UHFFFAOYSA-N 0 0 448.405 1.358 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000062022943 556766651 /nfs/dbraw/zinc/76/66/51/556766651.db2.gz VKIAZWPSDGYDIN-AWEZNQCLSA-N 0 0 439.563 1.114 50 0 IDAARN Cn1ccnc1[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)c1ccccc1 ZINC000058289348 556777516 /nfs/dbraw/zinc/77/75/16/556777516.db2.gz CPAGWGKDJJIYQE-FQEVSTJZSA-N 0 0 426.498 1.634 50 0 IDAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1cccc(C(N)=O)c1)C2=O ZINC000058331451 556781625 /nfs/dbraw/zinc/78/16/25/556781625.db2.gz XMNZPRRBYJVRMA-UHFFFAOYSA-N 0 0 428.533 1.971 50 0 IDAARN Cc1ccccc1CN1CCN(C(=O)CN2C[C@H](C(=O)N(C)C)Oc3ccccc32)CC1 ZINC000058407381 556786099 /nfs/dbraw/zinc/78/60/99/556786099.db2.gz CVONZZWPALHWJD-HSZRJFAPSA-N 0 0 436.556 1.995 50 0 IDAARN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 ZINC000059118922 556794829 /nfs/dbraw/zinc/79/48/29/556794829.db2.gz UZUQJUUYGXWYKP-OAHLLOKOSA-N 0 0 442.541 1.912 50 0 IDAARN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCCc2cc(F)cc(F)c21 ZINC000059265569 556796647 /nfs/dbraw/zinc/79/66/47/556796647.db2.gz JETUCSLMXCMXQK-UHFFFAOYSA-N 0 0 435.452 1.678 50 0 IDAARN O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000059363944 556798834 /nfs/dbraw/zinc/79/88/34/556798834.db2.gz ZHMOZKILVPKKFO-UHFFFAOYSA-N 0 0 442.343 1.846 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000002633845 556801242 /nfs/dbraw/zinc/80/12/42/556801242.db2.gz OGFNWZLTLVDUNM-UHFFFAOYSA-N 0 0 426.498 1.700 50 0 IDAARN O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000072401947 556801820 /nfs/dbraw/zinc/80/18/20/556801820.db2.gz HOUYPXNUIGVSSU-CQSZACIVSA-N 0 0 438.531 1.909 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 ZINC000002648940 556802222 /nfs/dbraw/zinc/80/22/22/556802222.db2.gz DQFKGDMMPCMKTN-UHFFFAOYSA-N 0 0 431.445 1.699 50 0 IDAARN Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000003333170 556812543 /nfs/dbraw/zinc/81/25/43/556812543.db2.gz MOQFOHJVYXPQPR-MRXNPFEDSA-N 0 0 436.486 1.673 50 0 IDAARN COCCCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 ZINC000097943774 556813688 /nfs/dbraw/zinc/81/36/88/556813688.db2.gz YZXAQDAZFQGBGM-HXUWFJFHSA-N 0 0 441.532 1.863 50 0 IDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc(-c2cccnc2)nc2ccccc21 ZINC000003386017 556814085 /nfs/dbraw/zinc/81/40/85/556814085.db2.gz JHGNZRLRBYOTKT-MRXNPFEDSA-N 0 0 425.514 1.821 50 0 IDAARN Cc1cccc(N2CCN(CCNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)CC2)c1C ZINC000033068453 556822905 /nfs/dbraw/zinc/82/29/05/556822905.db2.gz BICZNKIEPUITAU-UHFFFAOYSA-N 0 0 449.555 1.255 50 0 IDAARN COC(=O)c1ccccc1NC(=O)C[C@H](C[NH+]1CCN(Cc2cccnc2)CC1)C(=O)[O-] ZINC000072403440 556823454 /nfs/dbraw/zinc/82/34/54/556823454.db2.gz VQALZEFBAJQSMB-GOSISDBHSA-N 0 0 440.500 1.715 50 0 IDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2OC)cc1 ZINC000019589739 556824593 /nfs/dbraw/zinc/82/45/93/556824593.db2.gz SNJKCSZYEBDHDT-UHFFFAOYSA-N 0 0 433.530 1.673 50 0 IDAARN CN1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)CC1 ZINC000019589753 556824672 /nfs/dbraw/zinc/82/46/72/556824672.db2.gz 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CCCCn1c2nc(CN(C)Cc3ccccc3N3CCOCC3)n(C)c2c(=O)[nH]c1=O ZINC000062579967 556835366 /nfs/dbraw/zinc/83/53/66/556835366.db2.gz IRJULRMELHRISV-UHFFFAOYSA-N 0 0 440.548 1.692 50 0 IDAARN COc1ccc(C2(CNC(=O)CCc3nnc4ccc(OC)nn43)CCOCC2)cc1 ZINC000072404608 556836403 /nfs/dbraw/zinc/83/64/03/556836403.db2.gz UNPIKNDVIYMORI-UHFFFAOYSA-N 0 0 425.489 1.939 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000022998109 556838894 /nfs/dbraw/zinc/83/88/94/556838894.db2.gz CGAIZWAZKYJLGF-UHFFFAOYSA-N 0 0 431.514 1.293 50 0 IDAARN O=C([O-])[C@H](CC(=O)Nc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000072405252 556840231 /nfs/dbraw/zinc/84/02/31/556840231.db2.gz YHYZLQMQKNHZFQ-QGZVFWFLSA-N 0 0 426.473 1.658 50 0 IDAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(Cc2ccc(F)cc2)CC1 ZINC000019647270 556840851 /nfs/dbraw/zinc/84/08/51/556840851.db2.gz VHKWUZOUQYMMTB-UHFFFAOYSA-N 0 0 448.520 1.837 50 0 IDAARN Cc1cc(C)n(C(=O)C2CCN(c3ncccc3S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000067172487 556842079 /nfs/dbraw/zinc/84/20/79/556842079.db2.gz RSJBRELOBQWPFE-UHFFFAOYSA-N 0 0 433.534 1.473 50 0 IDAARN Cc1ccc(N2N=C(C(=O)N3CCC4(CC3)OCCO4)S(=O)(=O)c3cccnc32)cc1 ZINC000067244898 556842329 /nfs/dbraw/zinc/84/23/29/556842329.db2.gz IWNVUWKYPLJGSI-UHFFFAOYSA-N 0 0 442.497 1.994 50 0 IDAARN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000067602125 556843572 /nfs/dbraw/zinc/84/35/72/556843572.db2.gz NEYHKMZARIHERK-UHFFFAOYSA-N 0 0 442.585 1.726 50 0 IDAARN COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)CC(C)(C)O2 ZINC000067602152 556843689 /nfs/dbraw/zinc/84/36/89/556843689.db2.gz XPTOIGYSWCAXJZ-KRWDZBQOSA-N 0 0 425.551 1.932 50 0 IDAARN Cc1cc2oc(=O)cc(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c2cc1C ZINC000008748725 556845355 /nfs/dbraw/zinc/84/53/55/556845355.db2.gz XZBLAUAGNAYZRO-OAHLLOKOSA-N 0 0 446.481 1.619 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C1=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000097674645 556847369 /nfs/dbraw/zinc/84/73/69/556847369.db2.gz WAXYGANUMSTPOM-MHWRWJLKSA-N 0 0 436.449 1.530 50 0 IDAARN NC(=O)CSc1ccccc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000096875450 556848079 /nfs/dbraw/zinc/84/80/79/556848079.db2.gz MWRODPRAKYWJQJ-UHFFFAOYSA-N 0 0 430.505 1.800 50 0 IDAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 ZINC000008825304 556849131 /nfs/dbraw/zinc/84/91/31/556849131.db2.gz VVUJIBXKDFNKAW-ZCRIDZFUSA-N 0 0 431.470 1.555 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008843435 556849738 /nfs/dbraw/zinc/84/97/38/556849738.db2.gz CTRANMPOYHMYAR-QJKHOBJASA-N 0 0 426.473 1.671 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)NCc1ccco1 ZINC000008881691 556850437 /nfs/dbraw/zinc/85/04/37/556850437.db2.gz WIGJTIFWTQSFPX-IHVVCDCBSA-N 0 0 441.893 1.670 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008883367 556850746 /nfs/dbraw/zinc/85/07/46/556850746.db2.gz IHVCDVQNXHSOGT-RDTXWAMCSA-N 0 0 447.513 1.659 50 0 IDAARN CCCCN(C(=O)c1ccccc1-n1cnnn1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000008877429 556851517 /nfs/dbraw/zinc/85/15/17/556851517.db2.gz RIQMNTQZQVJXIY-UHFFFAOYSA-N 0 0 426.481 1.342 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)N1CCCCC1 ZINC000033129145 556866146 /nfs/dbraw/zinc/86/61/46/556866146.db2.gz AYCXSTOPCRNSHL-MRXNPFEDSA-N 0 0 434.562 1.944 50 0 IDAARN O=C([C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000019720662 556876269 /nfs/dbraw/zinc/87/62/69/556876269.db2.gz IBCBGPVARROLFZ-HXUWFJFHSA-N 0 0 444.551 1.721 50 0 IDAARN COCCn1c(CN2CCN(c3ncccn3)CC2)cnc1S(=O)(=O)CC(C)(C)C ZINC000019720794 556876305 /nfs/dbraw/zinc/87/63/05/556876305.db2.gz RTKXYCSCAOKSDI-UHFFFAOYSA-N 0 0 436.582 1.462 50 0 IDAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4nc[nH]c(=O)c4s3)C2)cc1OC ZINC000033141066 556876937 /nfs/dbraw/zinc/87/69/37/556876937.db2.gz HBWZAFFAYPDVSN-ZDUSSCGKSA-N 0 0 429.502 1.930 50 0 IDAARN C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(CO)o1)CC2 ZINC000019739744 556878837 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1.982 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)ccc21 ZINC000019819466 556922855 /nfs/dbraw/zinc/92/28/55/556922855.db2.gz BYDORISLGUDQAQ-UHFFFAOYSA-N 0 0 435.527 1.719 50 0 IDAARN O=C(NCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(F)cc1 ZINC000019830878 556926164 /nfs/dbraw/zinc/92/61/64/556926164.db2.gz LRTIFMDBMAOFBZ-UHFFFAOYSA-N 0 0 432.883 1.992 50 0 IDAARN COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccccc3OC)CC2)cc1 ZINC000019831197 556926466 /nfs/dbraw/zinc/92/64/66/556926466.db2.gz CFLLFVZUNLBUIZ-UHFFFAOYSA-N 0 0 440.500 1.217 50 0 IDAARN Cc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000019831458 556926871 /nfs/dbraw/zinc/92/68/71/556926871.db2.gz XOYAQZNFEHOCJD-UHFFFAOYSA-N 0 0 442.947 1.839 50 0 IDAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000019838225 556928788 /nfs/dbraw/zinc/92/87/88/556928788.db2.gz UUACDXCYDBOKTC-LJQANCHMSA-N 0 0 441.532 1.656 50 0 IDAARN O=C(NCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861127 556933718 /nfs/dbraw/zinc/93/37/18/556933718.db2.gz GYSCRJZJWHGPEZ-KRWDZBQOSA-N 0 0 429.970 1.330 50 0 IDAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000019891440 556939463 /nfs/dbraw/zinc/93/94/63/556939463.db2.gz XHINWMJGDYTIFM-QZTJIDSGSA-N 0 0 427.457 1.057 50 0 IDAARN Cc1cccc(Cn2nnc(-c3nnc(SCC(N)=O)n3C[C@H]3CCCO3)c2N)c1 ZINC000019897436 556940610 /nfs/dbraw/zinc/94/06/10/556940610.db2.gz WIYHUCYQKURGME-CQSZACIVSA-N 0 0 428.522 1.232 50 0 IDAARN COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1C(=O)N1CCCCCC1 ZINC000019928858 556946899 /nfs/dbraw/zinc/94/68/99/556946899.db2.gz IQLWIZPLWNAZFR-UHFFFAOYSA-N 0 0 425.551 1.322 50 0 IDAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000019938142 556952275 /nfs/dbraw/zinc/95/22/75/556952275.db2.gz RNCVFLADSZVSPL-OAHLLOKOSA-N 0 0 429.970 1.913 50 0 IDAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccc(F)cc2)cc1 ZINC000019943714 556953789 /nfs/dbraw/zinc/95/37/89/556953789.db2.gz XKKNRMWJQDWYSA-UHFFFAOYSA-N 0 0 435.521 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Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000017638045 557101651 /nfs/dbraw/zinc/10/16/51/557101651.db2.gz WWWWLCSLLIKJAF-ZDUSSCGKSA-N 0 0 429.420 1.994 50 0 IDAARN COc1ccc(OCCN2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 ZINC000023640865 557102149 /nfs/dbraw/zinc/10/21/49/557102149.db2.gz AVLZMFLMPVCTSH-UHFFFAOYSA-N 0 0 430.505 1.083 50 0 IDAARN COC(=O)c1ccc(Cn2nc3ccc(S(=O)(=O)N4CCCCCC4)cn3c2=O)o1 ZINC000049408064 557102873 /nfs/dbraw/zinc/10/28/73/557102873.db2.gz SACHFHJKONACRU-UHFFFAOYSA-N 0 0 434.474 1.489 50 0 IDAARN O=c1n2cc(S(=O)(=O)N3CCOCC3)ccc2nn1Cc1c(F)cccc1Cl ZINC000049408119 557103057 /nfs/dbraw/zinc/10/30/57/557103057.db2.gz HDTGUCVTRLCNQY-UHFFFAOYSA-N 0 0 426.857 1.358 50 0 IDAARN Cc1cc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)nc(C)n1 ZINC000585147352 557104173 /nfs/dbraw/zinc/10/41/73/557104173.db2.gz JBLSMRPDAJEXGZ-SFHVURJKSA-N 0 0 446.529 1.408 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccccc1CN1CCOCC1)C2=O ZINC000023673908 557105421 /nfs/dbraw/zinc/10/54/21/557105421.db2.gz CVZVQAFIRWGZSI-HXOBKFHXSA-N 0 0 428.533 1.636 50 0 IDAARN O=S(=O)(CCOc1ccccc1)NCCN1c2ccccc2N(C2CC2)S1(=O)=O ZINC000585147769 557106663 /nfs/dbraw/zinc/10/66/63/557106663.db2.gz ZGGUPXLKNOKIAU-UHFFFAOYSA-N 0 0 437.543 1.719 50 0 IDAARN CN(C(=O)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000033325380 557107493 /nfs/dbraw/zinc/10/74/93/557107493.db2.gz LGVFNYAPAORADA-STQMWFEESA-N 0 0 443.572 1.230 50 0 IDAARN O=C(c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCC2(CC1)OCCO2 ZINC000033325391 557107548 /nfs/dbraw/zinc/10/75/48/557107548.db2.gz MTNHEGKBAGPGNG-CQSZACIVSA-N 0 0 437.543 1.950 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 ZINC000023702491 557107868 /nfs/dbraw/zinc/10/78/68/557107868.db2.gz DMDUOABJRNCADA-UHFFFAOYSA-N 0 0 435.546 1.668 50 0 IDAARN C[NH+](C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000023212057 557108399 /nfs/dbraw/zinc/10/83/99/557108399.db2.gz STMFZCUBZBZBTH-UHFFFAOYSA-N 0 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NS(=O)(=O)c1ccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1 ZINC000003137338 557112740 /nfs/dbraw/zinc/11/27/40/557112740.db2.gz HKLSQMLFZXEIKL-VIFPVBQESA-N 0 0 437.733 1.402 50 0 IDAARN Cn1cccc1[C@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2)N1CCCC1 ZINC000049512838 557114170 /nfs/dbraw/zinc/11/41/70/557114170.db2.gz ABCQOHQIIYGNCJ-FQEVSTJZSA-N 0 0 435.528 1.752 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000011367877 557114556 /nfs/dbraw/zinc/11/45/56/557114556.db2.gz MRMTXHHLDCJDSV-INIZCTEOSA-N 0 0 427.523 1.494 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)CC1 ZINC000049581167 557116317 /nfs/dbraw/zinc/11/63/17/557116317.db2.gz QDAIGTLKXYJLBB-SFHVURJKSA-N 0 0 441.488 1.368 50 0 IDAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000023797699 557116361 /nfs/dbraw/zinc/11/63/61/557116361.db2.gz KQTXKUFFRISJTE-VQTJNVASSA-N 0 0 437.452 1.287 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000023804950 557116749 /nfs/dbraw/zinc/11/67/49/557116749.db2.gz FGJUSXTYENQZCU-UHFFFAOYSA-N 0 0 430.530 1.297 50 0 IDAARN CCN(CC(=O)NCc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000023805517 557117093 /nfs/dbraw/zinc/11/70/93/557117093.db2.gz LJAIOIFXERQEEQ-OAQYLSRUSA-N 0 0 428.514 1.680 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2I)cc1 ZINC000001182116 557120014 /nfs/dbraw/zinc/12/00/14/557120014.db2.gz LSQUTHAHCNCAJP-UHFFFAOYSA-N 0 0 430.267 1.911 50 0 IDAARN O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000023846573 557120268 /nfs/dbraw/zinc/12/02/68/557120268.db2.gz GMXMFVGZWWJCBB-UHFFFAOYSA-N 0 0 433.486 1.278 50 0 IDAARN Cc1sc2ncnc(SCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1C ZINC000023846676 557120644 /nfs/dbraw/zinc/12/06/44/557120644.db2.gz MHRIFGHRBYXMIW-AWEZNQCLSA-N 0 0 440.616 1.732 50 0 IDAARN O=C(Cn1cnc2sccc2c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000017846329 557125651 /nfs/dbraw/zinc/12/56/51/557125651.db2.gz ZFJCWEFICFLKBM-UHFFFAOYSA-N 0 0 432.527 1.132 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1=O ZINC000023948115 557126813 /nfs/dbraw/zinc/12/68/13/557126813.db2.gz BRBLYGKXWYNOGY-XMMPIXPASA-N 0 0 448.479 1.924 50 0 IDAARN Cc1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000084211189 557127092 /nfs/dbraw/zinc/12/70/92/557127092.db2.gz SREWRJAPXZINPO-GOSISDBHSA-N 0 0 448.541 1.512 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2c3ccccc3OCCC2=O)C1=O ZINC000023948819 557127376 /nfs/dbraw/zinc/12/73/76/557127376.db2.gz LCNYAYJCFRZLJH-HSZRJFAPSA-N 0 0 436.468 1.777 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023995589 557131266 /nfs/dbraw/zinc/13/12/66/557131266.db2.gz REWSPDGTBXWZGN-UHFFFAOYSA-N 0 0 448.545 1.239 50 0 IDAARN CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000024173128 557139301 /nfs/dbraw/zinc/13/93/01/557139301.db2.gz BAVOHPPVJLHHQQ-KRWDZBQOSA-N 0 0 433.482 1.538 50 0 IDAARN CCCn1nc(C(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)c2ccccc2c1=O ZINC000024181605 557139751 /nfs/dbraw/zinc/13/97/51/557139751.db2.gz OPQUNHSSABCVBP-UHFFFAOYSA-N 0 0 427.549 1.869 50 0 IDAARN CCOC(=O)c1[nH]c(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(C(=O)OCC)c1C ZINC000024243066 557141767 /nfs/dbraw/zinc/14/17/67/557141767.db2.gz POBOFUPRRVBIGZ-HNNXBMFYSA-N 0 0 434.537 1.461 50 0 IDAARN CCNC(=O)[C@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000011410625 557142594 /nfs/dbraw/zinc/14/25/94/557142594.db2.gz VXWLCYFCCDCUNO-ZDUSSCGKSA-N 0 0 425.532 1.593 50 0 IDAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c(F)c1 ZINC000024363827 557145326 /nfs/dbraw/zinc/14/53/26/557145326.db2.gz HZUNMOUVNJCDIA-UHFFFAOYSA-N 0 0 446.460 1.069 50 0 IDAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000000712484 557146610 /nfs/dbraw/zinc/14/66/10/557146610.db2.gz NICMUECLWBKVFD-IBGZPJMESA-N 0 0 449.529 1.289 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)C2=COCCO2)ccc1C ZINC000011444864 557148458 /nfs/dbraw/zinc/14/84/58/557148458.db2.gz 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CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000072295273 557161405 /nfs/dbraw/zinc/16/14/05/557161405.db2.gz VYKPFPFLICDJCZ-HXUWFJFHSA-N 0 0 444.509 1.356 50 0 IDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000024749643 557162042 /nfs/dbraw/zinc/16/20/42/557162042.db2.gz NANKTFVJHAGVIM-IYBDPMFKSA-N 0 0 431.580 1.020 50 0 IDAARN COCCn1c(C(=O)N[C@@H]2CCN(c3nccs3)C2)cc2c1nc1ccccn1c2=O ZINC000206812266 557162497 /nfs/dbraw/zinc/16/24/97/557162497.db2.gz HJRMZFPEUWIHRX-CQSZACIVSA-N 0 0 438.513 1.761 50 0 IDAARN CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000024755661 557162949 /nfs/dbraw/zinc/16/29/49/557162949.db2.gz KKAVOJBLRGPULH-UHFFFAOYSA-N 0 0 436.578 1.496 50 0 IDAARN Cc1ccc(SCC(=O)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 ZINC000024760910 557164305 /nfs/dbraw/zinc/16/43/05/557164305.db2.gz SWRJGBQHMKIXPA-UHFFFAOYSA-N 0 0 437.543 1.403 50 0 IDAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000024772040 557165858 /nfs/dbraw/zinc/16/58/58/557165858.db2.gz PEBMWMGXLRROBQ-UHFFFAOYSA-N 0 0 426.498 1.261 50 0 IDAARN O=C(CCCn1c(=O)oc2ccccc21)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024775297 557166647 /nfs/dbraw/zinc/16/66/47/557166647.db2.gz SFFMYNHBBJNWFR-UHFFFAOYSA-N 0 0 433.472 1.699 50 0 IDAARN O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000024802986 557168428 /nfs/dbraw/zinc/16/84/28/557168428.db2.gz LHMBPZQMHSQTDS-WMLDXEAASA-N 0 0 425.938 1.024 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000024928730 557180914 /nfs/dbraw/zinc/18/09/14/557180914.db2.gz SODLDTBFUZSGKN-LSDHHAIUSA-N 0 0 431.352 1.849 50 0 IDAARN COc1ccc(-c2nnc3n(Cc4ccccc4F)c4c(n23)n(C)c(=O)n(C)c4=O)cc1 ZINC000010968963 557183089 /nfs/dbraw/zinc/18/30/89/557183089.db2.gz CMTYGXNAWVQHSG-UHFFFAOYSA-N 0 0 434.431 1.944 50 0 IDAARN CC(C)Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1CCOCC1 ZINC000009327977 557187000 /nfs/dbraw/zinc/18/70/00/557187000.db2.gz HHFZSNHJOHVXLI-UHFFFAOYSA-N 0 0 435.525 1.954 50 0 IDAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 ZINC000025014794 557189740 /nfs/dbraw/zinc/18/97/40/557189740.db2.gz ROIJRGYXSCFVRS-VLIAUNLRSA-N 0 0 447.513 1.752 50 0 IDAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)c1 ZINC000009699345 557191444 /nfs/dbraw/zinc/19/14/44/557191444.db2.gz DASISNSTWNZSRM-UHFFFAOYSA-N 0 0 433.519 1.644 50 0 IDAARN COc1ccc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000025080445 557194861 /nfs/dbraw/zinc/19/48/61/557194861.db2.gz NQLMAUCCNMILJE-IBGZPJMESA-N 0 0 446.525 1.978 50 0 IDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(C(=O)OC)cc1 ZINC000100872970 557195926 /nfs/dbraw/zinc/19/59/26/557195926.db2.gz OJRXVUMVICUUNC-VZCXRCSSSA-N 0 0 449.510 1.524 50 0 IDAARN Cc1nc(NC(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)sc1-c1nccn1C ZINC000025143614 557196544 /nfs/dbraw/zinc/19/65/44/557196544.db2.gz DDQRCLODODBXDL-UHFFFAOYSA-N 0 0 442.505 1.018 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1snnc1C ZINC000100877944 557197943 /nfs/dbraw/zinc/19/79/43/557197943.db2.gz ZRPRLYNOCJCXHD-MSUUIHNZSA-N 0 0 440.528 1.570 50 0 IDAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NC1CCCCC1 ZINC000100890098 557198252 /nfs/dbraw/zinc/19/82/52/557198252.db2.gz CKKCPVMPTBJVLE-UHFFFAOYSA-N 0 0 436.505 1.872 50 0 IDAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CS2 ZINC000025274483 557202154 /nfs/dbraw/zinc/20/21/54/557202154.db2.gz PUTQAIGTRMGAER-CRAIPNDOSA-N 0 0 443.978 1.627 50 0 IDAARN Cn1c(SCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)nnc1-c1ccncc1 ZINC000025320487 557203907 /nfs/dbraw/zinc/20/39/07/557203907.db2.gz CKWXQRYGBOFHGE-IBGZPJMESA-N 0 0 438.557 1.986 50 0 IDAARN CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1=O ZINC000025399336 557208014 /nfs/dbraw/zinc/20/80/14/557208014.db2.gz WNINSBCKWMHIGO-IBGZPJMESA-N 0 0 440.500 1.274 50 0 IDAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)n3c2CCCCC3)no1 ZINC000169764023 557211402 /nfs/dbraw/zinc/21/14/02/557211402.db2.gz QJALMHDBJAOSGN-UHFFFAOYSA-N 0 0 439.428 1.462 50 0 IDAARN Cn1c2nc(N3CCCCCC3)n(C[C@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000000801713 557220049 /nfs/dbraw/zinc/22/00/49/557220049.db2.gz YNARQTRGBVMTCM-INIZCTEOSA-N 0 0 427.505 1.254 50 0 IDAARN CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000025664871 557220695 /nfs/dbraw/zinc/22/06/95/557220695.db2.gz QTKLLDKZZDTARF-VQTJNVASSA-N 0 0 438.484 1.168 50 0 IDAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCOCC2)cc1OC ZINC000000804393 557224322 /nfs/dbraw/zinc/22/43/22/557224322.db2.gz AZIQZANTUYCTMG-LJQANCHMSA-N 0 0 446.525 1.678 50 0 IDAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cn2cncn2)cc1 ZINC000010816267 557224944 /nfs/dbraw/zinc/22/49/44/557224944.db2.gz DEZNXRNFTFYOAS-UHFFFAOYSA-N 0 0 427.486 1.600 50 0 IDAARN Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000025849810 557228416 /nfs/dbraw/zinc/22/84/16/557228416.db2.gz YKADBGNTXCPCOM-MRXNPFEDSA-N 0 0 445.497 1.498 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 ZINC000025857048 557228838 /nfs/dbraw/zinc/22/88/38/557228838.db2.gz LLLZTLNRVDGSDO-HXUWFJFHSA-N 0 0 435.477 1.922 50 0 IDAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000025877133 557229044 /nfs/dbraw/zinc/22/90/44/557229044.db2.gz FVTOTBUXEJYUIP-LJQANCHMSA-N 0 0 439.438 1.860 50 0 IDAARN CN(c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)S(C)(=O)=O ZINC000026052168 557233011 /nfs/dbraw/zinc/23/30/11/557233011.db2.gz SJAJWERVKYZOMI-UHFFFAOYSA-N 0 0 431.514 1.769 50 0 IDAARN O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(N2CCOCC2)cc1 ZINC000018046053 557234639 /nfs/dbraw/zinc/23/46/39/557234639.db2.gz FNCKVBDMJZBDAO-UHFFFAOYSA-N 0 0 436.468 1.874 50 0 IDAARN COc1ccc(OC)c(CN2CCN(C(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)c1 ZINC000018066707 557234964 /nfs/dbraw/zinc/23/49/64/557234964.db2.gz NTCKDMKOVFGFEX-WOJBJXKFSA-N 0 0 441.528 1.689 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)Nc1ccc(F)cc1F ZINC000098213090 557236297 /nfs/dbraw/zinc/23/62/97/557236297.db2.gz PANJETFMQFMSGM-UHFFFAOYSA-N 0 0 431.374 1.757 50 0 IDAARN CCc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 ZINC000098213103 557236301 /nfs/dbraw/zinc/23/63/01/557236301.db2.gz KODFTUTYVBUUJI-UHFFFAOYSA-N 0 0 437.475 1.719 50 0 IDAARN CCc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000098213170 557236570 /nfs/dbraw/zinc/23/65/70/557236570.db2.gz NMLAAVGISYVLCD-UHFFFAOYSA-N 0 0 433.512 1.888 50 0 IDAARN COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 ZINC000098213190 557236616 /nfs/dbraw/zinc/23/66/16/557236616.db2.gz ABFCWIBNIMJEQO-UHFFFAOYSA-N 0 0 439.447 1.165 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)N[C@@H]1CCc2ccccc21 ZINC000098213212 557236638 /nfs/dbraw/zinc/23/66/38/557236638.db2.gz ZFNVBLMEUVLTME-LJQANCHMSA-N 0 0 435.459 1.644 50 0 IDAARN COC(=O)c1cc(C(=O)OC)cc(-n2c(O)cc(SC3=NC(=O)C(C)C(=O)N3)c2O)c1 ZINC000100123123 557241668 /nfs/dbraw/zinc/24/16/68/557241668.db2.gz NUUYRCIAFLIRHB-GFCCVEGCSA-N 0 0 447.425 1.194 50 0 IDAARN Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)OCC(=O)NCC(F)(F)F)c1=O ZINC000026487520 557242605 /nfs/dbraw/zinc/24/26/05/557242605.db2.gz XHCZIWHMNZKABS-UHFFFAOYSA-N 0 0 428.392 1.845 50 0 IDAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)C2=O)cc1 ZINC000100188620 557246735 /nfs/dbraw/zinc/24/67/35/557246735.db2.gz ORRXDXJQSZTCHS-HXUWFJFHSA-N 0 0 443.525 1.553 50 0 IDAARN COc1cccc(OC)c1C(=O)NCc1c2c(c(OC)c3c1CCN(C)C3=O)OCO2 ZINC000604404076 557246962 /nfs/dbraw/zinc/24/69/62/557246962.db2.gz BPKOZIPRHCDDBU-UHFFFAOYSA-N 0 0 428.441 1.999 50 0 biogenic IDAARN CN(C)C(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c2ccccc2O1 ZINC000026870087 557249777 /nfs/dbraw/zinc/24/97/77/557249777.db2.gz OGCXOMWWEXLOLZ-IBGZPJMESA-N 0 0 446.529 1.306 50 0 IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N[C@@H]1CCS(=O)(=O)C1 ZINC000604418882 557250733 /nfs/dbraw/zinc/25/07/33/557250733.db2.gz MFUGPRONNQXILA-BFUOFWGJSA-N 0 0 425.466 1.105 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CCn1nc2ccccn2c1=O ZINC000026907991 557250850 /nfs/dbraw/zinc/25/08/50/557250850.db2.gz YIVOMNRCNOXLFN-OAQYLSRUSA-N 0 0 431.500 1.472 50 0 IDAARN NC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000604419481 557251433 /nfs/dbraw/zinc/25/14/33/557251433.db2.gz DGAYXUZPVPHXLL-IBGZPJMESA-N 0 0 447.476 1.924 50 0 IDAARN NC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n1 ZINC000604419482 557251577 /nfs/dbraw/zinc/25/15/77/557251577.db2.gz DGAYXUZPVPHXLL-LJQANCHMSA-N 0 0 447.476 1.924 50 0 IDAARN COC(=O)c1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000000812722 557253753 /nfs/dbraw/zinc/25/37/53/557253753.db2.gz CYXBLQUWCAUBOD-UHFFFAOYSA-N 0 0 435.845 1.556 50 0 IDAARN O=C(c1ccc(-n2ccnc2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000027049684 557255958 /nfs/dbraw/zinc/25/59/58/557255958.db2.gz LKYHGDKPMZSBOI-UHFFFAOYSA-N 0 0 429.477 1.990 50 0 IDAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)c1 ZINC000027105851 557256981 /nfs/dbraw/zinc/25/69/81/557256981.db2.gz CCHKIWPCQIXJQE-UHFFFAOYSA-N 0 0 444.513 1.795 50 0 IDAARN Cc1cc(C)n2nc(SCC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nc2n1 ZINC000011020046 557257841 /nfs/dbraw/zinc/25/78/41/557257841.db2.gz RKBZXYNBXWEBAH-GJZGRUSLSA-N 0 0 439.563 1.028 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000014000226 557258357 /nfs/dbraw/zinc/25/83/57/557258357.db2.gz FDYPDINVJWTTMB-KRWDZBQOSA-N 0 0 441.532 1.716 50 0 IDAARN CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(-c2ccoc2C)n1N ZINC000027257044 557259442 /nfs/dbraw/zinc/25/94/42/557259442.db2.gz AQIHNLUFRRBXFP-UHFFFAOYSA-N 0 0 434.547 1.879 50 0 IDAARN Cc1ccc(NC(=O)CCNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000101258573 557265158 /nfs/dbraw/zinc/26/51/58/557265158.db2.gz IXNXMPGKKJPONP-WRMBXCAGSA-N 0 0 434.489 1.836 50 0 IDAARN CC(=O)C(Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)=C(C)O ZINC000101403374 557280350 /nfs/dbraw/zinc/28/03/50/557280350.db2.gz JFIZXWHPPRAYAD-UHFFFAOYSA-N 0 0 425.488 1.396 50 0 IDAARN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000101374576 557281048 /nfs/dbraw/zinc/28/10/48/557281048.db2.gz YRRZOAXMZNQRFR-SFHVURJKSA-N 0 0 439.578 1.026 50 0 IDAARN O=C(c1ccc(CN2CCCC2=O)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000014014799 557282323 /nfs/dbraw/zinc/28/23/23/557282323.db2.gz XTIXITURYVQEGY-JOCHJYFZSA-N 0 0 449.507 1.933 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000101405602 557283635 /nfs/dbraw/zinc/28/36/35/557283635.db2.gz YILUCZSTQJXXCA-CALCHBBNSA-N 0 0 446.529 1.661 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000101277793 557285807 /nfs/dbraw/zinc/28/58/07/557285807.db2.gz LUOLYKBLRRPEAM-CVEARBPZSA-N 0 0 428.876 1.941 50 0 IDAARN O=C(c1ccc(CNc2c(=O)c(=O)c2N2CCCC2)cc1)N1CCN(c2ccccn2)CC1 ZINC000101624258 557292826 /nfs/dbraw/zinc/29/28/26/557292826.db2.gz JIPFTOXTHXTYBJ-UHFFFAOYSA-N 0 0 445.523 1.852 50 0 IDAARN Cc1nc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)sc1SCC(N)=O ZINC000031799462 557294047 /nfs/dbraw/zinc/29/40/47/557294047.db2.gz XBXOHSLAQIBIIS-UHFFFAOYSA-N 0 0 445.526 1.917 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCc2ccccc21 ZINC000013117674 557296497 /nfs/dbraw/zinc/29/64/97/557296497.db2.gz XJKQAQSWODOMCE-UHFFFAOYSA-N 0 0 443.525 1.353 50 0 IDAARN Cc1ccc2c(COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc(=O)oc2c1 ZINC000014076576 557299429 /nfs/dbraw/zinc/29/94/29/557299429.db2.gz USRMIIBHHZUEMB-AWEZNQCLSA-N 0 0 432.454 1.310 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2=O)c(OC)c1 ZINC000014084475 557299936 /nfs/dbraw/zinc/29/99/36/557299936.db2.gz IRBNXFLCFIHNST-XUWVNRHRSA-N 0 0 434.489 1.624 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000014167701 557312897 /nfs/dbraw/zinc/31/28/97/557312897.db2.gz DCFHHEPVRAMMQU-AEFFLSMTSA-N 0 0 426.535 1.479 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000014167184 557313090 /nfs/dbraw/zinc/31/30/90/557313090.db2.gz DOAOAZDDPYIAGS-UHFFFAOYSA-N 0 0 443.481 1.810 50 0 IDAARN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000032722656 557315522 /nfs/dbraw/zinc/31/55/22/557315522.db2.gz UKNPDTAIHDDWIS-SNAWJCMRSA-N 0 0 437.972 1.517 50 0 IDAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1C ZINC000102216432 557315597 /nfs/dbraw/zinc/31/55/97/557315597.db2.gz DUBQOIFSALCGIN-JTDSTZFVSA-N 0 0 438.546 1.805 50 0 IDAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCCC[C@H]1C ZINC000102322865 557319031 /nfs/dbraw/zinc/31/90/31/557319031.db2.gz IDRLYBCJLIDUMH-CYBMUJFWSA-N 0 0 436.505 1.824 50 0 IDAARN Cc1c(C)n(-c2cccc(F)c2)c2ncn(CCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c12 ZINC000032999261 557322162 /nfs/dbraw/zinc/32/21/62/557322162.db2.gz YWTKUFCPCCTKOP-INIZCTEOSA-N 0 0 446.504 1.637 50 0 IDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 ZINC000033063690 557323342 /nfs/dbraw/zinc/32/33/42/557323342.db2.gz BKINDVIAKTXTRB-UHFFFAOYSA-N 0 0 429.437 1.431 50 0 IDAARN COc1ccc(CNC(=O)Cn2c3ccccc3nc(CCC(=O)NC3CC3)c2=O)cc1 ZINC000033141619 557325688 /nfs/dbraw/zinc/32/56/88/557325688.db2.gz IYQZKOIMRZRSQD-UHFFFAOYSA-N 0 0 434.496 1.933 50 0 IDAARN CC(C)c1sc(Br)nc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000095473792 557331514 /nfs/dbraw/zinc/33/15/14/557331514.db2.gz KSCOPLBJSZOBLV-UHFFFAOYSA-N 0 0 425.374 1.593 50 0 IDAARN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCNC(N)=O)C2=O)cc1OC ZINC000033497321 557336228 /nfs/dbraw/zinc/33/62/28/557336228.db2.gz HPHFYXCWWRJKDS-RVDMUPIBSA-N 0 0 436.490 1.305 50 0 IDAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023335560 557348286 /nfs/dbraw/zinc/34/82/86/557348286.db2.gz ZKLXKTWAJDPADN-UHFFFAOYSA-N 0 0 438.488 1.589 50 0 IDAARN CCOC(=O)c1ccc(Cn2c(=O)oc3cc(S(=O)(=O)N4CCOCC4)ccc32)o1 ZINC000011689610 557367939 /nfs/dbraw/zinc/36/79/39/557367939.db2.gz BZTUMPDISGATCZ-UHFFFAOYSA-N 0 0 436.442 1.433 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(OC[C@H]3CCCO3)cc1)c(=O)n2C ZINC000023640871 557370546 /nfs/dbraw/zinc/37/05/46/557370546.db2.gz GWZAPPRADJOFLC-QGZVFWFLSA-N 0 0 442.472 1.239 50 0 IDAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(Cc3ccncc3)CC1)C2=O ZINC000023653573 557370595 /nfs/dbraw/zinc/37/05/95/557370595.db2.gz NOHZOGBJXRYYRJ-SBUREZEXSA-N 0 0 427.549 1.863 50 0 IDAARN Cc1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1S(=O)(=O)N1CCOCC1 ZINC000023680895 557371460 /nfs/dbraw/zinc/37/14/60/557371460.db2.gz NOANSSPZFAJTLF-BEFAXECRSA-N 0 0 439.559 1.408 50 0 IDAARN Cc1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1S(=O)(=O)N1CCOCC1 ZINC000023680899 557371524 /nfs/dbraw/zinc/37/15/24/557371524.db2.gz NOANSSPZFAJTLF-HNAYVOBHSA-N 0 0 439.559 1.408 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)NC(=O)NC1 ZINC000018329568 557387174 /nfs/dbraw/zinc/38/71/74/557387174.db2.gz PEPZQMXMCYSSGO-UHFFFAOYSA-N 0 0 430.461 1.604 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000023956447 557388291 /nfs/dbraw/zinc/38/82/91/557388291.db2.gz RBKMEKWUVYUCAV-UHFFFAOYSA-N 0 0 431.558 1.541 50 0 IDAARN CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)NC1=NCCS1 ZINC000013956060 557398013 /nfs/dbraw/zinc/39/80/13/557398013.db2.gz QTHPTPPYBDLJBU-UHFFFAOYSA-N 0 0 436.538 1.721 50 0 IDAARN CC[C@]1(N2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)CCN(S(C)(=O)=O)C1 ZINC000102912560 557411897 /nfs/dbraw/zinc/41/18/97/557411897.db2.gz CBEPXIRTIFKAQL-IBGZPJMESA-N 0 0 437.591 1.710 50 0 IDAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(C(C)C)n3)cc2)CC1 ZINC000408520968 557413268 /nfs/dbraw/zinc/41/32/68/557413268.db2.gz DCWXDNSZRLTUQY-SFHVURJKSA-N 0 0 449.577 1.794 50 0 IDAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccnc(C)n3)cc2)CC1 ZINC000408521060 557413315 /nfs/dbraw/zinc/41/33/15/557413315.db2.gz GRUJDQGOXPNXAS-KRWDZBQOSA-N 0 0 433.534 1.115 50 0 IDAARN CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccn(C(C)C)n3)c2)CC1 ZINC000408521363 557413616 /nfs/dbraw/zinc/41/36/16/557413616.db2.gz QSQLBWOWZIYUPY-GOSISDBHSA-N 0 0 449.577 1.794 50 0 IDAARN CCCCn1c(N)c(N(CCC)C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c(=O)[nH]c1=O ZINC000103019963 557416371 /nfs/dbraw/zinc/41/63/71/557416371.db2.gz FHDBCSNTBQHLHI-GASCZTMLSA-N 0 0 447.536 1.227 50 0 IDAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000103292912 557433514 /nfs/dbraw/zinc/43/35/14/557433514.db2.gz IMSQQRWEFVSMKI-FQEVSTJZSA-N 0 0 445.516 1.502 50 0 IDAARN CCn1c(=O)c2ccccc2n([C@@H](C(=O)NCCN2CCOCC2)c2ccccc2)c1=O ZINC000103467380 557437664 /nfs/dbraw/zinc/43/76/64/557437664.db2.gz DLBKXUSDWYAXRR-OAQYLSRUSA-N 0 0 436.512 1.221 50 0 IDAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000103673417 557440116 /nfs/dbraw/zinc/44/01/16/557440116.db2.gz XLFMQWRYWBHHCP-BMFZPTHFSA-N 0 0 430.892 1.863 50 0 IDAARN COCCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 ZINC000097943772 557453424 /nfs/dbraw/zinc/45/34/24/557453424.db2.gz QGZHXQNABJENEW-LJQANCHMSA-N 0 0 427.505 1.473 50 0 IDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000104727814 557458966 /nfs/dbraw/zinc/45/89/66/557458966.db2.gz ZKJANBXPNILKEK-TXPKVOOTSA-N 0 0 438.546 1.948 50 0 IDAARN C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000105349107 557495793 /nfs/dbraw/zinc/49/57/93/557495793.db2.gz BBRJAESPJYCZMT-NHRZQYMUSA-N 0 0 427.407 1.266 50 0 IDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)N[C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000105377423 557496917 /nfs/dbraw/zinc/49/69/17/557496917.db2.gz JBPHKLSPHJFFQO-XYCWUBKJSA-N 0 0 449.507 1.613 50 0 biogenic IDAARN COc1ccccc1CNC(=O)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031083 557524246 /nfs/dbraw/zinc/52/42/46/557524246.db2.gz RVZSCXOSGFYSSQ-HNNXBMFYSA-N 0 0 441.502 1.725 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000012029847 557524892 /nfs/dbraw/zinc/52/48/92/557524892.db2.gz MQQFXCIQIADXBJ-SFHVURJKSA-N 0 0 436.511 1.858 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000012029839 557524906 /nfs/dbraw/zinc/52/49/06/557524906.db2.gz BQCNGFUKMBXTOO-SFHVURJKSA-N 0 0 436.511 1.858 50 0 IDAARN CCOC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000012029548 557524946 /nfs/dbraw/zinc/52/49/46/557524946.db2.gz WMOUORYYFLPHAB-QGZVFWFLSA-N 0 0 443.543 1.063 50 0 IDAARN Cn1c(=O)cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)n(C)c1=O ZINC000012052266 557525695 /nfs/dbraw/zinc/52/56/95/557525695.db2.gz MCTHFIJPLACOFP-INIZCTEOSA-N 0 0 425.464 1.852 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NCc3cccnc3)cs2)CC1 ZINC000012069802 557526203 /nfs/dbraw/zinc/52/62/03/557526203.db2.gz DRNGHKDQWFSQQI-UHFFFAOYSA-N 0 0 432.506 1.703 50 0 IDAARN O=C(NCc1ccc(F)cc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000012140274 557528042 /nfs/dbraw/zinc/52/80/42/557528042.db2.gz GMINWWYIULECBV-OAHLLOKOSA-N 0 0 441.506 1.057 50 0 IDAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2cc(F)ccc2F)c3=O)c1 ZINC000044837178 557538890 /nfs/dbraw/zinc/53/88/90/557538890.db2.gz ZXDKZZHULFNPFE-UHFFFAOYSA-N 0 0 426.383 1.962 50 0 IDAARN COc1cccc(-c2ccc(=O)n(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000044903749 557540370 /nfs/dbraw/zinc/54/03/70/557540370.db2.gz PTAMTNIUPITWAE-QGZVFWFLSA-N 0 0 433.530 1.591 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC(=O)Nc2cccnc2)C1=O ZINC000045913484 557547256 /nfs/dbraw/zinc/54/72/56/557547256.db2.gz UBPSUDKTNXPZSM-UHFFFAOYSA-N 0 0 444.513 1.365 50 0 IDAARN CCc1ccc(CNC(=O)c2nc(-c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)no2)cc1 ZINC000045946689 557551010 /nfs/dbraw/zinc/55/10/10/557551010.db2.gz MZVMPHPCLRNDLX-UHFFFAOYSA-N 0 0 446.467 1.782 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCCc3ccccc3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946494 557551085 /nfs/dbraw/zinc/55/10/85/557551085.db2.gz WSMHJMZHEXNSGT-UHFFFAOYSA-N 0 0 446.467 1.745 50 0 IDAARN COc1cccc(CNC(=O)c2nc(-c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)no2)c1 ZINC000045946711 557551093 /nfs/dbraw/zinc/55/10/93/557551093.db2.gz RIGDAOGPIYVPBW-UHFFFAOYSA-N 0 0 448.439 1.228 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCc3ccco3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045945908 557554275 /nfs/dbraw/zinc/55/42/75/557554275.db2.gz AOSPOEQCAQHILR-UHFFFAOYSA-N 0 0 426.364 1.126 50 0 IDAARN O=C(Cn1cnc2nc(N3CCOCC3)sc2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000045970388 557557869 /nfs/dbraw/zinc/55/78/69/557557869.db2.gz CPANMSBRWJOBNQ-UHFFFAOYSA-N 0 0 429.458 1.100 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1Cl ZINC000045970356 557557933 /nfs/dbraw/zinc/55/79/33/557557933.db2.gz CRVUDKHOGFMNJU-UHFFFAOYSA-N 0 0 435.893 1.990 50 0 IDAARN O=c1c2nnn(-c3ccc(F)cc3)c2ncn1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000045971104 557558498 /nfs/dbraw/zinc/55/84/98/557558498.db2.gz ZGLVWKBUTIPEJW-UHFFFAOYSA-N 0 0 433.359 1.943 50 0 IDAARN C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2cnn(-c3ccccc3)n2)C1=O ZINC000040127973 557697589 /nfs/dbraw/zinc/69/75/89/557697589.db2.gz GWZGVTBJDRKCGM-HXUWFJFHSA-N 0 0 425.470 1.638 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000225393226 557718080 /nfs/dbraw/zinc/71/80/80/557718080.db2.gz MVNMSHMGGHQQSH-IBGZPJMESA-N 0 0 430.526 1.621 50 0 IDAARN Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000225405825 557719212 /nfs/dbraw/zinc/71/92/12/557719212.db2.gz PGVIDZIUUIQJPF-WNSKOXEYSA-N 0 0 432.365 1.985 50 0 IDAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000225431048 557722411 /nfs/dbraw/zinc/72/24/11/557722411.db2.gz RKNOKEZIUGGFCI-INIZCTEOSA-N 0 0 442.541 1.529 50 0 IDAARN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)N3CCC[C@H]3C(=O)NC)ccc21 ZINC000225468310 557726279 /nfs/dbraw/zinc/72/62/79/557726279.db2.gz MSFYTKLWUAJGKV-SFHVURJKSA-N 0 0 427.505 1.185 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cnn(C)c2Cc2ccccc2)CC1 ZINC000225544392 557739636 /nfs/dbraw/zinc/73/96/36/557739636.db2.gz PCJDMXCKCGVZAU-UHFFFAOYSA-N 0 0 443.529 1.762 50 0 IDAARN CO[C@H]1C[C@H](C(=O)N2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)N(C(C)=O)C1 ZINC000225546801 557740050 /nfs/dbraw/zinc/74/00/50/557740050.db2.gz SUOOVCUVNFONRV-ZYSHUDEJSA-N 0 0 427.505 1.578 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2cccc(OC)c2)c1=O ZINC000040478125 557753273 /nfs/dbraw/zinc/75/32/73/557753273.db2.gz IOXIXSZOYCPXMS-UHFFFAOYSA-N 0 0 448.439 1.470 50 0 IDAARN COC(=O)c1ccccc1N(C)C(=O)COC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC000225664122 557758987 /nfs/dbraw/zinc/75/89/87/557758987.db2.gz FXIPGHHKGOTEOK-HSZRJFAPSA-N 0 0 440.452 1.386 50 0 IDAARN CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)C1CCOCC1 ZINC000225767213 557774768 /nfs/dbraw/zinc/77/47/68/557774768.db2.gz NMVQIZIIXNPQIR-IBGZPJMESA-N 0 0 447.532 1.997 50 0 IDAARN COCCN1CC[C@H](N2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)C1=O ZINC000096310672 557778251 /nfs/dbraw/zinc/77/82/51/557778251.db2.gz FDBVXRRFJOIVJQ-SFHVURJKSA-N 0 0 447.960 1.564 50 0 IDAARN CC(C)(C)CCS(=O)(=O)NCCS(=O)(=O)CCNS(=O)(=O)CCC(C)(C)C ZINC000225829319 557782286 /nfs/dbraw/zinc/78/22/86/557782286.db2.gz CXLGYTUTYWTQLX-UHFFFAOYSA-N 0 0 448.673 1.112 50 0 IDAARN Cc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000018526897 557829298 /nfs/dbraw/zinc/82/92/98/557829298.db2.gz PKFOFVFWSVYDIE-NJAFHUGGSA-N 0 0 438.546 1.327 50 0 IDAARN CC(=O)NC1=NN(C(C)=O)[C@](C)(CS(=O)(=O)c2ccc(Br)cc2)S1 ZINC000000859555 557831540 /nfs/dbraw/zinc/83/15/40/557831540.db2.gz BLZGCWQSLYVNMK-AWEZNQCLSA-N 0 0 434.337 1.941 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCOCCOCC2)C(C)C)cc1 ZINC000000859414 557831589 /nfs/dbraw/zinc/83/15/89/557831589.db2.gz HKUOYGONOPCVPJ-IBGZPJMESA-N 0 0 428.551 1.190 50 0 IDAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 ZINC000000859431 557831606 /nfs/dbraw/zinc/83/16/06/557831606.db2.gz PBFURKMOUOWFGW-ICSRJNTNSA-N 0 0 442.578 1.580 50 0 IDAARN COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000229799989 557833115 /nfs/dbraw/zinc/83/31/15/557833115.db2.gz BZFLVNVYPHVOLG-GRDNDAEWSA-N 0 0 425.507 1.654 50 0 IDAARN O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000240886184 557845746 /nfs/dbraw/zinc/84/57/46/557845746.db2.gz INPLAIZUXHTMNA-RTBURBONSA-N 0 0 445.545 1.776 50 0 IDAARN CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)Cn3ncn4nccc4c3=O)cc2C1 ZINC000242302192 557847498 /nfs/dbraw/zinc/84/74/98/557847498.db2.gz YQHPZHVJVNJQGT-UHFFFAOYSA-N 0 0 440.460 1.659 50 0 IDAARN O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CCC2)CC1 ZINC000242273823 557847572 /nfs/dbraw/zinc/84/75/72/557847572.db2.gz YGBWMRAGSSPGIA-QGZVFWFLSA-N 0 0 427.954 1.426 50 0 IDAARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(O)cc1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccc(O)cc3)C(=O)[C@H]21 ZINC000245231979 557849874 /nfs/dbraw/zinc/84/98/74/557849874.db2.gz NLZXLQPOFRCKRZ-RKGSWTEASA-N 0 0 430.416 1.825 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccccc1 ZINC000003640604 557849879 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NJSGWSPPWVWJHU-XHSDSOJGSA-N 0 0 439.534 1.901 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000025261735 568649580 /nfs/dbraw/zinc/64/95/80/568649580.db2.gz URHQNSLIOMAYBT-HNNXBMFYSA-N 0 0 440.525 1.665 50 0 IDAARN COc1cc(I)c(Cl)cc1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000040073867 568738694 /nfs/dbraw/zinc/73/86/94/568738694.db2.gz OONCYXVRCLLHRT-ZETCQYMHSA-N 0 0 429.663 1.870 50 0 IDAARN COc1ccc(NC(=O)Cc2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2O)cc1 ZINC000001797021 568740249 /nfs/dbraw/zinc/74/02/49/568740249.db2.gz JYUISKHQRPNLNU-HNNXBMFYSA-N 0 0 434.499 1.781 50 0 IDAARN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000031593776 568740677 /nfs/dbraw/zinc/74/06/77/568740677.db2.gz OVUFJGIUGMITOM-FUHWJXTLSA-N 0 0 446.529 1.538 50 0 IDAARN COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2snnc2C)CC1 ZINC000043942201 568743900 /nfs/dbraw/zinc/74/39/00/568743900.db2.gz DGJLEQRKFAUKBI-UHFFFAOYSA-N 0 0 431.518 1.771 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)C2CCN(C(=O)NCc3cccs3)CC2)cc1 ZINC000044227615 568750225 /nfs/dbraw/zinc/75/02/25/568750225.db2.gz FEMHHSNEICELOY-UHFFFAOYSA-N 0 0 436.559 1.634 50 0 IDAARN COc1ccc([C@]2(CC(=O)N3CCN(C4CCCCC4)C(=O)C3)CC(=O)N(C)C2=O)cc1 ZINC000299781458 568757173 /nfs/dbraw/zinc/75/71/73/568757173.db2.gz UFGISHHOFIHKBJ-XMMPIXPASA-N 0 0 441.528 1.715 50 0 IDAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCN(CCO)CC1)C2)c1cccs1 ZINC000299785381 568757428 /nfs/dbraw/zinc/75/74/28/568757428.db2.gz ZCWXBJAURKEANI-GFCCVEGCSA-N 0 0 434.543 1.339 50 0 IDAARN CC(C)CN(C(=O)CN1C[C@@H](C)O[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015350071 568758501 /nfs/dbraw/zinc/75/85/01/568758501.db2.gz IBBJBLZPEMJOFZ-IAGOWNOFSA-N 0 0 443.548 1.265 50 0 IDAARN CC(C)CN(C(=O)CN1C[C@@H](C)O[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015350074 568758540 /nfs/dbraw/zinc/75/85/40/568758540.db2.gz IBBJBLZPEMJOFZ-CALCHBBNSA-N 0 0 443.548 1.265 50 0 IDAARN COc1ccc(-c2cc3n(n2)[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)CNC3=O)cc1 ZINC000263619095 568777818 /nfs/dbraw/zinc/77/78/18/568777818.db2.gz WVXQEWIWPKBQLX-HXUWFJFHSA-N 0 0 441.513 1.280 50 0 IDAARN CN(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 ZINC000223157821 568782174 /nfs/dbraw/zinc/78/21/74/568782174.db2.gz ONKLTQKHTJLPEX-UXHICEINSA-N 0 0 449.504 1.754 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCOc1ccc(F)cc1 ZINC000083967440 568787505 /nfs/dbraw/zinc/78/75/05/568787505.db2.gz AKLGWJFOMCMJFT-CQSZACIVSA-N 0 0 437.493 1.567 50 0 IDAARN CSc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(=O)N1CCCCC1 ZINC000016648059 568790756 /nfs/dbraw/zinc/79/07/56/568790756.db2.gz SYWCTADXQAOTLL-UHFFFAOYSA-N 0 0 425.576 1.921 50 0 IDAARN O=C(COc1cccc(CO)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000084374555 568797638 /nfs/dbraw/zinc/79/76/38/568797638.db2.gz PNZLIOYYQGVUJO-UHFFFAOYSA-N 0 0 440.905 1.871 50 0 IDAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@H]1CCNC(=O)C1 ZINC000084405347 568797713 /nfs/dbraw/zinc/79/77/13/568797713.db2.gz RQMIJJGHYNKKCX-ZDUSSCGKSA-N 0 0 431.470 1.723 50 0 IDAARN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1=O ZINC000084597433 568799246 /nfs/dbraw/zinc/79/92/46/568799246.db2.gz KLFSVEPCDFFRNW-INIZCTEOSA-N 0 0 444.875 1.905 50 0 IDAARN CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccco1 ZINC000015647488 568800925 /nfs/dbraw/zinc/80/09/25/568800925.db2.gz SZESSACVDBXGFC-UHFFFAOYSA-N 0 0 441.893 1.665 50 0 IDAARN COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc(OC)c1 ZINC000015678588 568805226 /nfs/dbraw/zinc/80/52/26/568805226.db2.gz QZUAYAQPQUPJCM-UHFFFAOYSA-N 0 0 431.470 1.805 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000015718235 568811627 /nfs/dbraw/zinc/81/16/27/568811627.db2.gz IXVNDXKDVOKAKG-IAGOWNOFSA-N 0 0 433.530 1.391 50 0 IDAARN CC1=C(C(=O)NC[C@H]2CCCO2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731385 568814899 /nfs/dbraw/zinc/81/48/99/568814899.db2.gz VKGVEPWVZAKMFY-CQSZACIVSA-N 0 0 440.543 1.440 50 0 biogenic IDAARN COc1ccc(OC)c([C@H]2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCCC4)c3)C2)c1 ZINC000015734674 568816480 /nfs/dbraw/zinc/81/64/80/568816480.db2.gz OWZAINDIZVYMNX-INIZCTEOSA-N 0 0 448.545 1.701 50 0 IDAARN O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)N1CCCN(Cc2ccc(F)cc2)C1 ZINC000015734709 568816545 /nfs/dbraw/zinc/81/65/45/568816545.db2.gz KDHQWTCNPUNVES-UHFFFAOYSA-N 0 0 435.525 1.499 50 0 IDAARN CCOc1ccc(CNC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000015766877 568821594 /nfs/dbraw/zinc/82/15/94/568821594.db2.gz FXBKOVQBIWRZSC-UHFFFAOYSA-N 0 0 436.534 1.781 50 0 IDAARN O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccco1)C1CCCCC1 ZINC000015767665 568821855 /nfs/dbraw/zinc/82/18/55/568821855.db2.gz HWEDSEUZBIEESZ-UHFFFAOYSA-N 0 0 436.534 1.859 50 0 IDAARN CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)c3ccccc3)CC1)n2C ZINC000015774980 568823254 /nfs/dbraw/zinc/82/32/54/568823254.db2.gz GCQAKKSMUMDGAP-UHFFFAOYSA-N 0 0 441.557 1.782 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCc1ccccc1 ZINC000015775751 568823460 /nfs/dbraw/zinc/82/34/60/568823460.db2.gz VBFHXTOQKQUUGK-NRFANRHFSA-N 0 0 443.525 1.302 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCCCOC(C)C)N2C(C)=O ZINC000015775984 568823569 /nfs/dbraw/zinc/82/35/69/568823569.db2.gz JEJNIYMGLWLLDN-HXUWFJFHSA-N 0 0 439.578 1.926 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)N1CCOCC1 ZINC000015776066 568823619 /nfs/dbraw/zinc/82/36/19/568823619.db2.gz WGWVDOZTWJUVBX-FQEVSTJZSA-N 0 0 435.546 1.388 50 0 IDAARN COc1cccc(N2CCN(C(=O)CN(C)c3nnc(N4CCCC4=O)s3)CC2)c1 ZINC000015777257 568823791 /nfs/dbraw/zinc/82/37/91/568823791.db2.gz UPYACNNXAVXCQZ-UHFFFAOYSA-N 0 0 430.534 1.459 50 0 IDAARN CCOCCCNC(=O)CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn21 ZINC000015776651 568824032 /nfs/dbraw/zinc/82/40/32/568824032.db2.gz ULELEFGCLSDLMZ-UHFFFAOYSA-N 0 0 426.477 1.941 50 0 IDAARN COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581713 568828327 /nfs/dbraw/zinc/82/83/27/568828327.db2.gz OGPQQOMMWADDFU-UHFFFAOYSA-N 0 0 425.551 1.322 50 0 IDAARN O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000085650921 568831108 /nfs/dbraw/zinc/83/11/08/568831108.db2.gz UIFNVALBHRBCDR-OAHLLOKOSA-N 0 0 431.518 1.685 50 0 IDAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)nc1 ZINC000085650918 568831121 /nfs/dbraw/zinc/83/11/21/568831121.db2.gz QPQWXHWTACWORC-INIZCTEOSA-N 0 0 445.545 1.994 50 0 IDAARN O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000085651010 568831642 /nfs/dbraw/zinc/83/16/42/568831642.db2.gz WPWGQJNLJAHWTH-SFHVURJKSA-N 0 0 444.557 1.968 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)NCCc3nc4cc(C)ccc4[nH]3)CC2)c1 ZINC000085681833 568834192 /nfs/dbraw/zinc/83/41/92/568834192.db2.gz KEPYKUBRSLLZOM-UHFFFAOYSA-N 0 0 444.561 1.847 50 0 IDAARN C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)C1=O ZINC000019821114 568836825 /nfs/dbraw/zinc/83/68/25/568836825.db2.gz STDPNEGAYYCYAB-KRWDZBQOSA-N 0 0 427.526 1.957 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000100099754 568837022 /nfs/dbraw/zinc/83/70/22/568837022.db2.gz FZZILDYXOJRUMI-HDICACEKSA-N 0 0 425.485 1.401 50 0 IDAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000015822236 568840003 /nfs/dbraw/zinc/84/00/03/568840003.db2.gz UTBNAKAYPCIQRV-UHFFFAOYSA-N 0 0 433.486 1.984 50 0 IDAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000015824242 568840414 /nfs/dbraw/zinc/84/04/14/568840414.db2.gz LLYKTGAVWDNIAJ-UHFFFAOYSA-N 0 0 443.489 1.882 50 0 IDAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)O ZINC000025691687 568842572 /nfs/dbraw/zinc/84/25/72/568842572.db2.gz SNFAMLWBYDUMBA-MDASCCDHSA-N 0 0 430.457 1.268 50 0 IDAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)CC1 ZINC000015858239 568846412 /nfs/dbraw/zinc/84/64/12/568846412.db2.gz RTLKODQYODMDDL-UHFFFAOYSA-N 0 0 429.882 1.321 50 0 IDAARN Cc1noc(/C=C/N2CCOCC2)c1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000049539910 568852457 /nfs/dbraw/zinc/85/24/57/568852457.db2.gz PLIVSGFBWRHDMP-VOTSOKGWSA-N 0 0 436.509 1.936 50 0 IDAARN COc1c(C)cnc2c1c(=O)n(CC(=O)N1CCC(Cc3ccccc3)CC1)c(=O)n2C ZINC000015880262 568854302 /nfs/dbraw/zinc/85/43/02/568854302.db2.gz KHJVKTASFJKUJE-UHFFFAOYSA-N 0 0 436.512 1.894 50 0 IDAARN COc1cccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1OC ZINC000015881635 568855893 /nfs/dbraw/zinc/85/58/93/568855893.db2.gz DFJCMZACGVOVMV-UHFFFAOYSA-N 0 0 447.557 1.749 50 0 IDAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1 ZINC000015882007 568856245 /nfs/dbraw/zinc/85/62/45/568856245.db2.gz SXGPOUHRURNDFU-GXTWGEPZSA-N 0 0 428.557 1.736 50 0 IDAARN CCc1cnc2c(c1SCC(=O)Nc1ccc(C(N)=O)cc1)c(=O)n(C)c(=O)n2C ZINC000015883414 568857558 /nfs/dbraw/zinc/85/75/58/568857558.db2.gz RHFODKMFJLBHPL-UHFFFAOYSA-N 0 0 427.486 1.024 50 0 IDAARN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967482 568860603 /nfs/dbraw/zinc/86/06/03/568860603.db2.gz HBCVETSGEQSJJA-XVIHEJCXSA-N 0 0 446.507 1.142 50 0 biogenic IDAARN O=S(=O)(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1Br ZINC000575414440 568860810 /nfs/dbraw/zinc/86/08/10/568860810.db2.gz JMFYXFKFTITIQZ-CYBMUJFWSA-N 0 0 437.381 1.379 50 0 IDAARN CN1c2ccccc2N(C2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)S1(=O)=O ZINC000575414121 568860836 /nfs/dbraw/zinc/86/08/36/568860836.db2.gz LEDHTFJGGWTHLA-UHFFFAOYSA-N 0 0 439.501 1.468 50 0 IDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CO)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968282 568861254 /nfs/dbraw/zinc/86/12/54/568861254.db2.gz LPHFXVHCLFLXOK-PRHHBONVSA-N 0 0 439.899 1.604 50 0 biogenic IDAARN CC1(C)O[C@@H]2O[C@H]([C@@H](O)CNC(=O)c3ccccc3)[C@@H](NC(=O)c3ccccc3)[C@@H]2O1 ZINC000025691937 568862076 /nfs/dbraw/zinc/86/20/76/568862076.db2.gz UEDFTTNMYCEQLI-TZDBLYRBSA-N 0 0 426.469 1.452 50 0 IDAARN O=C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]2CCCC[C@H]12 ZINC000015275981 568867889 /nfs/dbraw/zinc/86/78/89/568867889.db2.gz FYCUCUDXCHKGHM-ZWKOTPCHSA-N 0 0 442.559 1.230 50 0 IDAARN COC(=O)c1cc(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)cc(C(=O)OC)c1 ZINC000016039537 568868405 /nfs/dbraw/zinc/86/84/05/568868405.db2.gz GKTHJSKRLPDPRW-UHFFFAOYSA-N 0 0 438.392 1.897 50 0 IDAARN NC(=O)c1ccccc1NC(=O)COC(=O)CCNC(=O)CCC(=O)c1cccs1 ZINC000016046733 568868853 /nfs/dbraw/zinc/86/88/53/568868853.db2.gz WTRJAMPNCCPKMF-UHFFFAOYSA-N 0 0 431.470 1.498 50 0 IDAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)NCc1ccccc1CN1CCOCC1 ZINC000012946288 568871108 /nfs/dbraw/zinc/87/11/08/568871108.db2.gz YKISJWUMROGKGF-UHFFFAOYSA-N 0 0 426.448 1.791 50 0 IDAARN CC(=O)c1cccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)c1 ZINC000009001511 568877994 /nfs/dbraw/zinc/87/79/94/568877994.db2.gz YHJPSDFSRCLHSU-UHFFFAOYSA-N 0 0 429.436 1.843 50 0 IDAARN O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(C(F)(F)F)nc1 ZINC000575605581 568878062 /nfs/dbraw/zinc/87/80/62/568878062.db2.gz BZZGJPHWUHWYRT-UHFFFAOYSA-N 0 0 437.426 1.652 50 0 IDAARN COc1nc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1 ZINC000575606857 568878201 /nfs/dbraw/zinc/87/82/01/568878201.db2.gz MCUKQEQJKVFGFA-UHFFFAOYSA-N 0 0 428.371 1.937 50 0 IDAARN O=C(C1CN(c2cc(-n3cncn3)ncn2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000575607358 568878222 /nfs/dbraw/zinc/87/82/22/568878222.db2.gz BSOZRJNXZUTQQF-UHFFFAOYSA-N 0 0 442.886 1.635 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NCc3nnc4n3CC[C@H](C(F)(F)F)C4)ccc2N1 ZINC000575609060 568878723 /nfs/dbraw/zinc/87/87/23/568878723.db2.gz XZVPCKHUIXRYCA-NSHDSACASA-N 0 0 429.424 1.766 50 0 IDAARN COc1ccc(CNC(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1OC ZINC000575612355 568879311 /nfs/dbraw/zinc/87/93/11/568879311.db2.gz LYCYVZLTZCLNJY-UHFFFAOYSA-N 0 0 438.481 1.843 50 0 IDAARN COc1ccc(S(=O)(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1Cl ZINC000575613433 568879724 /nfs/dbraw/zinc/87/97/24/568879724.db2.gz RZWMPMQDVYSZHJ-UHFFFAOYSA-N 0 0 449.913 1.967 50 0 IDAARN Cn1cc(-c2ccc(CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)cn2)cn1 ZINC000575616159 568881492 /nfs/dbraw/zinc/88/14/92/568881492.db2.gz JZNIWTVUXZBRQP-UHFFFAOYSA-N 0 0 425.470 1.614 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)N3CCC4(CC3)OCCO4)c(O)c2c1 ZINC000006296569 568882374 /nfs/dbraw/zinc/88/23/74/568882374.db2.gz OELQPJWIYOVZKC-UHFFFAOYSA-N 0 0 449.529 1.538 50 0 IDAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009986055 568884259 /nfs/dbraw/zinc/88/42/59/568884259.db2.gz YPMWFBXUMXGFFH-DHZHZOJOSA-N 0 0 446.481 1.838 50 0 IDAARN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CCO1 ZINC000229886267 568887060 /nfs/dbraw/zinc/88/70/60/568887060.db2.gz RFFVCYOTQMSWQN-QGTPRVQTSA-N 0 0 445.520 1.247 50 0 IDAARN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CCO1 ZINC000229886281 568887146 /nfs/dbraw/zinc/88/71/46/568887146.db2.gz RFFVCYOTQMSWQN-BMGDILEWSA-N 0 0 445.520 1.247 50 0 IDAARN CCOC(=O)[C@H]1CCCN(c2ncc3c(n2)[nH]c(=O)n(Cc2ccccc2F)c3=O)C1 ZINC000090591758 568888441 /nfs/dbraw/zinc/88/84/41/568888441.db2.gz QEOKIUITGBVVQS-AWEZNQCLSA-N 0 0 427.436 1.447 50 0 IDAARN COc1ccccc1-c1cn2nnc(C(=O)NCc3nc4ccccc4n3C)c2c(=O)[nH]1 ZINC000090591893 568888451 /nfs/dbraw/zinc/88/84/51/568888451.db2.gz JDRXIXRDJQJIOK-UHFFFAOYSA-N 0 0 429.440 1.910 50 0 IDAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012972640 568889379 /nfs/dbraw/zinc/88/93/79/568889379.db2.gz NGTHHCFLNWMWRY-ZIAGYGMSSA-N 0 0 445.497 1.756 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccc4)ncn3)CC2)cc1 ZINC000090607852 568890404 /nfs/dbraw/zinc/89/04/04/568890404.db2.gz SHVZSZNQTPQBKO-UHFFFAOYSA-N 0 0 426.502 1.737 50 0 IDAARN Cc1c(NC(=O)[C@H]2COCC(=O)N2Cc2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000090608512 568891102 /nfs/dbraw/zinc/89/11/02/568891102.db2.gz OPMJVAMJAQHTIL-QGZVFWFLSA-N 0 0 426.498 1.912 50 0 IDAARN Cc1cc([C@H](O)CCNC(=O)C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c(C)o1 ZINC000090613512 568892411 /nfs/dbraw/zinc/89/24/11/568892411.db2.gz KMBGFJVNDPQRBW-LJQANCHMSA-N 0 0 449.529 1.787 50 0 IDAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 ZINC000012980465 568893604 /nfs/dbraw/zinc/89/36/04/568893604.db2.gz VFBLZBFVABUTPF-UHFFFAOYSA-N 0 0 432.502 1.366 50 0 IDAARN CC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000012984048 568895416 /nfs/dbraw/zinc/89/54/16/568895416.db2.gz GILKPFBTOVHKRV-GOSISDBHSA-N 0 0 437.518 1.240 50 0 IDAARN C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000013009809 568899904 /nfs/dbraw/zinc/89/99/04/568899904.db2.gz VPEOLPAJLOQGEF-NSHDSACASA-N 0 0 435.333 1.240 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)ccc1Cl ZINC000013010931 568900145 /nfs/dbraw/zinc/90/01/45/568900145.db2.gz SBQWNJRGOLAJIE-MRVPVSSYSA-N 0 0 445.906 1.593 50 0 IDAARN COc1cc(Br)c(S(=O)(=O)N(C)CC(=O)NCC(F)(F)F)cc1OC ZINC000013018695 568902108 /nfs/dbraw/zinc/90/21/08/568902108.db2.gz WYKLZLVURHNMNX-UHFFFAOYSA-N 0 0 449.245 1.765 50 0 IDAARN COc1cc([C@H](CC(=O)NCC(=O)N2CCCC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730816 568904200 /nfs/dbraw/zinc/90/42/00/568904200.db2.gz YKCVLZVXRNJEFI-HNNXBMFYSA-N 0 0 430.457 1.629 50 0 biogenic IDAARN CN1C(=O)[C@@H]2[C@H](C1=O)N1[C@H](c3cccs3)[C@@H]3C(=O)N(C)C(=O)[C@@H]3N1[C@@H]2c1cccs1 ZINC000238936937 568910289 /nfs/dbraw/zinc/91/02/89/568910289.db2.gz SPHHDFIPWOIWAC-KPRKPIBOSA-N 0 0 442.522 1.105 50 0 IDAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccn1)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]12 ZINC000240128351 568911907 /nfs/dbraw/zinc/91/19/07/568911907.db2.gz IQFRIXZUBQWFGI-AONCBYLUSA-N 0 0 426.432 1.450 50 0 IDAARN CC(=O)N[C@@H]1[C@H](Oc2cccc(C)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245225744 568912928 /nfs/dbraw/zinc/91/29/28/568912928.db2.gz LERJREBRRWXADA-VIYGXFRKSA-N 0 0 437.445 1.030 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000245255220 568913651 /nfs/dbraw/zinc/91/36/51/568913651.db2.gz GEUADDACMQBGLF-BZUAXINKSA-N 0 0 444.575 1.083 50 0 IDAARN COCCNC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000245255396 568913683 /nfs/dbraw/zinc/91/36/83/568913683.db2.gz HGRLBDKUJRMARY-ULQDDVLXSA-N 0 0 425.551 1.039 50 0 IDAARN COCCNC(=O)[C@H](C)NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000245257373 568914123 /nfs/dbraw/zinc/91/41/23/568914123.db2.gz YVYIAWMOHAULTK-JYJNAYRXSA-N 0 0 443.541 1.178 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H]3C=CS(=O)(=O)C3)CC2)cc1 ZINC000245257439 568914334 /nfs/dbraw/zinc/91/43/34/568914334.db2.gz ZUCVYEBWIGKQGX-JYJNAYRXSA-N 0 0 442.559 1.207 50 0 IDAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000245327359 568915073 /nfs/dbraw/zinc/91/50/73/568915073.db2.gz OPNZIEVNEBUACP-HXSDUIHRSA-N 0 0 436.306 1.349 50 0 IDAARN CCc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000089280386 568916247 /nfs/dbraw/zinc/91/62/47/568916247.db2.gz DXOOBYGVZZANLD-UHFFFAOYSA-N 0 0 427.530 1.214 50 0 IDAARN CN1CCN(C(=O)Cn2ccc(NC(=O)COc3ccc(Br)cc3)n2)CC1 ZINC000089382580 568921440 /nfs/dbraw/zinc/92/14/40/568921440.db2.gz PWQPQRKUMFRSQY-UHFFFAOYSA-N 0 0 436.310 1.437 50 0 IDAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C ZINC000089502441 568927788 /nfs/dbraw/zinc/92/77/88/568927788.db2.gz HKDAFKFRKQKAGS-UHFFFAOYSA-N 0 0 447.513 1.752 50 0 IDAARN CCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006501223 568927889 /nfs/dbraw/zinc/92/78/89/568927889.db2.gz QBFJTXIMYIRZBY-KRWDZBQOSA-N 0 0 433.486 1.414 50 0 IDAARN O=C(CN1CCN2c3ccccc3C[C@H](C(=O)NCc3cccnc3)[C@@H]2C1)N1CCCC1 ZINC000035869697 568930668 /nfs/dbraw/zinc/93/06/68/568930668.db2.gz LESCKVPLAIWXBW-GMAHTHKFSA-N 0 0 433.556 1.683 50 0 IDAARN Cc1sc2nc(CN3CCOCC3)nc(NC[C@H](Cc3cnn(C)c3)C(N)=O)c2c1C ZINC000089565277 568937612 /nfs/dbraw/zinc/93/76/12/568937612.db2.gz SSDZZMARBXYTRC-INIZCTEOSA-N 0 0 443.577 1.630 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N[C@H](C)c1ccccc1)c(=O)n2C ZINC000064604686 568938900 /nfs/dbraw/zinc/93/89/00/568938900.db2.gz OQXDVOOAOZZPGG-CYBMUJFWSA-N 0 0 436.468 1.637 50 0 IDAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CCC(=O)N[C@H]3CSC[C@H]3O)C2=O)c1 ZINC000054361024 568940718 /nfs/dbraw/zinc/94/07/18/568940718.db2.gz KIWVNOHTHHVOLH-JXDIOVCFSA-N 0 0 438.527 1.723 50 0 IDAARN CCNC(=O)N(CC)CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1 ZINC000036074174 568946250 /nfs/dbraw/zinc/94/62/50/568946250.db2.gz USFSWFYNFBRWQB-UHFFFAOYSA-N 0 0 426.521 1.852 50 0 IDAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)COC ZINC000036083232 568947029 /nfs/dbraw/zinc/94/70/29/568947029.db2.gz ZEJVWLRTMDVJFW-UHFFFAOYSA-N 0 0 429.496 1.816 50 0 IDAARN O=C(c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O)N1CCOCC1 ZINC000036085176 568947838 /nfs/dbraw/zinc/94/78/38/568947838.db2.gz HPYGUBZEFNTWGA-UHFFFAOYSA-N 0 0 428.395 1.193 50 0 IDAARN O=C(c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2F)c1=O)N1CCOCC1 ZINC000036085504 568948026 /nfs/dbraw/zinc/94/80/26/568948026.db2.gz JQGWBIUKWVYRRU-UHFFFAOYSA-N 0 0 428.395 1.193 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036085769 568948161 /nfs/dbraw/zinc/94/81/61/568948161.db2.gz OUIITOZWQWDKSO-UHFFFAOYSA-N 0 0 432.839 1.611 50 0 IDAARN COc1cccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036087674 568949796 /nfs/dbraw/zinc/94/97/96/568949796.db2.gz HSANQPAHZWJRMU-IBGZPJMESA-N 0 0 436.468 1.360 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCOCC3)c(=O)n([C@@H](C)c3ccccc3)c2=O)cc1F ZINC000036089031 568950102 /nfs/dbraw/zinc/95/01/02/568950102.db2.gz IRHYDWYZECIKRK-INIZCTEOSA-N 0 0 438.459 1.923 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3cccc(F)c3)c2=O)cc1 ZINC000036088431 568950466 /nfs/dbraw/zinc/95/04/66/568950466.db2.gz XYIMUTDGLZYOIK-IBGZPJMESA-N 0 0 438.459 1.799 50 0 IDAARN CC[C@H](C(=O)N1CCN(c2ncccn2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776127 568955126 /nfs/dbraw/zinc/95/51/26/568955126.db2.gz DGHGZQNOMOUKIN-GOSISDBHSA-N 0 0 431.500 1.978 50 0 IDAARN CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nnc2c3ccccc3[nH]c2n1 ZINC000008443377 568955772 /nfs/dbraw/zinc/95/57/72/568955772.db2.gz SFDYLLOFQDMMIK-UHFFFAOYSA-N 0 0 438.433 1.521 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2Cl)cn1C ZINC000064818925 568965651 /nfs/dbraw/zinc/96/56/51/568965651.db2.gz IZGWFKLIATZOGF-MRXNPFEDSA-N 0 0 439.921 1.935 50 0 IDAARN CC[C@@H](C)NC(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000036187312 568970357 /nfs/dbraw/zinc/97/03/57/568970357.db2.gz KEYARWKTIRYGHH-OAHLLOKOSA-N 0 0 442.534 1.754 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210235 568974620 /nfs/dbraw/zinc/97/46/20/568974620.db2.gz GUJIKTUVTIKISV-OAQYLSRUSA-N 0 0 433.549 1.841 50 0 IDAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)COC)CC1 ZINC000036211554 568975518 /nfs/dbraw/zinc/97/55/18/568975518.db2.gz OFHNNPYTEHWQEP-XOBRGWDASA-N 0 0 433.505 1.313 50 0 IDAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)NCC(C)C)CC1 ZINC000036214544 568977267 /nfs/dbraw/zinc/97/72/67/568977267.db2.gz PIXILSHYWUQNJM-LJQANCHMSA-N 0 0 448.589 1.892 50 0 IDAARN COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1 ZINC000064887620 568978988 /nfs/dbraw/zinc/97/89/88/568978988.db2.gz YCTCYEHGNSFCMF-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)NCc3ccccc3)c2=O)cc1 ZINC000064887629 568979015 /nfs/dbraw/zinc/97/90/15/568979015.db2.gz UIHCWZPERWFELT-UHFFFAOYSA-N 0 0 431.452 1.327 50 0 IDAARN O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2nccnc21)Nc1ccc2c(c1)OCO2 ZINC000064887689 568979173 /nfs/dbraw/zinc/97/91/73/568979173.db2.gz HOFHEAKSZRNFQM-UHFFFAOYSA-N 0 0 445.435 1.563 50 0 IDAARN CCN(CC)C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)no1 ZINC000064888371 568979500 /nfs/dbraw/zinc/97/95/00/568979500.db2.gz KKGBTRAEHRXQQD-UHFFFAOYSA-N 0 0 432.868 1.436 50 0 IDAARN Cc1ccc(CN2CCN(CC(=O)N3CCN(c4ccccc4F)CC3)C(=O)C2=O)cc1 ZINC000064888674 568979515 /nfs/dbraw/zinc/97/95/15/568979515.db2.gz CWABRQJJURIILB-UHFFFAOYSA-N 0 0 438.503 1.654 50 0 IDAARN Cn1c(=O)c(-c2noc(CCC(=O)N3CCCC3)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888366 568979563 /nfs/dbraw/zinc/97/95/63/568979563.db2.gz MMYJQWUZNUGXPB-UHFFFAOYSA-N 0 0 430.852 1.190 50 0 IDAARN COc1ccc(OC)c(NC(=O)CCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000064889326 568979858 /nfs/dbraw/zinc/97/98/58/568979858.db2.gz DQAGWCWOFQRQOJ-UHFFFAOYSA-N 0 0 433.490 1.728 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3ccc(F)cc3)CC1)OCC(=O)N2 ZINC000064889597 568980377 /nfs/dbraw/zinc/98/03/77/568980377.db2.gz NSIMUPRIVXGIII-UHFFFAOYSA-N 0 0 433.461 1.612 50 0 IDAARN O=C(c1cccs1)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000064889639 568980455 /nfs/dbraw/zinc/98/04/55/568980455.db2.gz NRMWCXADFYAJEM-UHFFFAOYSA-N 0 0 441.918 1.879 50 0 IDAARN CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064889906 568980601 /nfs/dbraw/zinc/98/06/01/568980601.db2.gz SOOSAZRXXQNVAP-UHFFFAOYSA-N 0 0 445.497 1.563 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2NC1=O ZINC000064889985 568980809 /nfs/dbraw/zinc/98/08/09/568980809.db2.gz JDIKUMZZHGIDRE-AWEZNQCLSA-N 0 0 447.488 1.621 50 0 IDAARN COCCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036253103 568984281 /nfs/dbraw/zinc/98/42/81/568984281.db2.gz BCFJGYRDMDVTLU-OAQYLSRUSA-N 0 0 431.533 1.885 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)OCC(=O)N2 ZINC000064920931 568985641 /nfs/dbraw/zinc/98/56/41/568985641.db2.gz MVNGVPJONPKBRS-KRWDZBQOSA-N 0 0 429.498 1.795 50 0 IDAARN C[C@H](Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064921422 568985834 /nfs/dbraw/zinc/98/58/34/568985834.db2.gz LGKSBFQCTMYCKS-CQSZACIVSA-N 0 0 447.513 1.759 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000064929803 568988268 /nfs/dbraw/zinc/98/82/68/568988268.db2.gz UKDARYCHAXDRQU-UHFFFAOYSA-N 0 0 445.520 1.967 50 0 IDAARN CC(C)CN(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(F)c1 ZINC000169678476 568989999 /nfs/dbraw/zinc/98/99/99/568989999.db2.gz VCYVURNTRAITMQ-VXKWHMMOSA-N 0 0 437.556 1.318 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000169681093 568991470 /nfs/dbraw/zinc/99/14/70/568991470.db2.gz SDZRDYBDSHJZLS-UHFFFAOYSA-N 0 0 431.470 1.876 50 0 IDAARN CCS(=O)(=O)Nc1ccc(C)n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O ZINC000169681059 568991535 /nfs/dbraw/zinc/99/15/35/568991535.db2.gz TUBPZZOVDNWEFR-UHFFFAOYSA-N 0 0 436.509 1.406 50 0 IDAARN COc1ccc(CNC(=O)Cn2nc(S(=O)(=O)c3cccc(C)c3)ccc2=O)cc1 ZINC000064943577 568992191 /nfs/dbraw/zinc/99/21/91/568992191.db2.gz CDMQVUJWJNTRMK-UHFFFAOYSA-N 0 0 427.482 1.710 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc(S(=O)(=O)c3cccc(C)c3)ccc2=O)c1 ZINC000064943584 568992332 /nfs/dbraw/zinc/99/23/32/568992332.db2.gz LHIULQKTSPYGPS-UHFFFAOYSA-N 0 0 427.482 1.710 50 0 IDAARN COc1cc(NC(=O)Cn2nc3c4ccc(F)cc4ncn3c2=O)cc(OC)c1OC ZINC000064943969 568993230 /nfs/dbraw/zinc/99/32/30/568993230.db2.gz PHMNKGAOUGGZED-UHFFFAOYSA-N 0 0 427.392 1.848 50 0 IDAARN CCN1C(=O)c2c(C(=O)NC(C)C)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953556 568997582 /nfs/dbraw/zinc/99/75/82/568997582.db2.gz PDGRHQPNTXPNDR-JOCHJYFZSA-N 0 0 427.505 1.581 50 0 IDAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NC3CC3)c2C(=O)N1C1CC1 ZINC000064954106 568997848 /nfs/dbraw/zinc/99/78/48/568997848.db2.gz RQWFIDRFZSCXDN-QFIPXVFZSA-N 0 0 425.464 1.608 50 0 IDAARN COCCNC(=O)[C@]1(C)Cn2cnc(C(=O)Nc3cc(F)ccc3F)c2C(=O)N1C1CC1 ZINC000064954608 568997920 /nfs/dbraw/zinc/99/79/20/568997920.db2.gz QIINRMBFPOBVHE-NRFANRHFSA-N 0 0 447.442 1.553 50 0 IDAARN CCCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000064954805 568998029 /nfs/dbraw/zinc/99/80/29/568998029.db2.gz QILBRXFTLSMCTN-QHCPKHFHSA-N 0 0 439.516 1.725 50 0 IDAARN CCCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000064954808 568998039 /nfs/dbraw/zinc/99/80/39/568998039.db2.gz QILBRXFTLSMCTN-HSZRJFAPSA-N 0 0 439.516 1.725 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000064957974 568999127 /nfs/dbraw/zinc/99/91/27/568999127.db2.gz 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COc1ccccc1N1CCN(S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)CC1 ZINC000064976561 569077165 /nfs/dbraw/zinc/07/71/65/569077165.db2.gz JPLJXXOVBMXPIS-UHFFFAOYSA-N 0 0 430.530 1.705 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)CC(C)C)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000036347177 569081746 /nfs/dbraw/zinc/08/17/46/569081746.db2.gz KXMIMMQGASLGBM-OAQYLSRUSA-N 0 0 433.549 1.841 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036347178 569081755 /nfs/dbraw/zinc/08/17/55/569081755.db2.gz NWANYUBRYTXFSQ-NRFANRHFSA-N 0 0 447.532 1.561 50 0 IDAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1OC ZINC000036358741 569085215 /nfs/dbraw/zinc/08/52/15/569085215.db2.gz UCKXMEKCBVDBCY-AWEZNQCLSA-N 0 0 447.513 1.946 50 0 IDAARN O=C(Cc1ccc2c(c1)OCCCO2)NCCNS(=O)(=O)c1cccc2nsnc21 ZINC000036366748 569087267 /nfs/dbraw/zinc/08/72/67/569087267.db2.gz QJVUJCQMGLQUDO-UHFFFAOYSA-N 0 0 448.526 1.490 50 0 IDAARN CCCCNC(=O)c1cc([N-]S(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025330 569090607 /nfs/dbraw/zinc/09/06/07/569090607.db2.gz LGZGNGBNDBOIIL-UHFFFAOYSA-N 0 0 447.561 1.831 50 0 IDAARN COc1ccccc1NC(=O)NCCn1nnc2cc(S(=O)(=O)NC(C)C)ccc21 ZINC000065029974 569091270 /nfs/dbraw/zinc/09/12/70/569091270.db2.gz AZDZBBCWMZWLFF-UHFFFAOYSA-N 0 0 432.506 1.948 50 0 IDAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000065032505 569091555 /nfs/dbraw/zinc/09/15/55/569091555.db2.gz PGECQJUOPRJASS-CQSZACIVSA-N 0 0 447.538 1.890 50 0 IDAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000065032503 569091608 /nfs/dbraw/zinc/09/16/08/569091608.db2.gz PGECQJUOPRJASS-AWEZNQCLSA-N 0 0 447.538 1.890 50 0 IDAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000065032500 569091627 /nfs/dbraw/zinc/09/16/27/569091627.db2.gz OLXOQCXOYRVCLE-UHFFFAOYSA-N 0 0 433.511 1.745 50 0 IDAARN O=C(CN1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1)Nc1ccccc1Cl ZINC000036386338 569093132 /nfs/dbraw/zinc/09/31/32/569093132.db2.gz XCBUMZQGHCNLBU-UHFFFAOYSA-N 0 0 445.936 1.838 50 0 IDAARN COc1ccc(CNC(=O)Cn2c(=O)c3cnc(-c4ccc(C)cc4)nc3n(C)c2=O)cc1 ZINC000065057199 569095098 /nfs/dbraw/zinc/09/50/98/569095098.db2.gz QOYBQXBNGYLHIL-UHFFFAOYSA-N 0 0 445.479 1.791 50 0 IDAARN CCn1c2nc(-c3ccccc3)ncc2c(=O)n(CC(=O)NCc2ccccc2OC)c1=O ZINC000065057251 569095178 /nfs/dbraw/zinc/09/51/78/569095178.db2.gz DKBZATGLSLDGOM-UHFFFAOYSA-N 0 0 445.479 1.965 50 0 IDAARN CS(=O)(=O)N(CCCNC(=O)c1cncc(Br)c1)Cc1cccnc1 ZINC000036392840 569098315 /nfs/dbraw/zinc/09/83/15/569098315.db2.gz BKYRKGPENDDRME-UHFFFAOYSA-N 0 0 427.324 1.821 50 0 IDAARN O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000036393808 569098632 /nfs/dbraw/zinc/09/86/32/569098632.db2.gz LRQKTNQCGNSCDC-HXUWFJFHSA-N 0 0 444.509 1.983 50 0 IDAARN CCOC(=O)C(NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)OCC ZINC000036395839 569098867 /nfs/dbraw/zinc/09/88/67/569098867.db2.gz ULHDLOOTGZTKSS-LLVKDONJSA-N 0 0 441.278 1.413 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000065075762 569099761 /nfs/dbraw/zinc/09/97/61/569099761.db2.gz QEIKEYMIWVLKFU-UHFFFAOYSA-N 0 0 431.470 1.287 50 0 IDAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21 ZINC000065075743 569099766 /nfs/dbraw/zinc/09/97/66/569099766.db2.gz KKRPZDVWVHAXBU-UHFFFAOYSA-N 0 0 435.889 1.932 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(OC)c4)CC3)cc2oc1=O ZINC000065075840 569099872 /nfs/dbraw/zinc/09/98/72/569099872.db2.gz AICUINYBHBJRCN-UHFFFAOYSA-N 0 0 445.497 1.770 50 0 IDAARN C[C@H]1CN(C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000036398712 569101399 /nfs/dbraw/zinc/10/13/99/569101399.db2.gz WIRATMBBXXVZMW-GJZGRUSLSA-N 0 0 431.986 1.965 50 0 IDAARN Cn1c(=O)c(C(=O)CN2CCN(c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000036408744 569103406 /nfs/dbraw/zinc/10/34/06/569103406.db2.gz LIOAIUGYLUPYTE-UHFFFAOYSA-N 0 0 433.512 1.182 50 0 IDAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000065116581 569107416 /nfs/dbraw/zinc/10/74/16/569107416.db2.gz 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COC(=O)c1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@H](C)C4)nccn3c2=O)cc1 ZINC000065151882 569111515 /nfs/dbraw/zinc/11/15/15/569111515.db2.gz STRDUPLDNQBTPA-GASCZTMLSA-N 0 0 438.488 1.799 50 0 IDAARN COc1ccc(CCNC(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)cc1OC ZINC000006936078 569111936 /nfs/dbraw/zinc/11/19/36/569111936.db2.gz VAJVEGLIVRLDPK-UHFFFAOYSA-N 0 0 425.489 1.696 50 0 IDAARN CC(=O)N1CCc2cc(N3C[C@H](C(=O)N4CCN(c5ccccn5)CC4)CC3=O)ccc21 ZINC000065195166 569115301 /nfs/dbraw/zinc/11/53/01/569115301.db2.gz OBYPUCCJSOSFKQ-LJQANCHMSA-N 0 0 433.512 1.692 50 0 IDAARN CC(=O)N1CCc2cc(N3C[C@@H](C(=O)N4CCN(c5ccccn5)CC4)CC3=O)ccc21 ZINC000065195167 569115304 /nfs/dbraw/zinc/11/53/04/569115304.db2.gz OBYPUCCJSOSFKQ-IBGZPJMESA-N 0 0 433.512 1.692 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000007006656 569117662 /nfs/dbraw/zinc/11/76/62/569117662.db2.gz DODKCGFHOBOXMR-UHFFFAOYSA-N 0 0 427.523 1.068 50 0 IDAARN COc1ccc(S(=O)(=O)N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H](C2)O3)cc1 ZINC000065225190 569117795 /nfs/dbraw/zinc/11/77/95/569117795.db2.gz OVUKGFSXLDZUGW-CALCHBBNSA-N 0 0 438.527 1.158 50 0 IDAARN CCn1nc(C)n2cc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)cc2c1=O ZINC000065247019 569121923 /nfs/dbraw/zinc/12/19/23/569121923.db2.gz JBPGSRRIFXQBJV-UHFFFAOYSA-N 0 0 431.518 1.344 50 0 IDAARN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C1)C(=O)N2C ZINC000065249411 569122043 /nfs/dbraw/zinc/12/20/43/569122043.db2.gz GSPNNAODZMRHSP-NRFANRHFSA-N 0 0 429.498 1.962 50 0 biogenic IDAARN CCOC(=O)C1=C(CSc2nnnn2C)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000036611790 569123654 /nfs/dbraw/zinc/12/36/54/569123654.db2.gz SLFZVIHSXMZMRQ-INIZCTEOSA-N 0 0 448.505 1.329 50 0 IDAARN CCc1nn2c(nc(CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)cc2=O)s1 ZINC000013127965 569125281 /nfs/dbraw/zinc/12/52/81/569125281.db2.gz FPDDGVXNTOOQHV-SECBINFHSA-N 0 0 427.533 1.366 50 0 IDAARN CCn1cc([C@@H]2C(C(=O)Nc3ccc(S(N)(=O)=O)cc3)=C(C)Nc3ncnn32)cn1 ZINC000036621276 569126095 /nfs/dbraw/zinc/12/60/95/569126095.db2.gz NZRPLMMCVUIVHR-MRXNPFEDSA-N 0 0 428.478 1.070 50 0 IDAARN COc1cc([C@@H](CC(=O)N[C@@H]2C=CS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731797 569126558 /nfs/dbraw/zinc/12/65/58/569126558.db2.gz KQRGDAUIDRPQMW-ZIAGYGMSSA-N 0 0 435.454 1.317 50 0 biogenic IDAARN COc1ccc(-c2nc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)n[nH]2)c(OC)c1 ZINC000524735294 569128114 /nfs/dbraw/zinc/12/81/14/569128114.db2.gz OTUNUIXZHGHCJA-HNNXBMFYSA-N 0 0 436.428 1.568 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)CC1 ZINC000065273767 569128242 /nfs/dbraw/zinc/12/82/42/569128242.db2.gz RPSNGWJTEYGNRT-KRWDZBQOSA-N 0 0 448.589 1.718 50 0 IDAARN C=C1C(N2CCC(NC(=O)N[C@@H](C)C(=O)OC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271797 569128619 /nfs/dbraw/zinc/12/86/19/569128619.db2.gz DCDWCUKYEQYFCC-HNNXBMFYSA-N 0 0 448.545 1.793 50 0 IDAARN C=C1C(N2CCCN(C(=O)N[C@@H](C)C(=O)OC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271906 569128686 /nfs/dbraw/zinc/12/86/86/569128686.db2.gz MRIXZJUZIKYIMQ-HNNXBMFYSA-N 0 0 434.518 1.438 50 0 IDAARN C=C1C(N2CCCN(C(=O)NCCC(=O)OC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271901 569128728 /nfs/dbraw/zinc/12/87/28/569128728.db2.gz ZDGWHQAXSDNRGF-UHFFFAOYSA-N 0 0 448.545 1.748 50 0 IDAARN CC[C@]1(N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292225 569130738 /nfs/dbraw/zinc/13/07/38/569130738.db2.gz SPQWXQZZEFCODG-SFHVURJKSA-N 0 0 433.571 1.087 50 0 IDAARN COc1nn(C)cc1C(=O)N1CCN(c2nc3ccc(S(C)(=O)=O)cc3s2)CC1 ZINC000036679031 569132374 /nfs/dbraw/zinc/13/23/74/569132374.db2.gz OTUGGHXSROFRJV-UHFFFAOYSA-N 0 0 435.531 1.404 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)CC1 ZINC000036679015 569132407 /nfs/dbraw/zinc/13/24/07/569132407.db2.gz SXOKZNYTSVPNKJ-UHFFFAOYSA-N 0 0 445.545 1.590 50 0 IDAARN COc1cc(NC(=O)Cn2nc3nc(N4CCCCCC4)ccn3c2=O)cc(OC)c1 ZINC000065307938 569132627 /nfs/dbraw/zinc/13/26/27/569132627.db2.gz CGMMQWSJTALTML-UHFFFAOYSA-N 0 0 426.477 1.927 50 0 IDAARN CCCCn1c2nn(CC(=O)NCc3cccc(OC)c3)c(=O)n2c2ccsc2c1=O ZINC000065305364 569133148 /nfs/dbraw/zinc/13/31/48/569133148.db2.gz QRVACKNIHYMXFF-UHFFFAOYSA-N 0 0 441.513 1.998 50 0 IDAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2ccco2)c1=O)NCc1ccccc1 ZINC000065305501 569133328 /nfs/dbraw/zinc/13/33/28/569133328.db2.gz XPELPRUFYVLGIF-UHFFFAOYSA-N 0 0 435.465 1.830 50 0 IDAARN Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)NCc1ccccc1 ZINC000065319053 569134658 /nfs/dbraw/zinc/13/46/58/569134658.db2.gz JHDKNNJOUMPDHC-UHFFFAOYSA-N 0 0 442.497 1.996 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 ZINC000036708279 569135041 /nfs/dbraw/zinc/13/50/41/569135041.db2.gz CQXHLGOAHBJTHP-UHFFFAOYSA-N 0 0 445.545 1.764 50 0 IDAARN O=C(Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)NCc1nc(-c2ccccc2)no1 ZINC000036709235 569136224 /nfs/dbraw/zinc/13/62/24/569136224.db2.gz LDTLJYSYVCHBDK-UHFFFAOYSA-N 0 0 436.453 1.993 50 0 IDAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000238852932 569137424 /nfs/dbraw/zinc/13/74/24/569137424.db2.gz JQPIOZJGZPNCME-UHFFFAOYSA-N 0 0 448.954 1.167 50 0 IDAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3cc(Br)cs3)CC2)c1 ZINC000238931332 569138018 /nfs/dbraw/zinc/13/80/18/569138018.db2.gz VCMAFTWLDPDQGI-UHFFFAOYSA-N 0 0 433.353 1.781 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)CC ZINC000239306272 569138935 /nfs/dbraw/zinc/13/89/35/569138935.db2.gz GQMGPKYVBVSMLI-WOYTXXSLSA-N 0 0 440.585 1.933 50 0 IDAARN CCc1cccc(OC[C@@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000007425641 569140171 /nfs/dbraw/zinc/14/01/71/569140171.db2.gz MJJPTUMWWWXGOI-INIZCTEOSA-N 0 0 429.521 1.884 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000007425638 569140189 /nfs/dbraw/zinc/14/01/89/569140189.db2.gz MJJPTUMWWWXGOI-MRXNPFEDSA-N 0 0 429.521 1.884 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1C(N)=O ZINC000240067749 569140590 /nfs/dbraw/zinc/14/05/90/569140590.db2.gz SAMOJYQCFUMYDA-MRXNPFEDSA-N 0 0 425.532 1.456 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 ZINC000240122573 569140731 /nfs/dbraw/zinc/14/07/31/569140731.db2.gz WDGKIQDMXQKXJL-UHFFFAOYSA-N 0 0 442.563 1.213 50 0 IDAARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000170591342 569140900 /nfs/dbraw/zinc/14/09/00/569140900.db2.gz RDBYXXUHVXYPFU-SFHVURJKSA-N 0 0 440.585 1.757 50 0 IDAARN COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C(N)=O)cc3)CC2)c(OC)c1 ZINC000170594165 569141398 /nfs/dbraw/zinc/14/13/98/569141398.db2.gz NRXLPWAHLIWSMT-UHFFFAOYSA-N 0 0 441.484 1.603 50 0 IDAARN COCCOCCOCCCNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000170597471 569142047 /nfs/dbraw/zinc/14/20/47/569142047.db2.gz GMUIAHQKSWSDRD-UHFFFAOYSA-N 0 0 440.518 1.558 50 0 IDAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000170601394 569143117 /nfs/dbraw/zinc/14/31/17/569143117.db2.gz BRSBZBBAOYKOBR-WBMJQRKESA-N 0 0 443.504 1.795 50 0 IDAARN COC(=O)[C@@H](CS(=O)(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1 ZINC000170603699 569143586 /nfs/dbraw/zinc/14/35/86/569143586.db2.gz SOHXCDIRPFKHMN-RBUKOAKNSA-N 0 0 436.530 1.838 50 0 IDAARN CNS(=O)(=O)CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000170603574 569143620 /nfs/dbraw/zinc/14/36/20/569143620.db2.gz HSTRDRMRUNYTNO-ZDUSSCGKSA-N 0 0 442.390 1.510 50 0 IDAARN NC(=O)C1=NO[C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C1 ZINC000170605991 569143872 /nfs/dbraw/zinc/14/38/72/569143872.db2.gz HRYQGJQUSUNLDL-SJLPKXTDSA-N 0 0 428.876 1.428 50 0 IDAARN O=C(CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000170608661 569144868 /nfs/dbraw/zinc/14/48/68/569144868.db2.gz CGAQVGJHYGTOIV-LJQANCHMSA-N 0 0 427.888 1.887 50 0 IDAARN CN(CC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000170614602 569146382 /nfs/dbraw/zinc/14/63/82/569146382.db2.gz KRJBVVJCMRLVKJ-PBHICJAKSA-N 0 0 431.961 1.851 50 0 IDAARN CCCCN(C(=O)COC(=O)c1cnc2n1CCCC2)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000170616621 569146692 /nfs/dbraw/zinc/14/66/92/569146692.db2.gz CSSUMYZEESGYEG-UHFFFAOYSA-N 0 0 446.508 1.052 50 0 IDAARN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000010027751 569151778 /nfs/dbraw/zinc/15/17/78/569151778.db2.gz WBHIYPZFXKSNOW-UHFFFAOYSA-N 0 0 445.541 1.981 50 0 IDAARN COCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219858 569152698 /nfs/dbraw/zinc/15/26/98/569152698.db2.gz RCUSYGXVBAEGEW-UHFFFAOYSA-N 0 0 426.882 1.045 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)CSc1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000010217050 569153248 /nfs/dbraw/zinc/15/32/48/569153248.db2.gz SXUIVDHXANOUGJ-UHFFFAOYSA-N 0 0 428.470 1.540 50 0 IDAARN CN1CCN(n2c3c(c(SCC(=O)NCc4ccc(F)cc4)nc2=O)CCC3)CC1 ZINC000010255102 569153937 /nfs/dbraw/zinc/15/39/37/569153937.db2.gz UBXNMPKRIUMZLH-UHFFFAOYSA-N 0 0 431.537 1.163 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)c1 ZINC000010254851 569154320 /nfs/dbraw/zinc/15/43/20/569154320.db2.gz FLEHVORPWWXYAL-UHFFFAOYSA-N 0 0 446.489 1.329 50 0 IDAARN COc1ccc(OC[C@@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000010385367 569154342 /nfs/dbraw/zinc/15/43/42/569154342.db2.gz OWHMZYVPIVCPRD-CABCVRRESA-N 0 0 443.504 1.108 50 0 IDAARN COc1cccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c1OC ZINC000013512886 569155564 /nfs/dbraw/zinc/15/55/64/569155564.db2.gz KNNHQDKCPJYCIU-BOPFTXTBSA-N 0 0 425.441 1.806 50 0 IDAARN CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000014372109 569158807 /nfs/dbraw/zinc/15/88/07/569158807.db2.gz VOAVFOSFYVMPTE-UHFFFAOYSA-N 0 0 425.264 1.729 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000014232633 569158261 /nfs/dbraw/zinc/15/82/61/569158261.db2.gz CGBMZFQYNYXCNW-CJNGLKHVSA-N 0 0 433.486 1.268 50 0 IDAARN O=C(CNC(=O)NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014342922 569158596 /nfs/dbraw/zinc/15/85/96/569158596.db2.gz XDDXBSSXFHOCCL-UHFFFAOYSA-N 0 0 434.493 1.158 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 ZINC000016705905 569159810 /nfs/dbraw/zinc/15/98/10/569159810.db2.gz JEZUMUWWHJROPG-UHFFFAOYSA-N 0 0 431.561 1.342 50 0 IDAARN COc1ccc(CCNC(=O)CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000089624034 569160144 /nfs/dbraw/zinc/16/01/44/569160144.db2.gz FVRJDZJKHWTFAB-UHFFFAOYSA-N 0 0 445.585 1.977 50 0 IDAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@H]4OCCN(C)[C@H]4C3)ccc2C)cc1 ZINC000089651309 569160644 /nfs/dbraw/zinc/16/06/44/569160644.db2.gz DNJALXHLHKTVCD-VQTJNVASSA-N 0 0 445.541 1.959 50 0 IDAARN COc1ccc(N(C[C@@H](O)C[NH2+][C@@H](C)C(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016839611 569163047 /nfs/dbraw/zinc/16/30/47/569163047.db2.gz XIJYLMXKGISIIK-BBRMVZONSA-N 0 0 442.921 1.968 50 0 IDAARN O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N(CCCO)Cc2cccnc2)cc1 ZINC000089793979 569164078 /nfs/dbraw/zinc/16/40/78/569164078.db2.gz MPUIBIICHYTZNM-UHFFFAOYSA-N 0 0 425.532 1.096 50 0 IDAARN CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(C(=O)OCC)c1C ZINC000016847829 569164244 /nfs/dbraw/zinc/16/42/44/569164244.db2.gz RGUXJCHJIFPMDF-NSHDSACASA-N 0 0 432.520 1.772 50 0 IDAARN O=C([C@H](c1ccccc1F)N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000089847741 569165879 /nfs/dbraw/zinc/16/58/79/569165879.db2.gz QECFCUSBLOUNAM-NRFANRHFSA-N 0 0 447.532 1.732 50 0 IDAARN O=S(=O)(c1cccnc1)N1CCN(c2nc3ccccc3nc2N2CCOCC2)CC1 ZINC000089873307 569166590 /nfs/dbraw/zinc/16/65/90/569166590.db2.gz NIIOQZWWSGOMBF-UHFFFAOYSA-N 0 0 440.529 1.372 50 0 IDAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)c(OC)c1 ZINC000089960385 569169099 /nfs/dbraw/zinc/16/90/99/569169099.db2.gz WUAVQJLFSRONQN-CQSZACIVSA-N 0 0 448.563 1.811 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)Nc2ccccc2)CC3)cc1 ZINC000017050819 569171731 /nfs/dbraw/zinc/17/17/31/569171731.db2.gz PQOBDWCHHTZTCJ-UHFFFAOYSA-N 0 0 443.525 1.973 50 0 IDAARN O=C(Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000017150041 569175010 /nfs/dbraw/zinc/17/50/10/569175010.db2.gz DIYZTHWILDLFTQ-UHFFFAOYSA-N 0 0 438.831 1.676 50 0 IDAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N23)cc1OC ZINC000002101603 569179814 /nfs/dbraw/zinc/17/98/14/569179814.db2.gz WLUQOEBTDFZYSH-FDDCHVKYSA-N 0 0 435.480 1.862 50 0 biogenic IDAARN Cc1ccccc1NC(=O)[C@@H](C)NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002126662 569184060 /nfs/dbraw/zinc/18/40/60/569184060.db2.gz SOJAAJNZOAFWND-JCSQCDBKSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN Cc1ccc2c(c1)[C@@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000002129172 569184303 /nfs/dbraw/zinc/18/43/03/569184303.db2.gz YJTFAPLZYSXKBF-HMSHQKHKSA-N 0 0 433.464 1.780 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000002130499 569184922 /nfs/dbraw/zinc/18/49/22/569184922.db2.gz FKWBHSUGFQMCEU-DOGKRZLPSA-N 0 0 433.464 1.780 50 0 biogenic IDAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002134550 569185243 /nfs/dbraw/zinc/18/52/43/569185243.db2.gz JESAKGFQNKXLOS-JCSQCDBKSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN CC[C@H](C)[C@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000252536235 569189898 /nfs/dbraw/zinc/18/98/98/569189898.db2.gz HXIRDDSEBDDGHL-XIRDDKMYSA-N 0 0 435.521 1.675 50 0 IDAARN CSCC[C@@H](NC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)c1nnc2ccccn21 ZINC000252536760 569190050 /nfs/dbraw/zinc/19/00/50/569190050.db2.gz JNJKYJIXLRKEKO-CABCVRRESA-N 0 0 442.501 1.948 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 ZINC000252570433 569191037 /nfs/dbraw/zinc/19/10/37/569191037.db2.gz WTCJKKKDUOSBGS-AZUAARDMSA-N 0 0 425.485 1.472 50 0 IDAARN CC(=O)NCCc1nc2cc(NC(=O)Cn3nc(C)c4ccccc4c3=O)ccc2n1C ZINC000002204522 569192923 /nfs/dbraw/zinc/19/29/23/569192923.db2.gz PDBGJYXSZFTPFN-UHFFFAOYSA-N 0 0 432.484 1.909 50 0 IDAARN O=S1(=O)CC[C@@H](N(Cc2cccs2)Cn2nnn(C[C@H]3CCCO3)c2=S)C1 ZINC000037471610 569197477 /nfs/dbraw/zinc/19/74/77/569197477.db2.gz ZEVGJXSGUSQAAU-ZIAGYGMSSA-N 0 0 429.593 1.696 50 0 IDAARN COCCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3cccc(OC)c3)cc21 ZINC000037519482 569198069 /nfs/dbraw/zinc/19/80/69/569198069.db2.gz NNHZNWWFXZKJKP-UHFFFAOYSA-N 0 0 442.468 1.835 50 0 IDAARN Cc1ccccc1CN1CCCn2nc(C(=O)N(C)CC(=O)N3CCOCC3)cc2C1=O ZINC000037577705 569201447 /nfs/dbraw/zinc/20/14/47/569201447.db2.gz CISLXNTZVPHIHR-UHFFFAOYSA-N 0 0 439.516 1.168 50 0 IDAARN COc1ccc(C(=O)N2CCO[C@@H](CN3CCCN(C(=O)c4ccco4)CC3)C2)cc1 ZINC000037611406 569203007 /nfs/dbraw/zinc/20/30/07/569203007.db2.gz QPZZJSRFZQBPIM-FQEVSTJZSA-N 0 0 427.501 1.977 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H]3[C@H]4C(F)(F)F)cc2)CC1 ZINC000252666128 569209556 /nfs/dbraw/zinc/20/95/56/569209556.db2.gz AOTLZFKNAGUPTO-ULQDDVLXSA-N 0 0 445.463 1.562 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252674573 569210182 /nfs/dbraw/zinc/21/01/82/569210182.db2.gz SIBWRXCIEALYPT-LJQANCHMSA-N 0 0 438.509 1.459 50 0 IDAARN COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C2C(C)=Nc3ccccc3N2[C@H](C(=O)OC)C1 ZINC000019865226 569257063 /nfs/dbraw/zinc/25/70/63/569257063.db2.gz HNILMRLOMWOWBG-HNNXBMFYSA-N 0 0 442.424 1.614 50 0 IDAARN O=C([C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000253370701 569264122 /nfs/dbraw/zinc/26/41/22/569264122.db2.gz UZNMOIMHOJGXHS-NXHRZFHOSA-N 0 0 436.530 1.638 50 0 IDAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 ZINC000253387993 569264206 /nfs/dbraw/zinc/26/42/06/569264206.db2.gz CEVOSYZYPKOCBS-MBOZVWFJSA-N 0 0 442.603 1.773 50 0 IDAARN COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)CC2=O)c1 ZINC000253393224 569264446 /nfs/dbraw/zinc/26/44/46/569264446.db2.gz YOSGCFUUMCMLGT-ZOCZFRKYSA-N 0 0 432.517 1.741 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000253408488 569265560 /nfs/dbraw/zinc/26/55/60/569265560.db2.gz XZQLSTLNWYBNJN-UHFFFAOYSA-N 0 0 448.517 1.400 50 0 IDAARN Cn1c2ccc([C@H](CC(N)=O)c3oc(CN4CCCCC4)cc(=O)c3O)cc2n(C)c1=O ZINC000253415140 569266339 /nfs/dbraw/zinc/26/63/39/569266339.db2.gz ZTECUYUIDJBKCP-INIZCTEOSA-N 0 0 440.500 1.529 50 0 biogenic IDAARN CN(C)Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(OCCn3cccn3)cc2)no1 ZINC000253428531 569267641 /nfs/dbraw/zinc/26/76/41/569267641.db2.gz LNEWOULBQJJBBW-UHFFFAOYSA-N 0 0 434.522 1.620 50 0 IDAARN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@@](O)(c2nc(C(C)C)no2)C1 ZINC000253431816 569268494 /nfs/dbraw/zinc/26/84/94/569268494.db2.gz IDXRIDAJKAGZTB-SFHVURJKSA-N 0 0 433.856 1.564 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NC[C@@H](O)c3ccc4c(c3)OCCO4)cc3c2N1CC3 ZINC000253472828 569282803 /nfs/dbraw/zinc/28/28/03/569282803.db2.gz PSNWMZOQXNBHTQ-QGZVFWFLSA-N 0 0 430.482 1.305 50 0 IDAARN COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1OC ZINC000055088288 569287803 /nfs/dbraw/zinc/28/78/03/569287803.db2.gz ZCXJOXQGUATTLV-KRWDZBQOSA-N 0 0 433.455 1.989 50 0 IDAARN CSCC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000253413964 569289104 /nfs/dbraw/zinc/28/91/04/569289104.db2.gz WCNUTESGURWCEK-PWSUYJOCSA-N 0 0 441.351 1.909 50 0 IDAARN Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000009464139 569296476 /nfs/dbraw/zinc/29/64/76/569296476.db2.gz PBFJDVDUZUUBRL-CMDGGOBGSA-N 0 0 444.465 1.642 50 0 IDAARN CC(C)CNC(=O)NC(=O)COC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000009544617 569297220 /nfs/dbraw/zinc/29/72/20/569297220.db2.gz VTSCDJZBTTZXPT-BOPFTXTBSA-N 0 0 438.444 1.956 50 0 IDAARN COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000009592797 569297460 /nfs/dbraw/zinc/29/74/60/569297460.db2.gz PEBLOMRVAPKRIM-AZWQULSGSA-N 0 0 438.436 1.970 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000002419553 569301868 /nfs/dbraw/zinc/30/18/68/569301868.db2.gz DPJYGCOINDOQIA-CQSZACIVSA-N 0 0 425.445 1.377 50 0 IDAARN O=C(CNC(=O)c1cccs1)NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000012937566 569305073 /nfs/dbraw/zinc/30/50/73/569305073.db2.gz YFHYLVYHAFKJNA-UHFFFAOYSA-N 0 0 428.514 1.015 50 0 IDAARN Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012982520 569305804 /nfs/dbraw/zinc/30/58/04/569305804.db2.gz JGLGIEKWNDRTJI-AWEZNQCLSA-N 0 0 437.474 1.496 50 0 IDAARN COc1cc(C(=O)OCC(=O)N(C(C)C)C(C)C)ccc1OCC(=O)N1CCOCC1 ZINC000013039079 569307812 /nfs/dbraw/zinc/30/78/12/569307812.db2.gz ZPZNWSDNGQKXQZ-UHFFFAOYSA-N 0 0 436.505 1.735 50 0 IDAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 ZINC000013055735 569308279 /nfs/dbraw/zinc/30/82/79/569308279.db2.gz BQLWZFVKMKWVPD-NRFANRHFSA-N 0 0 444.513 1.651 50 0 IDAARN CCOC(=O)N1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000013056827 569308375 /nfs/dbraw/zinc/30/83/75/569308375.db2.gz YZSQRVGQQXWESC-UHFFFAOYSA-N 0 0 438.550 1.574 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013097325 569309728 /nfs/dbraw/zinc/30/97/28/569309728.db2.gz IHVCDVQNXHSOGT-KBXCAEBGSA-N 0 0 447.513 1.659 50 0 IDAARN CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 ZINC000013097965 569309793 /nfs/dbraw/zinc/30/97/93/569309793.db2.gz BZAPPKGTVSCNJC-UHFFFAOYSA-N 0 0 425.532 1.924 50 0 IDAARN O=C(CSC(=S)N1CCCC1)NCCNC(=O)CSC(=S)N1CCCC1 ZINC000013100717 569310002 /nfs/dbraw/zinc/31/00/02/569310002.db2.gz OZKNONNKQHGEEK-UHFFFAOYSA-N 0 0 434.678 1.447 50 0 IDAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000013101332 569310029 /nfs/dbraw/zinc/31/00/29/569310029.db2.gz ORSGVKADGXUYLU-IBGZPJMESA-N 0 0 447.513 1.214 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)N3CCCC3)CC2)cc1 ZINC000013108760 569310257 /nfs/dbraw/zinc/31/02/57/569310257.db2.gz JJURKKFTVXJCJX-UHFFFAOYSA-N 0 0 437.562 1.615 50 0 IDAARN NC(=O)Cn1c(CSc2nnc(NC[C@H]3CCCO3)s2)nc2ccccc2c1=O ZINC000013163636 569312315 /nfs/dbraw/zinc/31/23/15/569312315.db2.gz BTSCSOWIHFRGJY-LLVKDONJSA-N 0 0 432.531 1.617 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(C)cc2)c(=O)n3C)n1CCN1CCOCC1 ZINC000019201006 569316578 /nfs/dbraw/zinc/31/65/78/569316578.db2.gz LVEPOBSQIZVTCD-UHFFFAOYSA-N 0 0 436.516 1.147 50 0 IDAARN CCOC(=O)c1cc(Br)cc(Cl)c1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000078869214 569319406 /nfs/dbraw/zinc/31/94/06/569319406.db2.gz XVFKVUDBTQZQRZ-UHFFFAOYSA-N 0 0 446.641 1.638 50 0 IDAARN CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000078874767 569319565 /nfs/dbraw/zinc/31/95/65/569319565.db2.gz AZXRPQWAEXRIMV-IAGOWNOFSA-N 0 0 445.564 1.800 50 0 IDAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c1 ZINC000078875026 569319576 /nfs/dbraw/zinc/31/95/76/569319576.db2.gz ZKUJEARXMSSBPG-CHWSQXEVSA-N 0 0 449.367 1.655 50 0 IDAARN COC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 ZINC000078878579 569319892 /nfs/dbraw/zinc/31/98/92/569319892.db2.gz VJHCYGXPUVCNNL-LLVKDONJSA-N 0 0 446.323 1.460 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2=O)cc1 ZINC000078879238 569319978 /nfs/dbraw/zinc/31/99/78/569319978.db2.gz ZMICVCUDUSFFLV-WRGVRERRSA-N 0 0 433.461 1.977 50 0 IDAARN CCCCn1c(N)c(N(CC)C(=O)CN2CCOc3ccc(Cl)cc32)c(=O)[nH]c1=O ZINC000078899741 569320124 /nfs/dbraw/zinc/32/01/24/569320124.db2.gz NKLYDEKSGOVXNS-UHFFFAOYSA-N 0 0 435.912 1.824 50 0 IDAARN O=C(c1cc2c(nc3sccn23)s1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000078933981 569320313 /nfs/dbraw/zinc/32/03/13/569320313.db2.gz OOLCNADXTRZOJN-UHFFFAOYSA-N 0 0 437.528 1.886 50 0 IDAARN O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)NCC2(O)CCC3(CC2)OCCO3)C1 ZINC000078968610 569320847 /nfs/dbraw/zinc/32/08/47/569320847.db2.gz VTGVGVPSQXOFCG-IBGZPJMESA-N 0 0 446.544 1.859 50 0 IDAARN CCOC(=O)C1=C(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000078972838 569321053 /nfs/dbraw/zinc/32/10/53/569321053.db2.gz PCSQIPTYKNLCTO-RDJZCZTQSA-N 0 0 435.477 1.493 50 0 IDAARN Cc1cc(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nc(C2CC2)n1 ZINC000079061606 569323924 /nfs/dbraw/zinc/32/39/24/569323924.db2.gz BYCQFDXONHLXNM-UHFFFAOYSA-N 0 0 437.566 1.734 50 0 IDAARN COc1ccc(C[C@@H](CO)CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1O ZINC000079076240 569324695 /nfs/dbraw/zinc/32/46/95/569324695.db2.gz RVCIJMFYTOFEEK-MRXNPFEDSA-N 0 0 441.459 1.975 50 0 IDAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCSC[C@H]2S(C)(=O)=O)C1 ZINC000079093185 569325187 /nfs/dbraw/zinc/32/51/87/569325187.db2.gz JYLUCTRBZZCZHR-JKSUJKDBSA-N 0 0 425.532 1.131 50 0 IDAARN NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000079107469 569325833 /nfs/dbraw/zinc/32/58/33/569325833.db2.gz PMOHWPQDCSACKQ-HNNXBMFYSA-N 0 0 438.406 1.355 50 0 IDAARN COc1cc(OC)cc(C2(O)CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)c1 ZINC000079107115 569325936 /nfs/dbraw/zinc/32/59/36/569325936.db2.gz RJEPAKPBRSORNW-UHFFFAOYSA-N 0 0 438.484 1.709 50 0 IDAARN O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(Cc2ccccc2)CC1 ZINC000019796912 569329525 /nfs/dbraw/zinc/32/95/25/569329525.db2.gz SFXYMDRFADNHID-SFTDATJTSA-N 0 0 434.583 1.444 50 0 IDAARN NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2S1 ZINC000079492104 569331430 /nfs/dbraw/zinc/33/14/30/569331430.db2.gz DICCXHOPHCSSGA-RYRKJORJSA-N 0 0 436.445 1.936 50 0 IDAARN Cc1cc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000079492678 569331435 /nfs/dbraw/zinc/33/14/35/569331435.db2.gz AVMWBNSUSDSIQY-DLBZAZTESA-N 0 0 432.550 1.813 50 0 IDAARN O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000390825819 569353774 /nfs/dbraw/zinc/35/37/74/569353774.db2.gz GMXJFLQAQXTQCA-GOSISDBHSA-N 0 0 434.518 1.725 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)cc1 ZINC000390829586 569354133 /nfs/dbraw/zinc/35/41/33/569354133.db2.gz FHCGVQYXZISZLT-UHFFFAOYSA-N 0 0 447.542 1.581 50 0 IDAARN COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1C(N)=O ZINC000390829316 569354210 /nfs/dbraw/zinc/35/42/10/569354210.db2.gz DNKKHNPRXSYZSI-SFHVURJKSA-N 0 0 438.527 1.345 50 0 IDAARN O=C(c1ccc(N2CCOCC2)cc1)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390831284 569354301 /nfs/dbraw/zinc/35/43/01/569354301.db2.gz QYWJIUYTJJQQKX-UHFFFAOYSA-N 0 0 435.484 1.811 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)C1=O ZINC000390831896 569354375 /nfs/dbraw/zinc/35/43/75/569354375.db2.gz VTYBXLFICNTMDY-UHFFFAOYSA-N 0 0 437.444 1.964 50 0 IDAARN O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000020181836 569355371 /nfs/dbraw/zinc/35/53/71/569355371.db2.gz RGJVBDSUFVVNHN-UHFFFAOYSA-N 0 0 432.521 1.970 50 0 IDAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CCCC3=O)c(C)o2)c1 ZINC000020241961 569358226 /nfs/dbraw/zinc/35/82/26/569358226.db2.gz HILZIENYRWFHRF-UHFFFAOYSA-N 0 0 449.529 1.702 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000020281176 569358768 /nfs/dbraw/zinc/35/87/68/569358768.db2.gz NWZZTWGHCFMLRS-CQSZACIVSA-N 0 0 446.510 1.890 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000020287755 569359345 /nfs/dbraw/zinc/35/93/45/569359345.db2.gz TWTGTJWPBCWVED-OXQOHEQNSA-N 0 0 430.574 1.866 50 0 IDAARN CN(Cc1ccco1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000020327481 569360473 /nfs/dbraw/zinc/36/04/73/569360473.db2.gz GLSOYOLUMYUVGM-AWEZNQCLSA-N 0 0 433.486 1.784 50 0 IDAARN CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000020327531 569360581 /nfs/dbraw/zinc/36/05/81/569360581.db2.gz NKTJLXHNHYJXRG-UHFFFAOYSA-N 0 0 444.513 1.107 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c2[C@H]1c1ccccc1 ZINC000020356404 569361381 /nfs/dbraw/zinc/36/13/81/569361381.db2.gz ITVKXAMCBAQZBZ-GOSISDBHSA-N 0 0 425.485 1.357 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(CC[C@H](O)c3ccccc3)c1)c(=O)n2C ZINC000095348886 569361622 /nfs/dbraw/zinc/36/16/22/569361622.db2.gz XWQOMRMHZRJYMM-IBGZPJMESA-N 0 0 447.495 1.739 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)n(C)c1 ZINC000095348787 569361694 /nfs/dbraw/zinc/36/16/94/569361694.db2.gz TXMYEACBJCOTBC-IBGZPJMESA-N 0 0 433.530 1.796 50 0 IDAARN O=C(CN1CCN(C(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1)Nc1ccc(F)cc1 ZINC000095352950 569362179 /nfs/dbraw/zinc/36/21/79/569362179.db2.gz SUMKPUWFAHJUCZ-RTBURBONSA-N 0 0 442.491 1.250 50 0 IDAARN Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccn(CC(=O)N3CCN(C)CC3)n2)C(C)C)cc1 ZINC000095399036 569363679 /nfs/dbraw/zinc/36/36/79/569363679.db2.gz WXTYTYYIBBOMRT-NRFANRHFSA-N 0 0 440.548 1.359 50 0 IDAARN Cc1c2cnn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000020417236 569364933 /nfs/dbraw/zinc/36/49/33/569364933.db2.gz DWAZQNZQUYVPQP-UHFFFAOYSA-N 0 0 439.491 1.726 50 0 IDAARN CC1(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CCOCC1 ZINC000095409525 569365167 /nfs/dbraw/zinc/36/51/67/569365167.db2.gz PHJGCHQUPVNQDQ-QGZVFWFLSA-N 0 0 426.535 1.649 50 0 IDAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1F ZINC000020436580 569365417 /nfs/dbraw/zinc/36/54/17/569365417.db2.gz FLXDPWVWDIYFFK-UHFFFAOYSA-N 0 0 433.461 1.487 50 0 IDAARN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2C[C@H](C)Oc3ncccc32)cc1 ZINC000095433547 569366485 /nfs/dbraw/zinc/36/64/85/569366485.db2.gz 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O=C(NCCN1CCOCC1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095478035 569373380 /nfs/dbraw/zinc/37/33/80/569373380.db2.gz XKGFODKDPVMJSW-LBPRGKRZSA-N 0 0 436.310 1.127 50 0 IDAARN CN(C)C(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000095947884 569376455 /nfs/dbraw/zinc/37/64/55/569376455.db2.gz CRUXWFYXTKGDOZ-IBGZPJMESA-N 0 0 443.548 1.195 50 0 IDAARN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCNC(=O)c2ccc(C)cc2O)cc1 ZINC000095952841 569376712 /nfs/dbraw/zinc/37/67/12/569376712.db2.gz LBNXSLGNIAFZDV-UHFFFAOYSA-N 0 0 441.484 1.769 50 0 IDAARN COC(=O)[C@H](CNC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)Cc1ccc(O)cc1 ZINC000095963140 569377218 /nfs/dbraw/zinc/37/72/18/569377218.db2.gz DWOFOFSDMONIKW-SJORKVTESA-N 0 0 439.468 1.751 50 0 IDAARN O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000095963760 569377268 /nfs/dbraw/zinc/37/72/68/569377268.db2.gz XEMJYPJJSUUHSN-UHFFFAOYSA-N 0 0 430.427 1.000 50 0 IDAARN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 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O=C(/C=C\c1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000096189851 569386213 /nfs/dbraw/zinc/38/62/13/569386213.db2.gz YSVONJXWRUZMKI-OABSHCPFSA-N 0 0 431.558 1.360 50 0 IDAARN CSCC[C@@H]1NC(=O)c2cc(NC(=O)c3ccc(-n4cnnn4)cc3)ccc2NC1=O ZINC000096221601 569387013 /nfs/dbraw/zinc/38/70/13/569387013.db2.gz AXAHJPXJIPISEN-KRWDZBQOSA-N 0 0 437.485 1.718 50 0 biogenic IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCc1nnc2ccccn21 ZINC000096223949 569387353 /nfs/dbraw/zinc/38/73/53/569387353.db2.gz CGGAJCLVLVIBTJ-HNNXBMFYSA-N 0 0 426.864 1.900 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000096232380 569387750 /nfs/dbraw/zinc/38/77/50/569387750.db2.gz UJJLCZHEZBALAC-IBGZPJMESA-N 0 0 435.484 1.783 50 0 IDAARN COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1OC ZINC000096232860 569387858 /nfs/dbraw/zinc/38/78/58/569387858.db2.gz KUHLTZUFPXKJTP-VQHVLOKHSA-N 0 0 448.545 1.600 50 0 IDAARN COCCN1CC[C@H](N2CCCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)C1=O ZINC000096310670 569392639 /nfs/dbraw/zinc/39/26/39/569392639.db2.gz ISXHQEKIASMXQT-KRWDZBQOSA-N 0 0 429.439 1.980 50 0 IDAARN CCN1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccc(OC)cc3)c2=O)CC1 ZINC000096318166 569393739 /nfs/dbraw/zinc/39/37/39/569393739.db2.gz OTEWLURFPBAUQO-UHFFFAOYSA-N 0 0 436.512 1.634 50 0 IDAARN CCc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)N2CCN(C(C)=O)CC2)c1=O ZINC000096318248 569393775 /nfs/dbraw/zinc/39/37/75/569393775.db2.gz HTPMRQJBNUNDII-UHFFFAOYSA-N 0 0 448.523 1.714 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4C)no2)cc1 ZINC000096320592 569394103 /nfs/dbraw/zinc/39/41/03/569394103.db2.gz BFNBENLJAXPSTC-LBPRGKRZSA-N 0 0 441.469 1.625 50 0 IDAARN CCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000096398520 569399719 /nfs/dbraw/zinc/39/97/19/569399719.db2.gz YAFMGIVHTDAQBR-UHFFFAOYSA-N 0 0 441.351 1.956 50 0 IDAARN CCOC(=O)[C@@H](CNC(=O)CNC(=O)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000096581696 569401644 /nfs/dbraw/zinc/40/16/44/569401644.db2.gz 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O=C1CCCN1Cc1cn(C2CN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)nn1 ZINC000225633834 569406149 /nfs/dbraw/zinc/40/61/49/569406149.db2.gz AGZWAQIWKMCQPH-UHFFFAOYSA-N 0 0 429.424 1.665 50 0 IDAARN Cc1nc(-c2ccc(S(=O)(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)cc2)co1 ZINC000225634127 569406249 /nfs/dbraw/zinc/40/62/49/569406249.db2.gz AIBGKKNYIAXNJI-UHFFFAOYSA-N 0 0 442.501 1.610 50 0 IDAARN COc1ccc2c(c1)CCC[C@]2(O)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225713347 569407481 /nfs/dbraw/zinc/40/74/81/569407481.db2.gz PXRFUVJATXSJOJ-QFIPXVFZSA-N 0 0 444.509 1.851 50 0 IDAARN Cc1nc2c(c(N3CCC(NC(=O)C4CCN(S(C)(=O)=O)CC4)CC3)n1)CCCC2 ZINC000225738629 569407863 /nfs/dbraw/zinc/40/78/63/569407863.db2.gz YFNPNOIXTXHIMY-UHFFFAOYSA-N 0 0 435.594 1.420 50 0 IDAARN O=C(CSc1nnnn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000002617681 569410358 /nfs/dbraw/zinc/41/03/58/569410358.db2.gz YIJXTWYVAUMISS-UHFFFAOYSA-N 0 0 444.542 1.288 50 0 IDAARN CCn1c(=O)c2c(nc1N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)c(C)nn2C ZINC000028556842 569412187 /nfs/dbraw/zinc/41/21/87/569412187.db2.gz WITJKDGBDLIDOD-UHFFFAOYSA-N 0 0 434.497 1.108 50 0 IDAARN Cc1ccccc1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000002633299 569412717 /nfs/dbraw/zinc/41/27/17/569412717.db2.gz AQTCZOIBKIPZRQ-IBGZPJMESA-N 0 0 431.489 1.773 50 0 IDAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000002642317 569413763 /nfs/dbraw/zinc/41/37/63/569413763.db2.gz CCPLIASZSWFWAA-UHFFFAOYSA-N 0 0 440.485 1.652 50 0 IDAARN CC(=O)[C@@H](C)n1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056896004 569427335 /nfs/dbraw/zinc/42/73/35/569427335.db2.gz GJLRDFFGYYKMTC-CYBMUJFWSA-N 0 0 444.923 1.549 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)CC1 ZINC000056903796 569427536 /nfs/dbraw/zinc/42/75/36/569427536.db2.gz XFSBUGLELZKPHB-KRWDZBQOSA-N 0 0 447.536 1.603 50 0 IDAARN CC(=O)[C@@H](C)n1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000056923739 569427710 /nfs/dbraw/zinc/42/77/10/569427710.db2.gz IFIRKNANIDEHOG-CQSZACIVSA-N 0 0 442.495 1.045 50 0 IDAARN COC(=O)COc1ccc(S(=O)(=O)NCc2cc(C)nn2C)cc1Br ZINC000226686392 569427765 /nfs/dbraw/zinc/42/77/65/569427765.db2.gz OYKVQUIIEZQOEZ-UHFFFAOYSA-N 0 0 432.296 1.521 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000056936154 569427774 /nfs/dbraw/zinc/42/77/74/569427774.db2.gz QMUPZALMXIOPTP-KRWDZBQOSA-N 0 0 442.545 1.698 50 0 IDAARN Cc1noc(C)c1CCC(=O)N1CCN(c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000056936190 569427789 /nfs/dbraw/zinc/42/77/89/569427789.db2.gz RHFFBYITOGFVRE-SFHVURJKSA-N 0 0 449.577 1.746 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2cccnc2)CC1 ZINC000056938984 569427864 /nfs/dbraw/zinc/42/78/64/569427864.db2.gz MRJVCDXXWGTJOY-SFHVURJKSA-N 0 0 432.550 1.015 50 0 IDAARN COc1ccc(Br)c(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)c1 ZINC000031387342 569456182 /nfs/dbraw/zinc/45/61/82/569456182.db2.gz QRJBPTGJRITSQK-UHFFFAOYSA-N 0 0 432.340 1.556 50 0 IDAARN COCCNC(=O)COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O ZINC000056949932 569428349 /nfs/dbraw/zinc/42/83/49/569428349.db2.gz RPLLSOZSHWECCT-UHFFFAOYSA-N 0 0 435.908 1.757 50 0 IDAARN CC(C)CCn1c2c(nc1N1CCN(Cc3ccccc3F)CC1)n(C)c(=O)[nH]c2=O ZINC000056952503 569428532 /nfs/dbraw/zinc/42/85/32/569428532.db2.gz CAFRRCUDAQESSU-UHFFFAOYSA-N 0 0 428.512 1.931 50 0 IDAARN CC(C)n1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000056966697 569428654 /nfs/dbraw/zinc/42/86/54/569428654.db2.gz AQTHBXRSRLXOAJ-UHFFFAOYSA-N 0 0 430.940 1.990 50 0 IDAARN COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000056998128 569428948 /nfs/dbraw/zinc/42/89/48/569428948.db2.gz SPWCARZIVZOXHP-PMACEKPBSA-N 0 0 430.526 1.761 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3F)CC2)c1 ZINC000056998020 569428992 /nfs/dbraw/zinc/42/89/92/569428992.db2.gz UMUXJBRWYFRMBU-UHFFFAOYSA-N 0 0 427.480 1.661 50 0 IDAARN CC(=O)[C@H](C)n1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000057122027 569429569 /nfs/dbraw/zinc/42/95/69/569429569.db2.gz KQRBHBIEQVNESQ-AWEZNQCLSA-N 0 0 442.495 1.045 50 0 IDAARN Cn1c2nc(CN3CCN(c4ccccc4F)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000057140225 569429743 /nfs/dbraw/zinc/42/97/43/569429743.db2.gz NAJRKVZNOAZKNT-UHFFFAOYSA-N 0 0 448.502 1.933 50 0 IDAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@@]1(C)CCS(=O)(=O)C1)C3 ZINC000057151476 569429880 /nfs/dbraw/zinc/42/98/80/569429880.db2.gz LPWRRYTZGDSBMF-NRFANRHFSA-N 0 0 435.498 1.854 50 0 IDAARN Cc1sc2nc(N3CCN(CC(=O)NC[C@@H]4CCCO4)CC3)n3ncnc3c2c1C ZINC000057156123 569429954 /nfs/dbraw/zinc/42/99/54/569429954.db2.gz VOGZMQPMOBUMJX-HNNXBMFYSA-N 0 0 429.550 1.373 50 0 IDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000002968321 569433020 /nfs/dbraw/zinc/43/30/20/569433020.db2.gz YTVXHNXUOXVTNH-INIZCTEOSA-N 0 0 439.472 1.709 50 0 IDAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 ZINC000057428171 569434826 /nfs/dbraw/zinc/43/48/26/569434826.db2.gz XDSQHHWCSGULGO-KRWDZBQOSA-N 0 0 443.525 1.967 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1 ZINC000057449194 569435128 /nfs/dbraw/zinc/43/51/28/569435128.db2.gz ATYWSNFJMXXCSG-QGZVFWFLSA-N 0 0 442.516 1.118 50 0 IDAARN COCCCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)CC1 ZINC000057477188 569435804 /nfs/dbraw/zinc/43/58/04/569435804.db2.gz GFWVBSBYPYEOPE-UHFFFAOYSA-N 0 0 445.520 1.004 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCOC)c1=O ZINC000057485936 569436373 /nfs/dbraw/zinc/43/63/73/569436373.db2.gz GZKJXQWIRUPMCZ-UHFFFAOYSA-N 0 0 431.470 1.687 50 0 IDAARN Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O ZINC000057520745 569438841 /nfs/dbraw/zinc/43/88/41/569438841.db2.gz ZZCVVOHYKPXYHN-UHFFFAOYSA-N 0 0 425.514 1.884 50 0 IDAARN COCCN(C(=O)CNc1ccc(C)c(Cl)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000057562959 569439833 /nfs/dbraw/zinc/43/98/33/569439833.db2.gz ZTUYXBBPMWXNMC-UHFFFAOYSA-N 0 0 437.928 1.828 50 0 IDAARN CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000057611566 569440212 /nfs/dbraw/zinc/44/02/12/569440212.db2.gz RMCJSVVQLDVIJS-QGZVFWFLSA-N 0 0 436.559 1.688 50 0 IDAARN COc1ccc(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 ZINC000003250248 569442860 /nfs/dbraw/zinc/44/28/60/569442860.db2.gz AYBOIICZKQCBBU-UHFFFAOYSA-N 0 0 437.445 1.895 50 0 IDAARN CCOC(=O)C1=C(CNc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)NC(=O)NC1 ZINC000030498473 569442940 /nfs/dbraw/zinc/44/29/40/569442940.db2.gz OTDVZCUWLIPBQR-UHFFFAOYSA-N 0 0 436.534 1.712 50 0 IDAARN NC(=O)c1c2c(sc1NC(=O)Cn1cnc3c(cnn3-c3ccccc3)c1=O)CCC2 ZINC000003256663 569443050 /nfs/dbraw/zinc/44/30/50/569443050.db2.gz UZVZWBNCQNABRO-UHFFFAOYSA-N 0 0 434.481 1.870 50 0 IDAARN COc1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)o2)cc1 ZINC000058011007 569444984 /nfs/dbraw/zinc/44/49/84/569444984.db2.gz ZKRJYFBMXABLSF-UHFFFAOYSA-N 0 0 447.517 1.033 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000003315431 569445723 /nfs/dbraw/zinc/44/57/23/569445723.db2.gz 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Cn1nc(C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O ZINC000003340845 569446881 /nfs/dbraw/zinc/44/68/81/569446881.db2.gz KLRJIZSLRZUQFF-UHFFFAOYSA-N 0 0 431.351 1.648 50 0 IDAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(=O)n3cc(Br)ccc3n1)CS2 ZINC000003397418 569449503 /nfs/dbraw/zinc/44/95/03/569449503.db2.gz SXZQAKATRVHUGV-PXAZEXFGSA-N 0 0 438.303 1.954 50 0 IDAARN Cc1cccc(Nc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)s2)c1C ZINC000003356074 569447649 /nfs/dbraw/zinc/44/76/49/569447649.db2.gz DQHCOYDZHOUFDL-UHFFFAOYSA-N 0 0 432.531 1.853 50 0 IDAARN Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1C(F)(F)F ZINC000003358105 569447721 /nfs/dbraw/zinc/44/77/21/569447721.db2.gz TVPDJONAOALHAO-UHFFFAOYSA-N 0 0 449.480 1.459 50 0 IDAARN NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000003367035 569448187 /nfs/dbraw/zinc/44/81/87/569448187.db2.gz KNLQVILBICAWEO-UHFFFAOYSA-N 0 0 438.289 1.132 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(CC(F)F)CC1 ZINC000058137274 569448468 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0 IDAARN NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000003403766 569449818 /nfs/dbraw/zinc/44/98/18/569449818.db2.gz IDNCFCUPDUJQFV-UHFFFAOYSA-N 0 0 441.275 1.853 50 0 IDAARN COc1cc(C(=O)OCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)ccc1OC(F)F ZINC000003438301 569451081 /nfs/dbraw/zinc/45/10/81/569451081.db2.gz PXDDSAFECJSUAA-UHFFFAOYSA-N 0 0 437.355 1.290 50 0 IDAARN CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000030988655 569452063 /nfs/dbraw/zinc/45/20/63/569452063.db2.gz OAXBGWSAEYTUJR-QGZVFWFLSA-N 0 0 444.513 1.787 50 0 IDAARN COc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000030996516 569452157 /nfs/dbraw/zinc/45/21/57/569452157.db2.gz AYXIZFBWKMHTAD-UHFFFAOYSA-N 0 0 449.529 1.724 50 0 IDAARN C[C@@]1(NC(=O)CCC(=O)c2ccc(I)cc2)CCS(=O)(=O)C1 ZINC000030998178 569452186 /nfs/dbraw/zinc/45/21/86/569452186.db2.gz WFKQFOQVXCZUAL-OAHLLOKOSA-N 0 0 435.283 1.948 50 0 IDAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)c1 ZINC000058292653 569452500 /nfs/dbraw/zinc/45/25/00/569452500.db2.gz SQDBLJRKLYZUIW-INIZCTEOSA-N 0 0 440.529 1.667 50 0 IDAARN CCCCN(C(=O)COC(=O)c1cccnc1Cl)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003535190 569453512 /nfs/dbraw/zinc/45/35/12/569453512.db2.gz XLZZSTHMEANCBE-UHFFFAOYSA-N 0 0 437.884 1.567 50 0 IDAARN Cc1c(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000003586046 569454499 /nfs/dbraw/zinc/45/44/99/569454499.db2.gz LZIHBCIPHSHMOU-UHFFFAOYSA-N 0 0 447.451 1.527 50 0 IDAARN CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000003593075 569454568 /nfs/dbraw/zinc/45/45/68/569454568.db2.gz OWJQEDVBVLKJGW-KRWDZBQOSA-N 0 0 425.283 1.840 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c1C ZINC000031451710 569456514 /nfs/dbraw/zinc/45/65/14/569456514.db2.gz QFEUQNQOWHNCTK-UHFFFAOYSA-N 0 0 438.362 1.728 50 0 IDAARN CN(Cc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772771 569457225 /nfs/dbraw/zinc/45/72/25/569457225.db2.gz 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CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCc2nc3cc(F)ccc3[nH]2)cc1 ZINC000670460066 569460642 /nfs/dbraw/zinc/46/06/42/569460642.db2.gz RSMRWESMPVUKNU-UHFFFAOYSA-N 0 0 427.483 1.399 50 0 IDAARN COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000032437575 569461697 /nfs/dbraw/zinc/46/16/97/569461697.db2.gz CCHXHBOWNDCNNN-KRWDZBQOSA-N 0 0 431.470 1.818 50 0 IDAARN COc1ccc(CCCN(C)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC ZINC000032457161 569461734 /nfs/dbraw/zinc/46/17/34/569461734.db2.gz LEGSHLWKESAWSP-UHFFFAOYSA-N 0 0 432.498 1.940 50 0 IDAARN CCOCCn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)c(C)n32)n(C)c1=O ZINC000004314084 569462014 /nfs/dbraw/zinc/46/20/14/569462014.db2.gz BDNQSYBGUAQDKJ-UHFFFAOYSA-N 0 0 425.489 1.860 50 0 IDAARN COCc1cc(=O)n(CC(=O)Nc2cccc(Br)c2)c(N2CCOCC2)n1 ZINC000067219861 569465066 /nfs/dbraw/zinc/46/50/66/569465066.db2.gz KVYVXAVZOXMSPP-UHFFFAOYSA-N 0 0 437.294 1.628 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc1 ZINC000067245949 569465958 /nfs/dbraw/zinc/46/59/58/569465958.db2.gz FOIYWZBICMJQOH-UHFFFAOYSA-N 0 0 445.428 1.641 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285893 569466908 /nfs/dbraw/zinc/46/69/08/569466908.db2.gz XDZGRJMXLXGCLM-FQEVSTJZSA-N 0 0 446.504 1.039 50 0 IDAARN CCOC(=O)N1CCN(CC2=NC(=O)N[C@@H](c3ccc(OCC)cc3)C2C(=O)OC)CC1 ZINC000067287209 569467021 /nfs/dbraw/zinc/46/70/21/569467021.db2.gz QJONBMQRHZFGGN-IBGZPJMESA-N 0 0 446.504 1.640 50 0 IDAARN CCOc1ccc([C@@H]2NC(=O)N=C(CN3CCC4(CC3)OCCO4)C2C(=O)OC)cc1 ZINC000067287158 569467135 /nfs/dbraw/zinc/46/71/35/569467135.db2.gz QQLSSJZXHYDBJV-IBGZPJMESA-N 0 0 431.489 1.705 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000067287696 569467218 /nfs/dbraw/zinc/46/72/18/569467218.db2.gz GSEINSCXFAINCR-FQEVSTJZSA-N 0 0 430.505 1.421 50 0 IDAARN CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCC3(CC2)OCCO3)=C1C(=O)OC ZINC000067287861 569467239 /nfs/dbraw/zinc/46/72/39/569467239.db2.gz OQLPQJLRVANICE-LJQANCHMSA-N 0 0 431.489 1.705 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3cccc(OC)c3)NC(=O)N2)C1 ZINC000067287801 569467298 /nfs/dbraw/zinc/46/72/98/569467298.db2.gz KSXXJFYABFYKSQ-BEFAXECRSA-N 0 0 431.489 1.751 50 0 IDAARN CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3OCC)NC(=O)N2)CC1 ZINC000067287905 569467388 /nfs/dbraw/zinc/46/73/88/569467388.db2.gz BACHNVMGBUOAAW-LJQANCHMSA-N 0 0 446.504 1.640 50 0 IDAARN O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccccc2F)CC1 ZINC000067317440 569468445 /nfs/dbraw/zinc/46/84/45/569468445.db2.gz MFGFEMJAJUYDFA-UHFFFAOYSA-N 0 0 438.507 1.643 50 0 IDAARN CC(C)CNC(=O)c1nsc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1N ZINC000067334979 569468838 /nfs/dbraw/zinc/46/88/38/569468838.db2.gz JPHAJWLUESCLSH-UHFFFAOYSA-N 0 0 445.545 1.798 50 0 IDAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1C ZINC000008604099 569469334 /nfs/dbraw/zinc/46/93/34/569469334.db2.gz YOPVIPLLFMZLJN-UHFFFAOYSA-N 0 0 444.513 1.113 50 0 IDAARN CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000008629515 569469479 /nfs/dbraw/zinc/46/94/79/569469479.db2.gz XXIQFPBMBSZDPC-XHSDSOJGSA-N 0 0 426.535 1.802 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000038946935 569469630 /nfs/dbraw/zinc/46/96/30/569469630.db2.gz GRFRPIBESVQMRF-RTBURBONSA-N 0 0 437.537 1.272 50 0 IDAARN O=C(NCCc1ccccc1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008661342 569469780 /nfs/dbraw/zinc/46/97/80/569469780.db2.gz QPAAAALRMQCIGH-UHFFFAOYSA-N 0 0 441.509 1.522 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000008703947 569470243 /nfs/dbraw/zinc/47/02/43/569470243.db2.gz WQKTZEAVHSUQTD-SFHVURJKSA-N 0 0 447.513 1.426 50 0 IDAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000008709339 569470817 /nfs/dbraw/zinc/47/08/17/569470817.db2.gz BBSFZOVCXMTUFR-HNNXBMFYSA-N 0 0 435.575 1.653 50 0 IDAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000008709338 569470832 /nfs/dbraw/zinc/47/08/32/569470832.db2.gz BBSFZOVCXMTUFR-OAHLLOKOSA-N 0 0 435.575 1.653 50 0 IDAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000008718463 569471310 /nfs/dbraw/zinc/47/13/10/569471310.db2.gz JHQJSMXNCJJRPE-VNHYZAJKSA-N 0 0 447.513 1.695 50 0 IDAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2=O ZINC000008719115 569471388 /nfs/dbraw/zinc/47/13/88/569471388.db2.gz PBMVBAKXPIPTPG-BTYIYWSLSA-N 0 0 448.545 1.910 50 0 IDAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008726832 569472269 /nfs/dbraw/zinc/47/22/69/569472269.db2.gz RGKLAXHZZDGLDT-UHFFFAOYSA-N 0 0 425.536 1.497 50 0 IDAARN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000008747759 569473170 /nfs/dbraw/zinc/47/31/70/569473170.db2.gz XMSWFQJQCXZWKQ-LJQANCHMSA-N 0 0 445.273 1.954 50 0 IDAARN COCCN(CC(=O)N1CCN(c2ncccn2)CC1)Cc1nnc(-c2cccs2)o1 ZINC000008756592 569474057 /nfs/dbraw/zinc/47/40/57/569474057.db2.gz 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CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](CO)C(C)C ZINC000008790116 569475995 /nfs/dbraw/zinc/47/59/95/569475995.db2.gz GOIWTMSFBJMTAQ-WNQRMCIFSA-N 0 0 433.574 1.920 50 0 biogenic IDAARN CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000008824842 569477234 /nfs/dbraw/zinc/47/72/34/569477234.db2.gz POXSHLVWXLJQFS-LBPRGKRZSA-N 0 0 447.419 1.853 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008843434 569478511 /nfs/dbraw/zinc/47/85/11/569478511.db2.gz LCWAIOOZNMSNSX-DMVFFGLYSA-N 0 0 438.509 1.540 50 0 IDAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000008848716 569479218 /nfs/dbraw/zinc/47/92/18/569479218.db2.gz QQTMVCLGSFAUHL-CQSZACIVSA-N 0 0 429.424 1.537 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C(C)=O)cc2)c(=O)c3=O)cc1 ZINC000008849446 569479252 /nfs/dbraw/zinc/47/92/52/569479252.db2.gz AWNSDCUMKOENEM-UHFFFAOYSA-N 0 0 449.467 1.797 50 0 IDAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCO ZINC000008856017 569479722 /nfs/dbraw/zinc/47/97/22/569479722.db2.gz IGNDYCMABNKDQK-UHFFFAOYSA-N 0 0 427.320 1.749 50 0 IDAARN Cn1c(N)c(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000008861176 569479984 /nfs/dbraw/zinc/47/99/84/569479984.db2.gz LARJPOUMIRPZCY-UHFFFAOYSA-N 0 0 426.502 1.158 50 0 IDAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2)n1 ZINC000008865034 569480195 /nfs/dbraw/zinc/48/01/95/569480195.db2.gz BFSHQZAIVLROOQ-UHFFFAOYSA-N 0 0 437.543 1.833 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000008877180 569481185 /nfs/dbraw/zinc/48/11/85/569481185.db2.gz FZBWEYSWJJZSOF-AWEZNQCLSA-N 0 0 433.461 1.672 50 0 IDAARN C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000039996341 569482376 /nfs/dbraw/zinc/48/23/76/569482376.db2.gz DDCBQYBZGPXEIW-LBPRGKRZSA-N 0 0 441.893 1.873 50 0 IDAARN Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000040012248 569482537 /nfs/dbraw/zinc/48/25/37/569482537.db2.gz SKWUOQPHBWOANJ-AWEZNQCLSA-N 0 0 435.546 1.197 50 0 IDAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccc21 ZINC000040012310 569482542 /nfs/dbraw/zinc/48/25/42/569482542.db2.gz XWKAIPUDTVLDHB-CYBMUJFWSA-N 0 0 443.481 1.208 50 0 IDAARN Cc1ccc(-c2nc(SCC(=O)N3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000008896965 569483921 /nfs/dbraw/zinc/48/39/21/569483921.db2.gz DZULRPDGCBFNAS-UHFFFAOYSA-N 0 0 425.514 1.717 50 0 IDAARN COc1ccccc1-c1nc(SCC(=O)NC(C)C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000008899985 569484127 /nfs/dbraw/zinc/48/41/27/569484127.db2.gz LTDGPQRSJQUITJ-UHFFFAOYSA-N 0 0 429.502 1.320 50 0 IDAARN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000040052196 569484504 /nfs/dbraw/zinc/48/45/04/569484504.db2.gz HRXMGTJELOOVAB-UXHICEINSA-N 0 0 441.528 1.953 50 0 IDAARN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCN(C(=O)N4CCCCC4)CC3)c(C)c12 ZINC000040072734 569486013 /nfs/dbraw/zinc/48/60/13/569486013.db2.gz RKDLNMNDJQFNPE-UHFFFAOYSA-N 0 0 428.537 1.561 50 0 IDAARN Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000040081139 569486593 /nfs/dbraw/zinc/48/65/93/569486593.db2.gz QSPOBEDRXULVEY-CALCHBBNSA-N 0 0 427.592 1.585 50 0 IDAARN Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000040081144 569486613 /nfs/dbraw/zinc/48/66/13/569486613.db2.gz QSPOBEDRXULVEY-IRXDYDNUSA-N 0 0 427.592 1.585 50 0 IDAARN CCS(=O)(=O)N(C)CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000040094797 569487505 /nfs/dbraw/zinc/48/75/05/569487505.db2.gz UQEIIDHRLYNGDF-UHFFFAOYSA-N 0 0 431.580 1.263 50 0 IDAARN CCOC(=O)C1=C(CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)NC(=O)NC1 ZINC000008939787 569488263 /nfs/dbraw/zinc/48/82/63/569488263.db2.gz HQKHJKLHBZSQRQ-UHFFFAOYSA-N 0 0 444.395 1.783 50 0 IDAARN CN1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1 ZINC000040107864 569488512 /nfs/dbraw/zinc/48/85/12/569488512.db2.gz GUSKBXLGYRVZAY-NRFANRHFSA-N 0 0 441.576 1.618 50 0 IDAARN C[C@H]1CN(c2ccc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cn2)CCO1 ZINC000040112428 569488919 /nfs/dbraw/zinc/48/89/19/569488919.db2.gz VPSSHKOBJPMNIM-INIZCTEOSA-N 0 0 429.521 1.520 50 0 IDAARN Cn1cc(S(=O)(=O)N[C@H](COc2ccccc2F)c2ccccc2)c(=O)n(C)c1=O ZINC000040119648 569489455 /nfs/dbraw/zinc/48/94/55/569489455.db2.gz KJCIMVNOAGYLMM-MRXNPFEDSA-N 0 0 433.461 1.322 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc(-c2cccnc2)on1 ZINC000040134208 569490498 /nfs/dbraw/zinc/49/04/98/569490498.db2.gz POWPWNJYGKBUCU-UHFFFAOYSA-N 0 0 442.501 1.013 50 0 IDAARN Cc1ccc(CNC(=O)[C@@H](C)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000040135404 569490727 /nfs/dbraw/zinc/49/07/27/569490727.db2.gz ODHGHJFOWLSDBO-QGZVFWFLSA-N 0 0 426.542 1.766 50 0 IDAARN CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])ccc12 ZINC000008964539 569491230 /nfs/dbraw/zinc/49/12/30/569491230.db2.gz MAQWCHLPIMCYTG-WBMJQRKESA-N 0 0 432.477 1.345 50 0 biogenic IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2nc(N3CCOCC3)ncc2Cl)c1 ZINC000040140185 569491515 /nfs/dbraw/zinc/49/15/15/569491515.db2.gz ZUTWVNNQADXFHD-UHFFFAOYSA-N 0 0 425.898 1.469 50 0 IDAARN Cc1c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cnn1[C@H]1CCS(=O)(=O)C1 ZINC000040141414 569491737 /nfs/dbraw/zinc/49/17/37/569491737.db2.gz FXNXSADPVPKQCV-INIZCTEOSA-N 0 0 427.486 1.768 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(C)oc(C)c2S(N)(=O)=O)c1 ZINC000040143119 569491864 /nfs/dbraw/zinc/49/18/64/569491864.db2.gz XHRKCZJEBKPKSC-UHFFFAOYSA-N 0 0 429.520 1.827 50 0 IDAARN Cc1oc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N1CCCC1 ZINC000040143748 569491987 /nfs/dbraw/zinc/49/19/87/569491987.db2.gz RNHQHWFCUVGUHW-UHFFFAOYSA-N 0 0 430.486 1.881 50 0 IDAARN O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000040145813 569492196 /nfs/dbraw/zinc/49/21/96/569492196.db2.gz IAWGMZOJKFWOTL-UHFFFAOYSA-N 0 0 448.501 1.186 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)CCNC(=O)c2ccc(F)cc2F)cc1 ZINC000040146140 569492226 /nfs/dbraw/zinc/49/22/26/569492226.db2.gz AVPBBIQRTDTOHL-UHFFFAOYSA-N 0 0 425.457 1.651 50 0 IDAARN COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN(C)Cc3cnc(C)s3)nc(=O)c12 ZINC000040149554 569492606 /nfs/dbraw/zinc/49/26/06/569492606.db2.gz KXUUWAKVBVSMFZ-UHFFFAOYSA-N 0 0 436.515 1.884 50 0 IDAARN O=C(COC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2)N1CCNC1=O ZINC000040150415 569493185 /nfs/dbraw/zinc/49/31/85/569493185.db2.gz GUNVPTIXRSVUOV-UHFFFAOYSA-N 0 0 428.470 1.983 50 0 IDAARN COC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)nn1 ZINC000040153592 569493634 /nfs/dbraw/zinc/49/36/34/569493634.db2.gz CGGFCVMPXLFNDO-UHFFFAOYSA-N 0 0 427.486 1.631 50 0 IDAARN C[C@H](Sc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000040154032 569493663 /nfs/dbraw/zinc/49/36/63/569493663.db2.gz CKZFFLHMZCFFNG-HNNXBMFYSA-N 0 0 447.026 1.457 50 0 IDAARN C[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc(-n2cc(C(N)=O)nn2)cc1 ZINC000040154599 569493750 /nfs/dbraw/zinc/49/37/50/569493750.db2.gz LXKVCKUDMCLXIV-LBPRGKRZSA-N 0 0 440.895 1.901 50 0 IDAARN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000040155294 569493880 /nfs/dbraw/zinc/49/38/80/569493880.db2.gz ZJGPHVZMBCNJLD-HUUCEWRRSA-N 0 0 436.534 1.677 50 0 IDAARN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000040155292 569493919 /nfs/dbraw/zinc/49/39/19/569493919.db2.gz ZJGPHVZMBCNJLD-LSDHHAIUSA-N 0 0 436.534 1.677 50 0 IDAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000040159866 569494757 /nfs/dbraw/zinc/49/47/57/569494757.db2.gz WLZOMBNZFSRRDK-SPYBWZPUSA-N 0 0 426.535 1.787 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000008987063 569494901 /nfs/dbraw/zinc/49/49/01/569494901.db2.gz JKRXVSLMUSAUSQ-ZHRRBRCNSA-N 0 0 425.441 1.418 50 0 IDAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008987575 569494905 /nfs/dbraw/zinc/49/49/05/569494905.db2.gz RDGBTQAQAUSXRO-UHFFFAOYSA-N 0 0 435.933 1.993 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccn1 ZINC000008990727 569495090 /nfs/dbraw/zinc/49/50/90/569495090.db2.gz SPKBNNIXTROIRP-HNNXBMFYSA-N 0 0 434.493 1.054 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1 ZINC000009001102 569495952 /nfs/dbraw/zinc/49/59/52/569495952.db2.gz VFKHXGQUUVPRFF-UHFFFAOYSA-N 0 0 445.435 1.427 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000009001119 569495965 /nfs/dbraw/zinc/49/59/65/569495965.db2.gz DMOQBSZZCAJSQA-UHFFFAOYSA-N 0 0 445.435 1.047 50 0 IDAARN COCCN1C(=O)CN(C2CCN(CC(=O)Nc3nc4ccc(C)cc4s3)CC2)C1=O ZINC000244986298 569496837 /nfs/dbraw/zinc/49/68/37/569496837.db2.gz JOZHJILHLCDENU-UHFFFAOYSA-N 0 0 445.545 1.918 50 0 IDAARN COc1ccc2cnn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)c2c1OC ZINC000040266161 569497176 /nfs/dbraw/zinc/49/71/76/569497176.db2.gz CWQBEZNZBXYQFX-UHFFFAOYSA-N 0 0 426.448 1.902 50 0 IDAARN O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)N1CCNC1=O ZINC000040266527 569497237 /nfs/dbraw/zinc/49/72/37/569497237.db2.gz MLQGGNYPPWBJMT-UHFFFAOYSA-N 0 0 430.436 1.032 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(Oc2ccncc2)CC1 ZINC000245174002 569498001 /nfs/dbraw/zinc/49/80/01/569498001.db2.gz YFWKALYTDWWRIG-UHFFFAOYSA-N 0 0 431.514 1.786 50 0 IDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(Cl)c1)C(=O)OC ZINC000040287128 569498194 /nfs/dbraw/zinc/49/81/94/569498194.db2.gz ACGIWFHPSBPDMT-YOEHRIQHSA-N 0 0 438.843 1.964 50 0 IDAARN COc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000009047513 569498512 /nfs/dbraw/zinc/49/85/12/569498512.db2.gz YXMLBRDFLVMRCB-INIZCTEOSA-N 0 0 431.514 1.851 50 0 IDAARN Cn1c2ncn(CC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c2c(=O)n(C)c1=O ZINC000009058202 569499217 /nfs/dbraw/zinc/49/92/17/569499217.db2.gz MDBRLNYAGQVOQF-ZDUSSCGKSA-N 0 0 438.513 1.450 50 0 IDAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccncc1 ZINC000009061003 569499552 /nfs/dbraw/zinc/49/95/52/569499552.db2.gz QVJHBTMFVXHGLL-DOTOQJQBSA-N 0 0 448.520 1.443 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000009109703 569501963 /nfs/dbraw/zinc/50/19/63/569501963.db2.gz DPJYGCOINDOQIA-AWEZNQCLSA-N 0 0 425.445 1.377 50 0 IDAARN CC(=O)N(c1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1)c1ccccc1F ZINC000009115619 569502739 /nfs/dbraw/zinc/50/27/39/569502739.db2.gz MBMPWELXSGMMJE-UHFFFAOYSA-N 0 0 428.449 1.762 50 0 IDAARN COc1cccc(-n2cnnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c1 ZINC000009117654 569503199 /nfs/dbraw/zinc/50/31/99/569503199.db2.gz GHNKGIPRSHPTHA-UHFFFAOYSA-N 0 0 429.502 1.556 50 0 IDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009120050 569503731 /nfs/dbraw/zinc/50/37/31/569503731.db2.gz ARENIVHEJKKOMS-UHFFFAOYSA-N 0 0 446.485 1.561 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000009126623 569504978 /nfs/dbraw/zinc/50/49/78/569504978.db2.gz DBABZYDNQKAZTB-UHFFFAOYSA-N 0 0 433.486 1.722 50 0 IDAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=S)NC4CC4)ccc3N3CCC[C@@H]32)C1=O ZINC000009129094 569505667 /nfs/dbraw/zinc/50/56/67/569505667.db2.gz RZFMYXHSKOSWAU-MRXNPFEDSA-N 0 0 427.530 1.697 50 0 IDAARN COc1cc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC ZINC000009129334 569505718 /nfs/dbraw/zinc/50/57/18/569505718.db2.gz SMGWWIVYNVKZDU-UHFFFAOYSA-N 0 0 425.532 1.889 50 0 IDAARN COc1cc(Cl)c(C)cc1NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000069437143 569506470 /nfs/dbraw/zinc/50/64/70/569506470.db2.gz OLHQNGWGZSPIGP-UHFFFAOYSA-N 0 0 445.973 1.299 50 0 IDAARN C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000009160574 569508698 /nfs/dbraw/zinc/50/86/98/569508698.db2.gz CPUUMRXJYKHHTG-SNVBAGLBSA-N 0 0 426.304 1.972 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000009168389 569509173 /nfs/dbraw/zinc/50/91/73/569509173.db2.gz ZVDWGTIHTPKEER-OAQYLSRUSA-N 0 0 425.397 1.592 50 0 IDAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cc(=O)n2ccsc2n1 ZINC000009174517 569509745 /nfs/dbraw/zinc/50/97/45/569509745.db2.gz CDWWHHBTQQUKNA-UHFFFAOYSA-N 0 0 434.499 1.218 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@]12c1ccccc1NC2=O ZINC000009189944 569510502 /nfs/dbraw/zinc/51/05/02/569510502.db2.gz PDBRRUIOLAGAFM-ZAMGYDSWSA-N 0 0 437.452 1.310 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@]12c1ccccc1NC2=O ZINC000009189942 569510525 /nfs/dbraw/zinc/51/05/25/569510525.db2.gz PDBRRUIOLAGAFM-NPMABZOXSA-N 0 0 437.452 1.310 50 0 IDAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000009218616 569512380 /nfs/dbraw/zinc/51/23/80/569512380.db2.gz VDQNPPUIUSARPH-BFUOFWGJSA-N 0 0 439.921 1.285 50 0 IDAARN CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 ZINC000009218373 569512402 /nfs/dbraw/zinc/51/24/02/569512402.db2.gz SPASYDSRAQJQDN-OXJNMPFZSA-N 0 0 441.557 1.884 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@H]1COc2ccccc2O1 ZINC000009222654 569512796 /nfs/dbraw/zinc/51/27/96/569512796.db2.gz PVPJGPIJYOPZTN-AWEZNQCLSA-N 0 0 438.527 1.268 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000009222773 569512851 /nfs/dbraw/zinc/51/28/51/569512851.db2.gz QDVSYGQLDILRFC-UHFFFAOYSA-N 0 0 430.530 1.719 50 0 IDAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000009223133 569512869 /nfs/dbraw/zinc/51/28/69/569512869.db2.gz QQTFSHZXAVRUII-HOYKHHGWSA-N 0 0 435.480 1.899 50 0 IDAARN Cn1c2ncn(CC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)c2c(=O)n(C)c1=O ZINC000009224080 569513110 /nfs/dbraw/zinc/51/31/10/569513110.db2.gz DHDKPWWNUICHPV-ZDUSSCGKSA-N 0 0 438.469 1.466 50 0 IDAARN Cn1c2ncn(CCCC(=O)Nc3nc(-c4ccccn4)cs3)c2c(=O)n(C)c1=O ZINC000009224052 569513119 /nfs/dbraw/zinc/51/31/19/569513119.db2.gz KTCZKBVFCIBHAC-UHFFFAOYSA-N 0 0 425.474 1.371 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCn2c3ccccc3nc21 ZINC000009229030 569513664 /nfs/dbraw/zinc/51/36/64/569513664.db2.gz NUASYEHRRWTSLT-UHFFFAOYSA-N 0 0 445.501 1.483 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)cc2)n(C)c1=O ZINC000009242858 569514807 /nfs/dbraw/zinc/51/48/07/569514807.db2.gz ZRCSERNINVCKER-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000009244400 569515060 /nfs/dbraw/zinc/51/50/60/569515060.db2.gz RMMOPRRGFPVHII-UHFFFAOYSA-N 0 0 431.470 1.366 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1C(N)=O ZINC000009244507 569515089 /nfs/dbraw/zinc/51/50/89/569515089.db2.gz UWMPCXUXQOEJOP-UHFFFAOYSA-N 0 0 433.486 1.132 50 0 IDAARN O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009245543 569515310 /nfs/dbraw/zinc/51/53/10/569515310.db2.gz OPTHYRQVDAUPNG-UHFFFAOYSA-N 0 0 432.527 1.450 50 0 IDAARN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(OCC(N)=O)c(OC)c1 ZINC000009249968 569515591 /nfs/dbraw/zinc/51/55/91/569515591.db2.gz GJGSUXJFPCQPEH-GFCCVEGCSA-N 0 0 432.502 1.629 50 0 IDAARN Cc1ccc(C)c(-c2nn(CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc32)c1 ZINC000009256399 569516754 /nfs/dbraw/zinc/51/67/54/569516754.db2.gz YQPUCNGLXUZGTC-INIZCTEOSA-N 0 0 425.510 1.984 50 0 IDAARN O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009257195 569516830 /nfs/dbraw/zinc/51/68/30/569516830.db2.gz YAFRBQFULWTNAA-MRXNPFEDSA-N 0 0 438.527 1.784 50 0 IDAARN Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1=NCCS1 ZINC000009263933 569517259 /nfs/dbraw/zinc/51/72/59/569517259.db2.gz DJFOFEPROABUBE-UHFFFAOYSA-N 0 0 438.966 1.752 50 0 IDAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)ncn3n2)cc1 ZINC000009287225 569519238 /nfs/dbraw/zinc/51/92/38/569519238.db2.gz DQACCNHXVZUAIZ-UHFFFAOYSA-N 0 0 433.424 1.612 50 0 IDAARN Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000069810585 569519595 /nfs/dbraw/zinc/51/95/95/569519595.db2.gz DFUMQUICABCLJM-UHFFFAOYSA-N 0 0 429.502 1.759 50 0 IDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1cccnc1 ZINC000009303207 569521026 /nfs/dbraw/zinc/52/10/26/569521026.db2.gz XXTIGXRVCQVXNU-GJZGRUSLSA-N 0 0 434.493 1.765 50 0 IDAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccccn1 ZINC000009306512 569521351 /nfs/dbraw/zinc/52/13/51/569521351.db2.gz UBESLJDSHIGNQD-JKSUJKDBSA-N 0 0 448.520 1.443 50 0 IDAARN O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000009307220 569521381 /nfs/dbraw/zinc/52/13/81/569521381.db2.gz HUDGZKHOKLTZCH-NSNOHRKYSA-N 0 0 435.411 1.986 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@H]1C ZINC000009315394 569522135 /nfs/dbraw/zinc/52/21/35/569522135.db2.gz DCHCJBVQAHMQPQ-URNNUDQISA-N 0 0 433.505 1.381 50 0 IDAARN Cc1c(NC(=O)[C@H](C)Sc2nnnn2C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C ZINC000009316737 569522317 /nfs/dbraw/zinc/52/23/17/569522317.db2.gz PHFPZEGJXCMZIY-GOEBONIOSA-N 0 0 443.533 1.769 50 0 IDAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1 ZINC000009347361 569524270 /nfs/dbraw/zinc/52/42/70/569524270.db2.gz NFADPFKZTIXVHS-UHFFFAOYSA-N 0 0 425.513 1.990 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000009377491 569527513 /nfs/dbraw/zinc/52/75/13/569527513.db2.gz XYCDJDAUQCQOEC-GOSISDBHSA-N 0 0 449.504 1.994 50 0 IDAARN Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009403743 569529577 /nfs/dbraw/zinc/52/95/77/569529577.db2.gz RANHLAQRSRDHRI-UHFFFAOYSA-N 0 0 430.486 1.777 50 0 IDAARN COc1ccc(NC(=O)Cn2ccn(Cc3ccccc3OC)c(=O)c2=O)c(OC)c1 ZINC000009405628 569529996 /nfs/dbraw/zinc/52/99/96/569529996.db2.gz MSAIBMBVYDNZIQ-UHFFFAOYSA-N 0 0 425.441 1.723 50 0 IDAARN Cn1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cc3)cc2n(C)c(=O)c1=O ZINC000009407845 569530341 /nfs/dbraw/zinc/53/03/41/569530341.db2.gz BHYXFLDWULRMCL-UHFFFAOYSA-N 0 0 435.889 1.693 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O ZINC000009412782 569531655 /nfs/dbraw/zinc/53/16/55/569531655.db2.gz MZEGYYNAFCFBBF-UHFFFAOYSA-N 0 0 436.403 1.932 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2-c2cccc(OC)c2)c1=O ZINC000009412802 569531678 /nfs/dbraw/zinc/53/16/78/569531678.db2.gz KLXMUWWGLWPPBJ-UHFFFAOYSA-N 0 0 448.439 1.801 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccn1 ZINC000009420667 569532738 /nfs/dbraw/zinc/53/27/38/569532738.db2.gz KLZOXINPFXLGIU-AWEZNQCLSA-N 0 0 436.921 1.891 50 0 IDAARN O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1cccnc1 ZINC000009422982 569532887 /nfs/dbraw/zinc/53/28/87/569532887.db2.gz INAWOSZWCWWKLS-UHFFFAOYSA-N 0 0 434.493 1.054 50 0 IDAARN Cc1c(NC(=O)CSc2nnc(-c3cnccn3)n2C)c(=O)n(-c2ccccc2)n1C ZINC000009435758 569534869 /nfs/dbraw/zinc/53/48/69/569534869.db2.gz MXSUUSZVKDFXOC-UHFFFAOYSA-N 0 0 436.501 1.801 50 0 IDAARN CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009436499 569534905 /nfs/dbraw/zinc/53/49/05/569534905.db2.gz JPWHVNCJJQLWRW-UHFFFAOYSA-N 0 0 445.472 1.428 50 0 biogenic IDAARN CCCn1nc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O ZINC000009452247 569536457 /nfs/dbraw/zinc/53/64/57/569536457.db2.gz SFGDWNQNBOAVGH-UHFFFAOYSA-N 0 0 444.469 1.249 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3ccc(Br)cc3Cl)c2c(=O)n(C)c1=O ZINC000009461567 569537081 /nfs/dbraw/zinc/53/70/81/569537081.db2.gz RIBVLSMVJSCUHU-UHFFFAOYSA-N 0 0 426.658 1.488 50 0 IDAARN CC(C)CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000009464137 569537625 /nfs/dbraw/zinc/53/76/25/569537625.db2.gz MXRSGVASUKQVIL-UHFFFAOYSA-N 0 0 441.731 1.696 50 0 IDAARN O=C(COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1)c1ccc[nH]1 ZINC000009465811 569538012 /nfs/dbraw/zinc/53/80/12/569538012.db2.gz BMTVECMNZBZNOQ-VQIMIIECSA-N 0 0 428.466 1.718 50 0 IDAARN O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009477760 569539273 /nfs/dbraw/zinc/53/92/73/569539273.db2.gz YHHSKENGDSAZDS-KRWDZBQOSA-N 0 0 431.445 1.863 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccco1 ZINC000009484902 569539565 /nfs/dbraw/zinc/53/95/65/569539565.db2.gz YMIBGPYAMXDZMB-AWEZNQCLSA-N 0 0 439.921 1.766 50 0 IDAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)ccc1OCC(N)=O ZINC000009486157 569539575 /nfs/dbraw/zinc/53/95/75/569539575.db2.gz FRRYQZDPBNEFAW-HNNXBMFYSA-N 0 0 436.472 1.934 50 0 IDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009491995 569540429 /nfs/dbraw/zinc/54/04/29/569540429.db2.gz IKSAABVYXAYUQN-INIZCTEOSA-N 0 0 448.522 1.047 50 0 IDAARN CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000009498752 569541388 /nfs/dbraw/zinc/54/13/88/569541388.db2.gz OKJUAZJJFRABKT-SFHVURJKSA-N 0 0 442.925 1.880 50 0 IDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O ZINC000009503508 569541774 /nfs/dbraw/zinc/54/17/74/569541774.db2.gz FLSRAAFPHIHKHR-IBGZPJMESA-N 0 0 429.506 1.769 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1 ZINC000009508339 569542295 /nfs/dbraw/zinc/54/22/95/569542295.db2.gz GLSUPIKNLZSHQC-UHFFFAOYSA-N 0 0 444.473 1.519 50 0 IDAARN Cc1cccc(C)c1Nc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1 ZINC000009510287 569542715 /nfs/dbraw/zinc/54/27/15/569542715.db2.gz JQXOQRAWAXFFNW-UHFFFAOYSA-N 0 0 432.531 1.853 50 0 IDAARN COc1cccc(-n2ccnc2SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000009512287 569542939 /nfs/dbraw/zinc/54/29/39/569542939.db2.gz HLWFGAGVVLTBHT-UHFFFAOYSA-N 0 0 432.527 1.937 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000009512320 569542943 /nfs/dbraw/zinc/54/29/43/569542943.db2.gz KKUPDGHIIRDZFX-OAQYLSRUSA-N 0 0 429.498 1.675 50 0 IDAARN CC(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O ZINC000009513242 569543101 /nfs/dbraw/zinc/54/31/01/569543101.db2.gz HZEVMYUNTHKPFI-IBGZPJMESA-N 0 0 426.420 1.765 50 0 IDAARN Cn1c2nc3n(c2c(=O)n(CC(=O)OCc2ccccc2)c1=O)CCCN3Cc1ccco1 ZINC000009519028 569544209 /nfs/dbraw/zinc/54/42/09/569544209.db2.gz HXMUJQMLJMEMTO-UHFFFAOYSA-N 0 0 449.467 1.643 50 0 IDAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NC[C@H]1CCCO1 ZINC000009519719 569544311 /nfs/dbraw/zinc/54/43/11/569544311.db2.gz GUWCVYFXJZOAMG-QGZVFWFLSA-N 0 0 447.557 1.723 50 0 IDAARN NC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000009535781 569545557 /nfs/dbraw/zinc/54/55/57/569545557.db2.gz XBTHNYCJLUVAES-DEOSSOPVSA-N 0 0 434.496 1.400 50 0 IDAARN CCN(C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)[C@H]1CCS(=O)(=O)C1 ZINC000009545917 569546189 /nfs/dbraw/zinc/54/61/89/569546189.db2.gz GGURNLJGYJSXSQ-ORAYPTAESA-N 0 0 438.527 1.194 50 0 IDAARN O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NC[C@@H]1COc2ccccc2O1 ZINC000009548885 569546533 /nfs/dbraw/zinc/54/65/33/569546533.db2.gz QHRMKMRHTGUSFM-VXGBXAGGSA-N 0 0 425.488 1.020 50 0 IDAARN O=C(CSc1nnc([C@@H]2CCS(=O)(=O)C2)o1)NC[C@H]1COc2ccccc2O1 ZINC000009548884 569546582 /nfs/dbraw/zinc/54/65/82/569546582.db2.gz QHRMKMRHTGUSFM-NEPJUHHUSA-N 0 0 425.488 1.020 50 0 IDAARN O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009561710 569547148 /nfs/dbraw/zinc/54/71/48/569547148.db2.gz AYLBDGPFRCIFCI-RDJZCZTQSA-N 0 0 447.465 1.008 50 0 IDAARN O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009561711 569547189 /nfs/dbraw/zinc/54/71/89/569547189.db2.gz AYLBDGPFRCIFCI-WBVHZDCISA-N 0 0 447.465 1.008 50 0 IDAARN CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)cc1OC)c(=O)n2C ZINC000009571733 569547686 /nfs/dbraw/zinc/54/76/86/569547686.db2.gz VGGFTJZLXXEXNW-UHFFFAOYSA-N 0 0 442.472 1.712 50 0 IDAARN CCOc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(Br)cc1)c(=O)n2C ZINC000009571943 569547694 /nfs/dbraw/zinc/54/76/94/569547694.db2.gz YTUQYXQPCDBTPC-UHFFFAOYSA-N 0 0 433.262 1.895 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc3n2CCN3c2ccc(F)cc2)CC1 ZINC000009573953 569547890 /nfs/dbraw/zinc/54/78/90/569547890.db2.gz PHCPTZXYAHVEBY-UHFFFAOYSA-N 0 0 434.497 1.962 50 0 IDAARN COc1ccc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000009575304 569547931 /nfs/dbraw/zinc/54/79/31/569547931.db2.gz VJLTYFFMVZMTRS-MRXNPFEDSA-N 0 0 431.514 1.851 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc3n2CCN3c2ccc(OC)cc2)CC1 ZINC000009574020 569547959 /nfs/dbraw/zinc/54/79/59/569547959.db2.gz QJVWUFWBAMXLBC-UHFFFAOYSA-N 0 0 446.533 1.831 50 0 IDAARN O=C(NCCc1ccc(F)cc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 ZINC000009576796 569548116 /nfs/dbraw/zinc/54/81/16/569548116.db2.gz OTPFKSYAOBMOQA-LJQANCHMSA-N 0 0 449.504 1.038 50 0 IDAARN COc1ccc(CN(C)C(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000009579350 569548504 /nfs/dbraw/zinc/54/85/04/569548504.db2.gz ZIVZJLHPPZHDQA-UHFFFAOYSA-N 0 0 433.530 1.365 50 0 IDAARN CCCCN(C(=O)CSc1nnc2n1CCCCC2)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009579754 569548566 /nfs/dbraw/zinc/54/85/66/569548566.db2.gz RRTYLHDRZJAMIU-UHFFFAOYSA-N 0 0 449.581 1.772 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009579969 569548677 /nfs/dbraw/zinc/54/86/77/569548677.db2.gz OWGZKGAGMQPIRN-IERDGZPVSA-N 0 0 433.530 1.196 50 0 IDAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCC(=O)NCc1ccc(OC)cc1)c2=O ZINC000009589544 569549970 /nfs/dbraw/zinc/54/99/70/569549970.db2.gz AQOHEZSWRMKPNV-UHFFFAOYSA-N 0 0 425.441 1.582 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000009589450 569549973 /nfs/dbraw/zinc/54/99/73/569549973.db2.gz DFZZWKNUIYMYGL-HSZRJFAPSA-N 0 0 441.484 1.838 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1 ZINC000070655987 569550144 /nfs/dbraw/zinc/55/01/44/569550144.db2.gz KDRLQODTYFEBHO-CQSZACIVSA-N 0 0 427.490 1.165 50 0 IDAARN Cn1c(N)c(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000009590977 569550146 /nfs/dbraw/zinc/55/01/46/569550146.db2.gz SFXGRHFTBFPPDT-UHFFFAOYSA-N 0 0 425.285 1.966 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009597058 569550862 /nfs/dbraw/zinc/55/08/62/569550862.db2.gz GJFSDEGOSBRYDC-UHFFFAOYSA-N 0 0 432.498 1.489 50 0 IDAARN O=C(NCc1ccccc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009600441 569551489 /nfs/dbraw/zinc/55/14/89/569551489.db2.gz JWQNNDOKCKNIHN-KRWDZBQOSA-N 0 0 437.905 1.120 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nc(N)n[nH]1 ZINC000009603996 569551840 /nfs/dbraw/zinc/55/18/40/569551840.db2.gz SEUAAGRZVCSSDD-UHFFFAOYSA-N 0 0 440.551 1.691 50 0 IDAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000009609432 569552320 /nfs/dbraw/zinc/55/23/20/569552320.db2.gz PGFDRTVEISPCCL-VVVCHXIZSA-N 0 0 428.488 1.401 50 0 IDAARN COc1ccc(OC)c(NC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)c1 ZINC000009610461 569552518 /nfs/dbraw/zinc/55/25/18/569552518.db2.gz KBFKVAJFFVGEGF-UHFFFAOYSA-N 0 0 426.473 1.838 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 ZINC000009610457 569552530 /nfs/dbraw/zinc/55/25/30/569552530.db2.gz MRTKIUSMLSIVGI-UHFFFAOYSA-N 0 0 438.484 1.997 50 0 IDAARN CN(C)S(=O)(=O)c1cc(NC(=O)COc2ccc(-n3cnnn3)cc2)ccc1Cl ZINC000009613081 569552962 /nfs/dbraw/zinc/55/29/62/569552962.db2.gz HBWKJARCMXILNN-UHFFFAOYSA-N 0 0 436.881 1.584 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000009631939 569553891 /nfs/dbraw/zinc/55/38/91/569553891.db2.gz KBKGHJKDFNCZCL-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN CC[C@@H](C)N(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009634660 569554508 /nfs/dbraw/zinc/55/45/08/569554508.db2.gz BKQNPAHAWGUXCE-UKRRQHHQSA-N 0 0 431.532 1.061 50 0 IDAARN NC(=O)NC(=O)COC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000009637663 569554892 /nfs/dbraw/zinc/55/48/92/569554892.db2.gz HFCGEGNINFGCQT-UHFFFAOYSA-N 0 0 441.465 1.921 50 0 IDAARN NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009643478 569555936 /nfs/dbraw/zinc/55/59/36/569555936.db2.gz CSGLFGKRNUVJML-QGZVFWFLSA-N 0 0 434.456 1.574 50 0 IDAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000009644036 569555984 /nfs/dbraw/zinc/55/59/84/569555984.db2.gz NOCLNVPUEYEYHI-UHFFFAOYSA-N 0 0 448.508 1.628 50 0 IDAARN CC(C)[C@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2ccccc2[nH]1 ZINC000009644898 569556090 /nfs/dbraw/zinc/55/60/90/569556090.db2.gz PUKFPTYNWSLBKQ-KRWDZBQOSA-N 0 0 437.504 1.604 50 0 IDAARN O=C1CCCN1c1ccc(S(=O)(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009645941 569556228 /nfs/dbraw/zinc/55/62/28/569556228.db2.gz LDELONGIPLCKHV-SJORKVTESA-N 0 0 442.559 1.170 50 0 IDAARN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000009646331 569556278 /nfs/dbraw/zinc/55/62/78/569556278.db2.gz DFFTWHOOYUMFIW-LJQANCHMSA-N 0 0 442.479 1.480 50 0 IDAARN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000009660352 569556718 /nfs/dbraw/zinc/55/67/18/569556718.db2.gz ONNLCERFHAFAAH-UHFFFAOYSA-N 0 0 430.490 1.329 50 0 IDAARN CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[nH]c1=O ZINC000009660396 569556744 /nfs/dbraw/zinc/55/67/44/569556744.db2.gz YROQNDNBJMDUSN-UHFFFAOYSA-N 0 0 444.517 1.637 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)cc1 ZINC000009660406 569556798 /nfs/dbraw/zinc/55/67/98/569556798.db2.gz UCQWASCFMQEZPO-CQSZACIVSA-N 0 0 448.483 1.753 50 0 IDAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2N)cc1 ZINC000009661900 569557080 /nfs/dbraw/zinc/55/70/80/569557080.db2.gz NOOMHNKLPMMTMQ-UHFFFAOYSA-N 0 0 446.558 1.948 50 0 IDAARN COc1ccc(C(=O)OCC(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009663737 569557254 /nfs/dbraw/zinc/55/72/54/569557254.db2.gz ZBNSRKQNJGVYCN-UHFFFAOYSA-N 0 0 440.518 1.131 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000009665847 569557655 /nfs/dbraw/zinc/55/76/55/569557655.db2.gz RDJBEFCOUWCMQX-UHFFFAOYSA-N 0 0 427.379 1.844 50 0 IDAARN C[C@]1(c2ccco2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000009666553 569557723 /nfs/dbraw/zinc/55/77/23/569557723.db2.gz VOJFAEVNTVSPJB-MGPUTAFESA-N 0 0 431.470 1.267 50 0 IDAARN COc1ccc(CNC(=O)[C@@H](C)N2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009683095 569560293 /nfs/dbraw/zinc/56/02/93/569560293.db2.gz ISYCDTVQVSFOSE-DMZKTXOQSA-N 0 0 425.441 1.896 50 0 IDAARN O=C([C@@H]1COc2cc(S(=O)(=O)NCCc3ccccc3)ccc2O1)N1CCOCC1 ZINC000009683865 569560427 /nfs/dbraw/zinc/56/04/27/569560427.db2.gz ZZKJRVLQZVOZLB-FQEVSTJZSA-N 0 0 432.498 1.206 50 0 IDAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccc(F)cc1)=NN3CC(=O)c1ccccc1 ZINC000009707562 569561614 /nfs/dbraw/zinc/56/16/14/569561614.db2.gz MDVNAYUMECLBHR-UHFFFAOYSA-N 0 0 446.442 1.680 50 0 IDAARN CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)c1 ZINC000009707744 569561666 /nfs/dbraw/zinc/56/16/66/569561666.db2.gz HPMABTCGIDTUKE-UHFFFAOYSA-N 0 0 435.527 1.798 50 0 IDAARN Nc1c(C(=O)CSc2nnc(NCc3ccccc3)s2)c(=O)[nH]c(=O)n1C1CC1 ZINC000009712732 569562388 /nfs/dbraw/zinc/56/23/88/569562388.db2.gz IGYCDHPSVUUIFZ-UHFFFAOYSA-N 0 0 430.515 1.892 50 0 IDAARN COCCCn1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)c2ccc(F)cc2)c(=O)n1C ZINC000009713197 569562465 /nfs/dbraw/zinc/56/24/65/569562465.db2.gz SDVXBDFPEQXWDC-UHFFFAOYSA-N 0 0 441.463 1.825 50 0 IDAARN CCOCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cc(OC)ccc2OC)n(C)c1=O ZINC000009713128 569562471 /nfs/dbraw/zinc/56/24/71/569562471.db2.gz WXGDWGACOTWSGE-UHFFFAOYSA-N 0 0 441.488 1.809 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2cc(OC)ccc2OC)n(C)c1=O ZINC000009713105 569562475 /nfs/dbraw/zinc/56/24/75/569562475.db2.gz YYDVLOFQGQPWOY-UHFFFAOYSA-N 0 0 441.444 1.027 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccncc2)c1 ZINC000009715718 569563095 /nfs/dbraw/zinc/56/30/95/569563095.db2.gz CTRUEXSAYDQVEA-SFHVURJKSA-N 0 0 430.530 1.284 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3nc(-c4cc(F)ccc4F)cs3)c2c(=O)n(C)c1=O ZINC000009715432 569563111 /nfs/dbraw/zinc/56/31/11/569563111.db2.gz NGSHBWCHCUKMKW-UHFFFAOYSA-N 0 0 432.412 1.474 50 0 IDAARN COc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000009716162 569563169 /nfs/dbraw/zinc/56/31/69/569563169.db2.gz BHDVANRTJYBGSV-UHFFFAOYSA-N 0 0 446.525 1.622 50 0 IDAARN CCn1cc(C(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c(=O)c2ccc(C)nc21 ZINC000009729177 569564221 /nfs/dbraw/zinc/56/42/21/569564221.db2.gz DDBBXIUXSJEQSZ-HSZRJFAPSA-N 0 0 449.467 1.845 50 0 IDAARN CCN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1=O ZINC000009737897 569564834 /nfs/dbraw/zinc/56/48/34/569564834.db2.gz CCAFVROFFNCHDT-UHFFFAOYSA-N 0 0 429.454 1.863 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)N1CCc3sccc3[C@@H]1c1cccs1)c(=O)n2C ZINC000009744378 569565567 /nfs/dbraw/zinc/56/55/67/569565567.db2.gz KEVYOMPMAFRWNA-MRXNPFEDSA-N 0 0 441.538 1.731 50 0 IDAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009750279 569566002 /nfs/dbraw/zinc/56/60/02/569566002.db2.gz LZVOKALYSLEIGZ-MRXNPFEDSA-N 0 0 427.482 1.860 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000009764172 569566683 /nfs/dbraw/zinc/56/66/83/569566683.db2.gz HPWMFRZFHFXDCQ-HXUWFJFHSA-N 0 0 447.488 1.046 50 0 IDAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000009767615 569566944 /nfs/dbraw/zinc/56/69/44/569566944.db2.gz JENPVNPJFWDLIJ-HZPDHXFCSA-N 0 0 436.559 1.759 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCC(=O)NCc3cccnc3)c3ccccc3c2=O)cc1 ZINC000009779738 569567460 /nfs/dbraw/zinc/56/74/60/569567460.db2.gz IZTJGDWJMNUADQ-UHFFFAOYSA-N 0 0 443.463 1.836 50 0 IDAARN C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Br ZINC000009781369 569567537 /nfs/dbraw/zinc/56/75/37/569567537.db2.gz LOLZBFAKDQDLIL-NSHDSACASA-N 0 0 436.310 1.427 50 0 biogenic IDAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCCCn1c(=O)[nH]c2ccccc21 ZINC000009787748 569567951 /nfs/dbraw/zinc/56/79/51/569567951.db2.gz QWMPTYOIRCJZOQ-UHFFFAOYSA-N 0 0 442.497 1.782 50 0 IDAARN Cc1ccc(C2=NN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@@H](c3ccco3)C2)cc1 ZINC000009798442 569568532 /nfs/dbraw/zinc/56/85/32/569568532.db2.gz ZBRSDUCZGKIEHI-QGZVFWFLSA-N 0 0 446.467 1.713 50 0 IDAARN C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009799550 569568629 /nfs/dbraw/zinc/56/86/29/569568629.db2.gz UFBKLWFPYAHLCL-HNNXBMFYSA-N 0 0 442.501 1.853 50 0 IDAARN COc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009806224 569568885 /nfs/dbraw/zinc/56/88/85/569568885.db2.gz OFHSXMSKEOIIAE-SFHVURJKSA-N 0 0 445.541 1.589 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000009806195 569568896 /nfs/dbraw/zinc/56/88/96/569568896.db2.gz MEBYOGOWHVOUOE-IBGZPJMESA-N 0 0 447.532 1.762 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C)c2)cc1 ZINC000009806572 569568919 /nfs/dbraw/zinc/56/89/19/569568919.db2.gz PAVMVJOILHDTEM-KRWDZBQOSA-N 0 0 431.514 1.912 50 0 IDAARN Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 ZINC000009820270 569569388 /nfs/dbraw/zinc/56/93/88/569569388.db2.gz CHSIRJYRMZYOTL-UHFFFAOYSA-N 0 0 436.399 1.815 50 0 IDAARN COc1ccc(OCC(=O)NCCn2ncc3c2ncn(Cc2ccccc2)c3=O)cc1 ZINC000009822613 569569544 /nfs/dbraw/zinc/56/95/44/569569544.db2.gz PPVWNJCLNQCGFB-UHFFFAOYSA-N 0 0 433.468 1.845 50 0 IDAARN O=C(CSc1ncc(CO)n1CC(=O)NC1CCCC1)NCc1ccc2c(c1)OCO2 ZINC000009827600 569569668 /nfs/dbraw/zinc/56/96/68/569569668.db2.gz DOMAKSHVEUQGRD-UHFFFAOYSA-N 0 0 446.529 1.571 50 0 IDAARN O=C(CSc1ncc(CO)n1CC(=O)NC1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000009827589 569569673 /nfs/dbraw/zinc/56/96/73/569569673.db2.gz AZOLSBTUUXOSBP-UHFFFAOYSA-N 0 0 432.502 1.894 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2cc(Cl)ccc2C)n(C)c1=O ZINC000009829420 569570045 /nfs/dbraw/zinc/57/00/45/569570045.db2.gz HOROVUMKMCWCBL-UHFFFAOYSA-N 0 0 429.864 1.972 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C ZINC000009835144 569570604 /nfs/dbraw/zinc/57/06/04/569570604.db2.gz MABJSGRLGQMEAA-UHFFFAOYSA-N 0 0 449.529 1.759 50 0 IDAARN C[C@@H]1C[C@@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)O1 ZINC000009871027 569572382 /nfs/dbraw/zinc/57/23/82/569572382.db2.gz KMBMWDXHEFUZNW-BXUZGUMPSA-N 0 0 425.488 1.554 50 0 IDAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)cc1 ZINC000009884487 569572730 /nfs/dbraw/zinc/57/27/30/569572730.db2.gz QLKWSLFVWRKVJZ-UHFFFAOYSA-N 0 0 440.485 1.652 50 0 IDAARN O=C([O-])[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000071279139 569573498 /nfs/dbraw/zinc/57/34/98/569573498.db2.gz YXMCCJQAAGIHKE-KRWDZBQOSA-N 0 0 440.500 1.700 50 0 IDAARN COCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(CCc2ccccc2)c1=O ZINC000009937942 569573843 /nfs/dbraw/zinc/57/38/43/569573843.db2.gz AGHFPXKFSBMYGX-UHFFFAOYSA-N 0 0 441.484 1.186 50 0 IDAARN Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009952416 569574567 /nfs/dbraw/zinc/57/45/67/569574567.db2.gz NAPBNODFUIMMLA-CABCVRRESA-N 0 0 439.563 1.605 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3c(N4CCC[C@H](C)C4)nccn3c2=O)c(OC)c1 ZINC000071328209 569575521 /nfs/dbraw/zinc/57/55/21/569575521.db2.gz DZEQVLQPVBYHCK-AWEZNQCLSA-N 0 0 426.477 1.783 50 0 IDAARN CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(C(=O)OCC)c1C ZINC000009962760 569575698 /nfs/dbraw/zinc/57/56/98/569575698.db2.gz QRHXGZYSACIMPI-GFCCVEGCSA-N 0 0 446.547 1.467 50 0 IDAARN CC(C)[C@@H](OC(=O)c1ccccc1S[C@@H](C(=O)NC(N)=O)C(C)C)C(=O)NC(N)=O ZINC000009963314 569575751 /nfs/dbraw/zinc/57/57/51/569575751.db2.gz 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COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000015822344 524049938 /nfs/dbraw/zinc/04/99/38/524049938.db2.gz KEYAXWZCHFJPGN-UHFFFAOYSA-N 0 0 433.486 1.271 50 0 IDAARN COc1ccc(CNC(=O)CNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)cc1 ZINC000021782246 524051924 /nfs/dbraw/zinc/05/19/24/524051924.db2.gz VSRAFSQYHQERPO-DEOSSOPVSA-N 0 0 434.496 1.927 50 0 IDAARN COc1ccc(CNC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1OC ZINC000023135149 524057634 /nfs/dbraw/zinc/05/76/34/524057634.db2.gz CFHKQENNWPFQJA-UHFFFAOYSA-N 0 0 437.504 1.707 50 0 IDAARN Cc1ccc(C)c(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021528790 524119340 /nfs/dbraw/zinc/11/93/40/524119340.db2.gz CXVDVVIFCXVOHF-QFIPXVFZSA-N 0 0 429.542 1.987 50 0 IDAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc4[nH]c(=O)c(=O)[nH]c4cc3C)CC2)c1 ZINC000020932937 524127108 /nfs/dbraw/zinc/12/71/08/524127108.db2.gz WWSUVCXVMWYWJG-UHFFFAOYSA-N 0 0 428.514 1.653 50 0 IDAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)N[C@@H](C)c4ccccc4)CN3C2=O)cc1 ZINC000014747893 524142112 /nfs/dbraw/zinc/14/21/12/524142112.db2.gz RDRIXEVRRJARRM-HGWQEYRNSA-N 0 0 436.512 1.766 50 0 IDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(CCNS(C)(=O)=O)s1)C2=O ZINC000012813035 524152905 /nfs/dbraw/zinc/15/29/05/524152905.db2.gz NSQVMZZEIWPYIX-KZULUSFZSA-N 0 0 427.548 1.523 50 0 IDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(n3c4ccccc4[nH]c3=O)CC1)C2=O ZINC000012592287 524153490 /nfs/dbraw/zinc/15/34/90/524153490.db2.gz FFCMNLAYBIJKFU-IQMFZBJNSA-N 0 0 439.516 1.994 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NC3CCN(S(C)(=O)=O)CC3)CCCC2)c1 ZINC000029825408 524184259 /nfs/dbraw/zinc/18/42/59/524184259.db2.gz AHUKUQRBYZJRTA-UHFFFAOYSA-N 0 0 442.603 1.930 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)c1 ZINC000015927911 524189105 /nfs/dbraw/zinc/18/91/05/524189105.db2.gz BBMXJMWVCZHKJK-UHFFFAOYSA-N 0 0 429.542 1.956 50 0 IDAARN Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000021535987 524223975 /nfs/dbraw/zinc/22/39/75/524223975.db2.gz OVBCNJPFRGOVEY-UHFFFAOYSA-N 0 0 447.586 1.923 50 0 IDAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)NCCCN3CCOCC3)c2)C1 ZINC000020664148 524243105 /nfs/dbraw/zinc/24/31/05/524243105.db2.gz XWVJQYLUNILCQH-MRXNPFEDSA-N 0 0 427.542 1.698 50 0 IDAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000035286804 524259946 /nfs/dbraw/zinc/25/99/46/524259946.db2.gz GQQBONDFOFRLKQ-INIZCTEOSA-N 0 0 434.562 1.352 50 0 IDAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000012789859 524272247 /nfs/dbraw/zinc/27/22/47/524272247.db2.gz BJBYCRHIGFLNFK-UHFFFAOYSA-N 0 0 436.468 1.935 50 0 IDAARN COc1ccccc1-c1nc2cc(=O)[nH]n2c(SCC(=O)Nc2nnc(C)s2)n1 ZINC000021537280 524281442 /nfs/dbraw/zinc/28/14/42/524281442.db2.gz IUOIWIFOBUGCPH-UHFFFAOYSA-N 0 0 429.487 1.984 50 0 IDAARN COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000022851217 524325858 /nfs/dbraw/zinc/32/58/58/524325858.db2.gz QVZRXTUJHXAAPG-MRXNPFEDSA-N 0 0 438.477 1.915 50 0 IDAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022313743 524358582 /nfs/dbraw/zinc/35/85/82/524358582.db2.gz LRPBJOVMLPVKJP-GOSISDBHSA-N 0 0 448.614 1.913 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528727 524390544 /nfs/dbraw/zinc/39/05/44/524390544.db2.gz GDBCBSIJIQZSRP-NRFANRHFSA-N 0 0 431.514 1.379 50 0 IDAARN COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)nn1 ZINC000012440269 524419693 /nfs/dbraw/zinc/41/96/93/524419693.db2.gz CWSDDHPGXAWTCC-UHFFFAOYSA-N 0 0 445.545 1.622 50 0 IDAARN COc1ccccc1CCNS(=O)(=O)c1c2c(c(OC)c3c1CCN(C)C3=O)OCO2 ZINC000263585910 524421808 /nfs/dbraw/zinc/42/18/08/524421808.db2.gz NTLHJDBWNALCFG-UHFFFAOYSA-N 0 0 448.497 1.582 50 0 biogenic IDAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2=O)cc1 ZINC000020724482 524443609 /nfs/dbraw/zinc/44/36/09/524443609.db2.gz YRDDYUNWICCVEL-HNNXBMFYSA-N 0 0 449.554 1.643 50 0 IDAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1OC ZINC000020530291 524479439 /nfs/dbraw/zinc/47/94/39/524479439.db2.gz WIEHEJRYSKKTCQ-UHFFFAOYSA-N 0 0 431.470 1.852 50 0 IDAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(OC)c1 ZINC000020530293 524480281 /nfs/dbraw/zinc/48/02/81/524480281.db2.gz WYVTXQODBPBLAT-UHFFFAOYSA-N 0 0 431.470 1.852 50 0 IDAARN Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)cc1 ZINC000035452582 524502197 /nfs/dbraw/zinc/50/21/97/524502197.db2.gz MYCRUMWCGIGNSR-HNNXBMFYSA-N 0 0 431.514 1.960 50 0 IDAARN COc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCCCC1 ZINC000012631848 524503845 /nfs/dbraw/zinc/50/38/45/524503845.db2.gz WWCHOXIARLDUIR-UHFFFAOYSA-N 0 0 447.513 1.986 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2Cc2cccc(C)c2)cc1 ZINC000021529124 524545437 /nfs/dbraw/zinc/54/54/37/524545437.db2.gz WKFRHBNLTLVKNH-HSZRJFAPSA-N 0 0 443.569 1.982 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2nc(C(=O)Nc3ccccc3)ccc2=O)CC1 ZINC000041265779 524547207 /nfs/dbraw/zinc/54/72/07/524547207.db2.gz XEVQHVIGVJAOST-UHFFFAOYSA-N 0 0 447.495 1.853 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2CCc2ccccc2)cc1 ZINC000021529130 524554286 /nfs/dbraw/zinc/55/42/86/524554286.db2.gz GEEYMXSDUIWLDP-QHCPKHFHSA-N 0 0 443.569 1.716 50 0 IDAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCc3ccc(C)o3)n2)CC1 ZINC000035375455 524564367 /nfs/dbraw/zinc/56/43/67/524564367.db2.gz XYLBSMSWLBCGAV-UHFFFAOYSA-N 0 0 437.500 1.796 50 0 IDAARN Cc1cccc(NC(=O)CNC(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c1C ZINC000012542510 524597292 /nfs/dbraw/zinc/59/72/92/524597292.db2.gz PPJTUIJZOBMKSY-UHFFFAOYSA-N 0 0 436.559 1.796 50 0 IDAARN COc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012600387 524624309 /nfs/dbraw/zinc/62/43/09/524624309.db2.gz LYNQNHMSKAAFGN-UHFFFAOYSA-N 0 0 443.481 1.810 50 0 IDAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c(OC)c1 ZINC000012029792 524637142 /nfs/dbraw/zinc/63/71/42/524637142.db2.gz AABHLNIFXUNHBC-MRXNPFEDSA-N 0 0 439.511 1.917 50 0 IDAARN COc1ccccc1OCC(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000012163179 524659565 /nfs/dbraw/zinc/65/95/65/524659565.db2.gz SATKRPHQIRPBAK-UHFFFAOYSA-N 0 0 448.545 1.127 50 0 IDAARN Cc1cc(CN2CCN([C@H](C)C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)on1 ZINC000022252581 524695596 /nfs/dbraw/zinc/69/55/96/524695596.db2.gz LJUYMADPPPMMPQ-QGZVFWFLSA-N 0 0 449.577 1.687 50 0 IDAARN Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)c1 ZINC000012445081 524716134 /nfs/dbraw/zinc/71/61/34/524716134.db2.gz JEZRXSBLKZNPSM-UHFFFAOYSA-N 0 0 431.558 1.950 50 0 IDAARN COc1ccccc1[C@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1nccn1C ZINC000012525176 524795534 /nfs/dbraw/zinc/79/55/34/524795534.db2.gz FFTICMKVAZRGGC-FQEVSTJZSA-N 0 0 433.468 1.728 50 0 IDAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000015822208 524850525 /nfs/dbraw/zinc/85/05/25/524850525.db2.gz RBVCFCZPFISKNU-UHFFFAOYSA-N 0 0 449.485 1.602 50 0 IDAARN C[C@@H]1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C[C@H](C)O1 ZINC000012562407 524860528 /nfs/dbraw/zinc/86/05/28/524860528.db2.gz FYIMWSZNJAFECY-BETUJISGSA-N 0 0 447.351 1.719 50 0 IDAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCCC4)c3)C2)c1 ZINC000015734672 524895929 /nfs/dbraw/zinc/89/59/29/524895929.db2.gz OWZAINDIZVYMNX-MRXNPFEDSA-N 0 0 448.545 1.701 50 0 IDAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCCN2CCOCC2)c1 ZINC000020454391 524925367 /nfs/dbraw/zinc/92/53/67/524925367.db2.gz KCAGSTAENSVPRL-UHFFFAOYSA-N 0 0 445.560 1.927 50 0 IDAARN COc1ccc(OCC(=O)NCCn2cc(C(=O)Nc3cccc(OC)c3)nn2)cc1 ZINC000014968948 524931479 /nfs/dbraw/zinc/93/14/79/524931479.db2.gz IADYVTBZECBDTK-UHFFFAOYSA-N 0 0 425.445 1.743 50 0 IDAARN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 ZINC000012819945 524949253 /nfs/dbraw/zinc/94/92/53/524949253.db2.gz OEPKLDBXGFRPCJ-LFVRLGFBSA-N 0 0 437.452 1.865 50 0 IDAARN Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000020744285 524950174 /nfs/dbraw/zinc/95/01/74/524950174.db2.gz PQHAJKGZLKLCGN-UHFFFAOYSA-N 0 0 431.470 1.519 50 0 IDAARN COc1ccc(OCCN2CCN(C(=O)CNC(=O)c3cc(Cl)ccn3)CC2)cc1 ZINC000012795722 524953933 /nfs/dbraw/zinc/95/39/33/524953933.db2.gz LAYGNRVTLAPJOZ-UHFFFAOYSA-N 0 0 432.908 1.697 50 0 IDAARN COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000022916521 524957610 /nfs/dbraw/zinc/95/76/10/524957610.db2.gz ZZSSUAKLPNEEPY-HNNXBMFYSA-N 0 0 432.546 1.879 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000012804220 524985475 /nfs/dbraw/zinc/98/54/75/524985475.db2.gz LZQXPEKVQAUEAK-HUUCEWRRSA-N 0 0 445.497 1.566 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)c2ccnc(C(=O)NCCCN3CCOCC3)c2)cc1 ZINC000020532889 525008789 /nfs/dbraw/zinc/00/87/89/525008789.db2.gz IYUNXHNCYQULLV-UHFFFAOYSA-N 0 0 448.545 1.367 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(-n4cncn4)nc3)CC2)cc1 ZINC000012528422 525019922 /nfs/dbraw/zinc/01/99/22/525019922.db2.gz VNPUBJAMBHQHRZ-UHFFFAOYSA-N 0 0 442.501 1.710 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1OC ZINC000035432469 525023048 /nfs/dbraw/zinc/02/30/48/525023048.db2.gz GBQIRSLDVVGASD-UHFFFAOYSA-N 0 0 429.498 1.804 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC ZINC000018130119 525034768 /nfs/dbraw/zinc/03/47/68/525034768.db2.gz GDBAJFXFDSTMBI-UHFFFAOYSA-N 0 0 447.513 1.809 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000022733016 525036335 /nfs/dbraw/zinc/03/63/35/525036335.db2.gz JAAXRZNEJJNNQI-UHFFFAOYSA-N 0 0 439.484 1.710 50 0 IDAARN COc1ncccc1C(=O)N1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 ZINC000014986814 525037544 /nfs/dbraw/zinc/03/75/44/525037544.db2.gz FIODKAYXKYATGW-QAPCUYQASA-N 0 0 442.520 1.230 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1 ZINC000012736821 525039930 /nfs/dbraw/zinc/03/99/30/525039930.db2.gz OXQHTYJJKJBWDN-UHFFFAOYSA-N 0 0 428.518 1.799 50 0 IDAARN Cc1ccc(NC(=O)CN2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000022782948 525052975 /nfs/dbraw/zinc/05/29/75/525052975.db2.gz GIDQEBXXFRISPK-UHFFFAOYSA-N 0 0 430.574 1.838 50 0 IDAARN Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000019127168 525062921 /nfs/dbraw/zinc/06/29/21/525062921.db2.gz HJVIVVSFBOVBAN-JOCHJYFZSA-N 0 0 428.489 1.797 50 0 IDAARN CS(=O)(=O)CC[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1Cc2ccccc2C1=O ZINC000020531463 525129995 /nfs/dbraw/zinc/12/99/95/525129995.db2.gz BVXDVZVHKMINSG-IBGZPJMESA-N 0 0 442.541 1.190 50 0 IDAARN Cc1cc(NC(=O)COC(=O)/C=C\c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)no1 ZINC000033579052 525150551 /nfs/dbraw/zinc/15/05/51/525150551.db2.gz QPRNFMVEQPDBJG-VSQXVHSFSA-N 0 0 442.881 1.696 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000012407926 525173073 /nfs/dbraw/zinc/17/30/73/525173073.db2.gz MKJNGVFLNQUJFC-UHFFFAOYSA-N 0 0 440.953 1.364 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)s1 ZINC000022701895 525197756 /nfs/dbraw/zinc/19/77/56/525197756.db2.gz DDKJQSDVWNRUNS-UHFFFAOYSA-N 0 0 430.577 1.381 50 0 IDAARN C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccc(F)cc1 ZINC000021528805 525212586 /nfs/dbraw/zinc/21/25/86/525212586.db2.gz KWLQVKSZZNOVKR-OAQYLSRUSA-N 0 0 433.505 1.505 50 0 IDAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCN(c4ccccn4)CC3)n2)cc1 ZINC000035482030 525237393 /nfs/dbraw/zinc/23/73/93/525237393.db2.gz NZBKDCAZJIRMJJ-UHFFFAOYSA-N 0 0 446.511 1.938 50 0 IDAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OC ZINC000012738360 525248954 /nfs/dbraw/zinc/24/89/54/525248954.db2.gz ULTZCFXMQYWGDA-INIZCTEOSA-N 0 0 426.516 1.877 50 0 IDAARN CS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000021839342 525284655 /nfs/dbraw/zinc/28/46/55/525284655.db2.gz QCLILDHEGGGPMN-UHFFFAOYSA-N 0 0 432.527 1.486 50 0 IDAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000020511093 525291593 /nfs/dbraw/zinc/29/15/93/525291593.db2.gz UNCBBGUXLQUIQA-GPABEBMESA-N 0 0 439.622 1.997 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)C1=O ZINC000022804432 525331588 /nfs/dbraw/zinc/33/15/88/525331588.db2.gz DSSBMTFRFIPDBP-FPVCCHAOSA-N 0 0 447.539 1.816 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)Cc2cccc3ccccc32)C1=O ZINC000012814901 525332912 /nfs/dbraw/zinc/33/29/12/525332912.db2.gz JVEJWEMSHKCPSH-XMMPIXPASA-N 0 0 430.464 1.997 50 0 IDAARN COc1ccc([C@H](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)NC(C)=O)cc1 ZINC000023463484 525342796 /nfs/dbraw/zinc/34/27/96/525342796.db2.gz SCFMWADHXBBVHJ-IBGZPJMESA-N 0 0 437.504 1.288 50 0 IDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000012865042 525385366 /nfs/dbraw/zinc/38/53/66/525385366.db2.gz IZSVJILAPNDIHA-GASCZTMLSA-N 0 0 435.999 1.869 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000013567093 525396960 /nfs/dbraw/zinc/39/69/60/525396960.db2.gz GEKWBKDYRBJFDO-UHFFFAOYSA-N 0 0 448.497 1.440 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)o1 ZINC000035597126 525401505 /nfs/dbraw/zinc/40/15/05/525401505.db2.gz ZKDQDZJLFOGONX-UHFFFAOYSA-N 0 0 445.457 1.042 50 0 IDAARN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 ZINC000012764011 525405185 /nfs/dbraw/zinc/40/51/85/525405185.db2.gz YAGKPCZIAONRLQ-GFCCVEGCSA-N 0 0 445.950 1.699 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000035401849 525431472 /nfs/dbraw/zinc/43/14/72/525431472.db2.gz MRCPGNNGRZIBHC-YOEHRIQHSA-N 0 0 441.532 1.716 50 0 IDAARN Cc1cccn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)nc12 ZINC000023718399 525461135 /nfs/dbraw/zinc/46/11/35/525461135.db2.gz CWDRKZRSAVJVIW-UHFFFAOYSA-N 0 0 438.553 1.998 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCN(c2ncccn2)CC1 ZINC000021848119 525494174 /nfs/dbraw/zinc/49/41/74/525494174.db2.gz JNOZPPQXRVSGFI-MRXNPFEDSA-N 0 0 432.550 1.185 50 0 IDAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccccn3)ccc2N1C(=O)C1CC1 ZINC000020529637 525521557 /nfs/dbraw/zinc/52/15/57/525521557.db2.gz PDEPHTJVXMEUJT-OAHLLOKOSA-N 0 0 442.541 1.754 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C(=O)N(C)C)cc3)CC2)cc1 ZINC000012543481 525539056 /nfs/dbraw/zinc/53/90/56/525539056.db2.gz WURVJZHVNGXENQ-UHFFFAOYSA-N 0 0 444.557 1.642 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCCCCC3=O)CC2)cc1 ZINC000012907319 525539153 /nfs/dbraw/zinc/53/91/53/525539153.db2.gz HLDQRTUDJUTPTG-UHFFFAOYSA-N 0 0 436.578 1.804 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(N)s1 ZINC000012555379 525548966 /nfs/dbraw/zinc/54/89/66/525548966.db2.gz ACDZHNRKDSGFPN-UHFFFAOYSA-N 0 0 429.549 1.180 50 0 IDAARN Cc1c(C(=O)N(C)C[C@H](O)CO)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000012217490 525557182 /nfs/dbraw/zinc/55/71/82/525557182.db2.gz HXYZTBAXROIACK-ZDUSSCGKSA-N 0 0 430.486 1.766 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(CN3CCOCC3)cs2)cc1C ZINC000022701321 525566852 /nfs/dbraw/zinc/56/68/52/525566852.db2.gz JATIKTZADYBABU-UHFFFAOYSA-N 0 0 438.575 1.899 50 0 IDAARN Cc1ccn2c(c1)nc(C)c(Cc1nnc(SCC(=O)NC[C@@H]3CCCO3)n1C)c2=O ZINC000015859219 525609945 /nfs/dbraw/zinc/60/99/45/525609945.db2.gz UDOIYBUBVRHCNJ-HNNXBMFYSA-N 0 0 442.545 1.418 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)O[C@H](C)C(=O)N2 ZINC000021727962 525616219 /nfs/dbraw/zinc/61/62/19/525616219.db2.gz FPQXKQARSXSWBD-CYBMUJFWSA-N 0 0 425.507 1.956 50 0 IDAARN Cc1ccnc(-n2c(SCC(=O)O[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c1 ZINC000017101678 525631538 /nfs/dbraw/zinc/63/15/38/525631538.db2.gz FOFREMLKIXFGOD-CQSZACIVSA-N 0 0 445.522 1.912 50 0 IDAARN Cc1c(C)n(-c2ccc(C)cc2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000020533340 525676001 /nfs/dbraw/zinc/67/60/01/525676001.db2.gz CZBMRGBQASFIIU-UHFFFAOYSA-N 0 0 436.516 1.396 50 0 IDAARN Cc1c(N2CCN(C(=O)COc3ccccc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000021885933 525823495 /nfs/dbraw/zinc/82/34/95/525823495.db2.gz QSDCYITZUOPZKT-UHFFFAOYSA-N 0 0 434.496 1.572 50 0 IDAARN C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1=O ZINC000023717399 525824049 /nfs/dbraw/zinc/82/40/49/525824049.db2.gz SOWIAVRBKUIHBD-NRFANRHFSA-N 0 0 432.546 1.160 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000012786764 525833041 /nfs/dbraw/zinc/83/30/41/525833041.db2.gz PLUXXDBIKXXMNK-GOSISDBHSA-N 0 0 433.468 1.586 50 0 IDAARN Cc1c(NC(=O)COc2nsnc2N2CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000012372095 525836473 /nfs/dbraw/zinc/83/64/73/525836473.db2.gz VVNZOKCTCXNQQL-UHFFFAOYSA-N 0 0 430.490 1.190 50 0 IDAARN C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCC1 ZINC000020822221 525843797 /nfs/dbraw/zinc/84/37/97/525843797.db2.gz GORPBNYZKORCSS-BONVTDFDSA-N 0 0 439.317 1.187 50 0 IDAARN C[C@H](OC(=O)C1=NN(c2ccccc2)C(=O)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009661905 525877682 /nfs/dbraw/zinc/87/76/82/525877682.db2.gz GZPFXPLEYUWGAP-ZDUSSCGKSA-N 0 0 444.469 1.387 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)C1=O ZINC000022804425 525903037 /nfs/dbraw/zinc/90/30/37/525903037.db2.gz DSSBMTFRFIPDBP-HGJFNOKFSA-N 0 0 447.539 1.816 50 0 IDAARN C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022787360 525943568 /nfs/dbraw/zinc/94/35/68/525943568.db2.gz QRCJAQPSJVAUKS-WIYYLYMNSA-N 0 0 429.586 1.991 50 0 IDAARN COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCC2CCOCC2)c1OC ZINC000012297957 525948454 /nfs/dbraw/zinc/94/84/54/525948454.db2.gz WNRZWOQUAYCHFH-IBGZPJMESA-N 0 0 433.549 1.669 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)c1 ZINC000035425709 525978879 /nfs/dbraw/zinc/97/88/79/525978879.db2.gz JYPDXFZVBVHDHM-UHFFFAOYSA-N 0 0 448.483 1.206 50 0 IDAARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000022783805 526147629 /nfs/dbraw/zinc/14/76/29/526147629.db2.gz MCGFVBXDIUREBC-MRXNPFEDSA-N 0 0 428.537 1.203 50 0 IDAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C[C@H](C)O2 ZINC000020466060 526166132 /nfs/dbraw/zinc/16/61/32/526166132.db2.gz MTFJOFFCLKNTMR-INIZCTEOSA-N 0 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Cc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n(C)n1 ZINC000020600800 526246423 /nfs/dbraw/zinc/24/64/23/526246423.db2.gz FHZMNAAYXZLYJT-LJQANCHMSA-N 0 0 425.533 1.880 50 0 IDAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(n3c4ccccc4[nH]c3=O)CC1)C2=O ZINC000012592293 526259695 /nfs/dbraw/zinc/25/96/95/526259695.db2.gz FFCMNLAYBIJKFU-NPMXOYFQSA-N 0 0 439.516 1.994 50 0 IDAARN O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1cc2ccccc2o1 ZINC000012164578 526268345 /nfs/dbraw/zinc/26/83/45/526268345.db2.gz JASZERXDWWMWDY-UHFFFAOYSA-N 0 0 429.502 1.495 50 0 IDAARN O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000012080730 526274585 /nfs/dbraw/zinc/27/45/85/526274585.db2.gz WVDSSQHABJBYDJ-FQEVSTJZSA-N 0 0 439.468 1.079 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000012891955 526303887 /nfs/dbraw/zinc/30/38/87/526303887.db2.gz CDYLWMFAGLFKAX-MBVDDHJVSA-N 0 0 440.953 1.299 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)NCC(F)(F)F 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O=C(CCNC(=O)NCc1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012928110 526501624 /nfs/dbraw/zinc/50/16/24/526501624.db2.gz RKRMUUXRDWDUNS-UHFFFAOYSA-N 0 0 448.520 1.548 50 0 IDAARN O=C(CCNC(=O)c1ccccc1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015946888 526505343 /nfs/dbraw/zinc/50/53/43/526505343.db2.gz NQPYRCKGVGBOPZ-UHFFFAOYSA-N 0 0 435.477 1.605 50 0 IDAARN O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1)N1CCOCC1 ZINC000035362685 526522841 /nfs/dbraw/zinc/52/28/41/526522841.db2.gz SBPHNQAEXJPHEO-IBGZPJMESA-N 0 0 435.571 1.655 50 0 IDAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000023990025 526523762 /nfs/dbraw/zinc/52/37/62/526523762.db2.gz IAIQALSJGQGBNZ-GOSISDBHSA-N 0 0 433.530 1.815 50 0 IDAARN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000020744758 526525888 /nfs/dbraw/zinc/52/58/88/526525888.db2.gz XBDORVPCMDEMSK-INIZCTEOSA-N 0 0 431.489 1.712 50 0 IDAARN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020730101 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438.435 1.586 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)cc(F)c3)CC2)cc1C(N)=O ZINC000012785925 527282527 /nfs/dbraw/zinc/28/25/27/527282527.db2.gz PQASTXAYLOXOFZ-UHFFFAOYSA-N 0 0 426.445 1.442 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)cc1C(N)=O ZINC000012821709 527282647 /nfs/dbraw/zinc/28/26/47/527282647.db2.gz DNEYOLYDHAITHV-UHFFFAOYSA-N 0 0 438.937 1.495 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1C(N)=O ZINC000012900725 527284207 /nfs/dbraw/zinc/28/42/07/527284207.db2.gz SIKGHIQQHRFMJU-UHFFFAOYSA-N 0 0 444.435 1.290 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000036007370 527285293 /nfs/dbraw/zinc/28/52/93/527285293.db2.gz GILFZVOFUGMNRJ-UHFFFAOYSA-N 0 0 447.439 1.264 50 0 IDAARN O=C(Cc1ccccc1Cl)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 ZINC000077100236 527288071 /nfs/dbraw/zinc/28/80/71/527288071.db2.gz XDKBHUPQWRXDKR-UHFFFAOYSA-N 0 0 426.864 1.542 50 0 IDAARN O=S(=O)(c1cccnc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000021010904 527291625 /nfs/dbraw/zinc/29/16/25/527291625.db2.gz VLMADJDZHQFZOT-UHFFFAOYSA-N 0 0 440.464 1.256 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Br)ccc2O)c1 ZINC000022250410 527321455 /nfs/dbraw/zinc/32/14/55/527321455.db2.gz DALDNRHDQDYGAO-UHFFFAOYSA-N 0 0 429.248 1.598 50 0 IDAARN O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)NCCCN1CCOCC1 ZINC000021944213 527360808 /nfs/dbraw/zinc/36/08/08/527360808.db2.gz IWVKMOZPWBKLJV-UHFFFAOYSA-N 0 0 436.512 1.050 50 0 IDAARN O=C(Cn1cc(C(=O)C(=O)NCCCN2CCOCC2)c2ccccc21)N1CCCCC1 ZINC000022628388 527365928 /nfs/dbraw/zinc/36/59/28/527365928.db2.gz FYUNXUCICLZYIL-UHFFFAOYSA-N 0 0 440.544 1.675 50 0 IDAARN Cn1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)n1 ZINC000012159604 527371611 /nfs/dbraw/zinc/37/16/11/527371611.db2.gz FSMTYAMADWYQGP-SFHVURJKSA-N 0 0 431.518 1.277 50 0 IDAARN Cn1cccc1-c1cc2n(n1)CCCN2C(=O)CCC(=O)NCCCN1CCCC1=O ZINC000021532970 527383031 /nfs/dbraw/zinc/38/30/31/527383031.db2.gz AEIYGTURSPQQHF-UHFFFAOYSA-N 0 0 426.521 1.534 50 0 IDAARN O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)NCc1ccc2c(c1)OCO2 ZINC000035506038 527392743 /nfs/dbraw/zinc/39/27/43/527392743.db2.gz AGKAUSZLVOKKAZ-UHFFFAOYSA-N 0 0 446.419 1.937 50 0 IDAARN O=C(Nc1ccccc1)c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000001115965 527398601 /nfs/dbraw/zinc/39/86/01/527398601.db2.gz MIYOWJCOSDRTJG-UHFFFAOYSA-N 0 0 431.514 1.796 50 0 IDAARN O=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NC1CCCC1 ZINC000035483626 527416962 /nfs/dbraw/zinc/41/69/62/527416962.db2.gz SWXHOWBWKOIMBD-UHFFFAOYSA-N 0 0 440.319 1.897 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)c1=O)NC1CC1 ZINC000077100222 527430623 /nfs/dbraw/zinc/43/06/23/527430623.db2.gz PLNSBJNKDUZICK-UHFFFAOYSA-N 0 0 430.827 1.752 50 0 IDAARN Cn1ccnc1[C@@H](NC(=O)CNC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000012507630 527451605 /nfs/dbraw/zinc/45/16/05/527451605.db2.gz ZOBFRTAFUXDKMZ-SFHVURJKSA-N 0 0 445.932 1.887 50 0 IDAARN O=C(NC1=NCCS1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012914350 527480234 /nfs/dbraw/zinc/48/02/34/527480234.db2.gz TUEICEURFXVVBU-UHFFFAOYSA-N 0 0 434.337 1.303 50 0 IDAARN O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000012815040 527486248 /nfs/dbraw/zinc/48/62/48/527486248.db2.gz IFUBLIDPZCRZTH-UHFFFAOYSA-N 0 0 446.554 1.858 50 0 IDAARN Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000035510711 527534005 /nfs/dbraw/zinc/53/40/05/527534005.db2.gz XNWCRSHWPNGAMH-UHFFFAOYSA-N 0 0 431.504 1.603 50 0 IDAARN O=C(NC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)c1ccccc1 ZINC000022195758 527535108 /nfs/dbraw/zinc/53/51/08/527535108.db2.gz DYSGHQPMBMGEGE-UHFFFAOYSA-N 0 0 430.530 1.501 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012764306 527538262 /nfs/dbraw/zinc/53/82/62/527538262.db2.gz NBEOQHNYNOHSOL-UHFFFAOYSA-N 0 0 444.499 1.697 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1nnc2ccccc2c1=O ZINC000016274648 527543858 /nfs/dbraw/zinc/54/38/58/527543858.db2.gz AGPPYELWAGZNIO-UHFFFAOYSA-N 0 0 432.440 1.776 50 0 IDAARN Nc1ncnc2sc3c(c21)CCN(C(=O)CCNS(=O)(=O)c1ccccc1F)C3 ZINC000012606113 527576756 /nfs/dbraw/zinc/57/67/56/527576756.db2.gz YUEDOBDGNAENJE-UHFFFAOYSA-N 0 0 435.506 1.666 50 0 IDAARN Nc1nnnn1Cc1nnc(S(=O)(=O)Cc2ccccc2Cl)n1-c1ccccc1 ZINC000012377099 527578583 /nfs/dbraw/zinc/57/85/83/527578583.db2.gz KEYXSMCRBBEZJR-UHFFFAOYSA-N 0 0 430.881 1.512 50 0 IDAARN Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000012888118 527608651 /nfs/dbraw/zinc/60/86/51/527608651.db2.gz HQVRXDRYQUHIOY-UHFFFAOYSA-N 0 0 441.351 1.946 50 0 IDAARN Cc1nn(C)c(C)c1NC(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C ZINC000012760345 527647287 /nfs/dbraw/zinc/64/72/87/527647287.db2.gz UDERZQRHECZDFI-UHFFFAOYSA-N 0 0 445.549 1.536 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000035893755 527672420 /nfs/dbraw/zinc/67/24/20/527672420.db2.gz HEJOCFWGJPBAMR-RBBKRZOGSA-N 0 0 436.560 1.183 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1 ZINC000013009294 535391202 /nfs/dbraw/zinc/39/12/02/535391202.db2.gz CTGHFJLFZOAVEE-UHFFFAOYSA-N 0 0 428.518 1.880 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCN(c3ncccn3)CC2)c1 ZINC000013041024 535630243 /nfs/dbraw/zinc/63/02/43/535630243.db2.gz BYLJXGSJHNJMDG-UHFFFAOYSA-N 0 0 446.577 1.576 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=N2)cc1 ZINC000008758139 535694398 /nfs/dbraw/zinc/69/43/98/535694398.db2.gz PSWZIPVVEBMRAL-FQEVSTJZSA-N 0 0 449.511 1.869 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(Cl)c2)n(C)c1=O ZINC000010104852 535762144 /nfs/dbraw/zinc/76/21/44/535762144.db2.gz POGXOUPABFLQSO-UHFFFAOYSA-N 0 0 431.880 1.963 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O ZINC000013776695 535762244 /nfs/dbraw/zinc/76/22/44/535762244.db2.gz RYOURFHFWKVPNV-OAHLLOKOSA-N 0 0 425.489 1.864 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000009608845 536112701 /nfs/dbraw/zinc/11/27/01/536112701.db2.gz KRALWQDGEJSKEL-UHFFFAOYSA-N 0 0 444.561 1.290 50 0 IDAARN CN1C(=O)N(C)C(=O)C2(Cc3c(=O)n4ccccc4nc3N(C)[C@@H]2c2ccccc2)C1=O ZINC000002347655 536320198 /nfs/dbraw/zinc/32/01/98/536320198.db2.gz DCHVATICDBIEBC-QGZVFWFLSA-N 0 0 431.452 1.465 50 0 IDAARN COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000013041655 537046146 /nfs/dbraw/zinc/04/61/46/537046146.db2.gz AFGUZZRNTYYFKO-UHFFFAOYSA-N 0 0 433.530 1.712 50 0 IDAARN Cn1c2nc(N3CCCCC3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000626089 555512630 /nfs/dbraw/zinc/51/26/30/555512630.db2.gz GHFDZKIMPKUUQG-OAHLLOKOSA-N 0 0 447.923 1.517 50 0 IDAARN CCc1ccc(OC[C@@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000000626056 555512638 /nfs/dbraw/zinc/51/26/38/555512638.db2.gz RWWVGPMDWYPIBA-KRWDZBQOSA-N 0 0 441.532 1.426 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000633106 555515764 /nfs/dbraw/zinc/51/57/64/555515764.db2.gz LYNFXWDFSMKACP-GOSISDBHSA-N 0 0 449.511 1.808 50 0 IDAARN Cn1c2nc(Br)n(CC(=O)c3ccc(Br)cc3)c2c(=O)[nH]c1=O ZINC000000633355 555515772 /nfs/dbraw/zinc/51/57/72/555515772.db2.gz JRCSIEZEKOXMLY-UHFFFAOYSA-N 0 0 442.067 1.831 50 0 IDAARN Cn1c2nc(NC[C@@H]3CCCO3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000000641022 555518398 /nfs/dbraw/zinc/51/83/98/555518398.db2.gz OFCXDXRRFOYHER-AWEZNQCLSA-N 0 0 448.321 1.835 50 0 IDAARN Cn1c(OCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C ZINC000000641070 555518432 /nfs/dbraw/zinc/51/84/32/555518432.db2.gz JPGSCBYTWDKARV-UHFFFAOYSA-N 0 0 438.415 1.929 50 0 biogenic IDAARN CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2cccc(F)c2)C1=S ZINC000000662345 555527070 /nfs/dbraw/zinc/52/70/70/555527070.db2.gz YVCGPKYBMGQPPK-KRWDZBQOSA-N 0 0 428.489 1.647 50 0 IDAARN COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000675720 555534368 /nfs/dbraw/zinc/53/43/68/555534368.db2.gz LXGPLUXMFHEADO-UHFFFAOYSA-N 0 0 449.554 1.772 50 0 IDAARN COc1ccc(C(=O)NN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(N)=O)cc1 ZINC000000720821 555550001 /nfs/dbraw/zinc/55/00/01/555550001.db2.gz ORBPCFPMMVNBFL-MRXNPFEDSA-N 0 0 428.470 1.226 50 0 IDAARN CCOc1cc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)ccc1OC(C)=O ZINC000000724096 555550770 /nfs/dbraw/zinc/55/07/70/555550770.db2.gz RDOHOVMROYGJDE-DEDYPNTBSA-N 0 0 449.488 1.974 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000000780762 555555068 /nfs/dbraw/zinc/55/50/68/555555068.db2.gz NYWCZRRUYMRTQS-UHFFFAOYSA-N 0 0 447.351 1.871 50 0 IDAARN COc1ccc(OC[C@@H](O)Cn2c3ccccc3n(CCN3CCOCC3)c2=N)cc1 ZINC000000789776 555556681 /nfs/dbraw/zinc/55/66/81/555556681.db2.gz WKGHVIIKCZFADN-SFHVURJKSA-N 0 0 426.517 1.703 50 0 IDAARN CCc1ccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000824787 555564842 /nfs/dbraw/zinc/56/48/42/555564842.db2.gz SLMSZMQIKMGPNI-INIZCTEOSA-N 0 0 427.505 1.416 50 0 IDAARN Cn1c2nc(Br)n(C[C@H](O)COc3cccc4ccccc43)c2c(=O)[nH]c1=O ZINC000000829852 555565997 /nfs/dbraw/zinc/56/59/97/555565997.db2.gz HVOOPCLOPXAESL-LBPRGKRZSA-N 0 0 445.273 1.779 50 0 IDAARN CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1Br ZINC000000886280 555578970 /nfs/dbraw/zinc/57/89/70/555578970.db2.gz OIUYNECTIOBXTR-UHFFFAOYSA-N 0 0 426.292 1.953 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000000899583 555580893 /nfs/dbraw/zinc/58/08/93/555580893.db2.gz PGRSUTFVEHUGNS-UHFFFAOYSA-N 0 0 437.543 1.481 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C(=Cc2ccccc2)n2nnnc2C)NC(=O)N[C@H]1C ZINC000009634183 555585389 /nfs/dbraw/zinc/58/53/89/555585389.db2.gz XCCYAWWVTFXMKF-KPENOIPVSA-N 0 0 426.433 1.041 50 0 IDAARN COC(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000000938527 555586510 /nfs/dbraw/zinc/58/65/10/555586510.db2.gz WSDLNTROIRDLJA-UHFFFAOYSA-N 0 0 435.845 1.556 50 0 IDAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000000989145 555595347 /nfs/dbraw/zinc/59/53/47/555595347.db2.gz PEGFJDKLWROZEH-JOCHJYFZSA-N 0 0 444.440 1.045 50 0 biogenic IDAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c1 ZINC000009690059 555602576 /nfs/dbraw/zinc/60/25/76/555602576.db2.gz KOAAGYHJPRCJAP-JTQLQIEISA-N 0 0 446.938 1.538 50 0 IDAARN COc1ccc(Cl)c(Cn2c(NC[C@@H]3CCCO3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000001067363 555619012 /nfs/dbraw/zinc/61/90/12/555619012.db2.gz BGXGYWNAPXYVHR-AWEZNQCLSA-N 0 0 433.896 1.735 50 0 IDAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)N(C)C(=S)N1NC(=O)c1cccc(F)c1 ZINC000001078074 555625178 /nfs/dbraw/zinc/62/51/78/555625178.db2.gz RNSCXXVTYIIKSF-OAHLLOKOSA-N 0 0 430.461 1.935 50 0 IDAARN CCOC(=O)Cn1c2ccccc2nc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000001087448 555626553 /nfs/dbraw/zinc/62/65/53/555626553.db2.gz GHXUHAJBUZJFBR-UHFFFAOYSA-N 0 0 428.474 1.035 50 0 biogenic,in-vitro IDAARN CN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O ZINC000001530906 555702585 /nfs/dbraw/zinc/70/25/85/555702585.db2.gz CYLWJCABXYDINA-JTQLQIEISA-N 0 0 439.890 1.655 50 0 world IDAARN Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 ZINC000071889509 555725297 /nfs/dbraw/zinc/72/52/97/555725297.db2.gz ZZDZSRYHIFNLDO-UHFFFAOYSA-N 0 0 426.521 1.914 50 0 IDAARN C[C@@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COS(C)(=O)=O ZINC000002133234 555746559 /nfs/dbraw/zinc/74/65/59/555746559.db2.gz TZEYKLAAPSZABE-FQNPWDSYSA-N 0 0 438.542 1.542 50 0 IDAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1OC ZINC000002146153 555749051 /nfs/dbraw/zinc/74/90/51/555749051.db2.gz FCWVLBUYYYNUQR-UHFFFAOYSA-N 0 0 448.530 1.950 50 0 IDAARN COc1cc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC ZINC000002186250 555755179 /nfs/dbraw/zinc/75/51/79/555755179.db2.gz VTQXERVMWASECI-UHFFFAOYSA-N 0 0 434.470 1.998 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1cccs1 ZINC000002207709 555758083 /nfs/dbraw/zinc/75/80/83/555758083.db2.gz JMGUMSDHGHZOML-QGZVFWFLSA-N 0 0 436.371 1.727 50 0 IDAARN COCCNC(=O)c1ccc(CN(CCN2CCOCC2)Cc2ccc3c(c2)OCO3)o1 ZINC000034668883 555792369 /nfs/dbraw/zinc/79/23/69/555792369.db2.gz 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CCn1cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)c2ccc(C)nc21 ZINC000002783958 555819866 /nfs/dbraw/zinc/81/98/66/555819866.db2.gz YISDIXYDIYLJCP-UHFFFAOYSA-N 0 0 444.469 1.168 50 0 IDAARN COCCCNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000002815066 555828492 /nfs/dbraw/zinc/82/84/92/555828492.db2.gz VBHMPEICCARTSS-UHFFFAOYSA-N 0 0 426.276 1.210 50 0 IDAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1cccc(Br)c1 ZINC000002814485 555828413 /nfs/dbraw/zinc/82/84/13/555828413.db2.gz GBLJIHRCZRTCGA-UHFFFAOYSA-N 0 0 426.292 1.953 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)nc1N ZINC000002876186 555852303 /nfs/dbraw/zinc/85/23/03/555852303.db2.gz RXMGRVFLJKLCLC-UHFFFAOYSA-N 0 0 448.457 1.540 50 0 IDAARN Cc1cc(N(CC(=O)N2CCC(C(N)=O)CC2)S(C)(=O)=O)ccc1Br ZINC000002879393 555854301 /nfs/dbraw/zinc/85/43/01/555854301.db2.gz BJNKVFQBDKGUOP-UHFFFAOYSA-N 0 0 432.340 1.247 50 0 IDAARN CCOc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000002882175 555855836 /nfs/dbraw/zinc/85/58/36/555855836.db2.gz 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CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000002709789 556124813 /nfs/dbraw/zinc/12/48/13/556124813.db2.gz CJDCIAOTTGMPGW-UHFFFAOYSA-N 0 0 439.515 1.522 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)o2)CC1 ZINC000002720466 556126861 /nfs/dbraw/zinc/12/68/61/556126861.db2.gz GDLVBCRYHCCRLG-UHFFFAOYSA-N 0 0 434.474 1.901 50 0 IDAARN CCn1cc(Cl)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 ZINC000002732714 556134825 /nfs/dbraw/zinc/13/48/25/556134825.db2.gz RACAAZSNYNZQCZ-ZDUSSCGKSA-N 0 0 428.946 1.315 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000002803107 556142636 /nfs/dbraw/zinc/14/26/36/556142636.db2.gz HSNRRQPCWZSKOD-MRXNPFEDSA-N 0 0 449.504 1.804 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC2=CCCCC2)cc1 ZINC000003016059 556158301 /nfs/dbraw/zinc/15/83/01/556158301.db2.gz UFJUCVRGBUJHNR-FQEVSTJZSA-N 0 0 449.573 1.855 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000008395858 556163054 /nfs/dbraw/zinc/16/30/54/556163054.db2.gz JYIPTUZFIYWGCV-NBJYBMASSA-N 0 0 429.381 1.071 50 0 IDAARN CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000008433056 556172501 /nfs/dbraw/zinc/17/25/01/556172501.db2.gz FLXDKBNUHWAQLZ-GDZNZVCISA-N 0 0 436.383 1.839 50 0 IDAARN CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000008741825 556207416 /nfs/dbraw/zinc/20/74/16/556207416.db2.gz OENWNEXPHLZYGC-HWWQOWPSSA-N 0 0 438.424 1.661 50 0 IDAARN Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000008745712 556208975 /nfs/dbraw/zinc/20/89/75/556208975.db2.gz SJJGTZQXRVAXTP-CQSZACIVSA-N 0 0 446.558 1.458 50 0 IDAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2)C1 ZINC000010608670 556224283 /nfs/dbraw/zinc/22/42/83/556224283.db2.gz IFAMVFUIUOFHOY-GJZGRUSLSA-N 0 0 449.529 1.108 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)NC[C@H]4CCCO4)CC3=O)cc2)CC1 ZINC000009095646 556246768 /nfs/dbraw/zinc/24/67/68/556246768.db2.gz ZHHGESMXUQVUEJ-PKOBYXMFSA-N 0 0 449.573 1.755 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)CC1 ZINC000009095643 556246792 /nfs/dbraw/zinc/24/67/92/556246792.db2.gz ZHHGESMXUQVUEJ-MJGOQNOKSA-N 0 0 449.573 1.755 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)Nc3ccncc3)CC2)cc1 ZINC000013683832 556274892 /nfs/dbraw/zinc/27/48/92/556274892.db2.gz HHYFNSQVQHHXQG-UHFFFAOYSA-N 0 0 432.502 1.246 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O)occ3C(C)(C)C ZINC000009306843 556276882 /nfs/dbraw/zinc/27/68/82/556276882.db2.gz XKXWPWPPCOORKR-SJORKVTESA-N 0 0 447.509 1.962 50 0 IDAARN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N3C(=S)NC(=O)C(C)(C)N23)cc1 ZINC000009409740 556287873 /nfs/dbraw/zinc/28/78/73/556287873.db2.gz OBSGXJGUMDYLEY-CQSZACIVSA-N 0 0 432.502 1.593 50 0 IDAARN CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000013731505 556295755 /nfs/dbraw/zinc/29/57/55/556295755.db2.gz 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Cc1cc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCCC3)no1 ZINC000022909140 556329066 /nfs/dbraw/zinc/32/90/66/556329066.db2.gz CUZQDBZPPJRQSJ-UHFFFAOYSA-N 0 0 433.534 1.482 50 0 IDAARN COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)c(OC)cc1Cl ZINC000032768470 556333296 /nfs/dbraw/zinc/33/32/96/556333296.db2.gz ISLTVQBBFBQZDT-UHFFFAOYSA-N 0 0 429.882 1.959 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2nc3ccccc3[nH]2)cc1C ZINC000011663954 556344645 /nfs/dbraw/zinc/34/46/45/556344645.db2.gz JOWXOISCWAEALL-HXUWFJFHSA-N 0 0 435.528 1.929 50 0 IDAARN O=C(COc1ccc(Br)cc1)N1CCN(CCNC(=O)c2ccccn2)CC1 ZINC000013956853 556345074 /nfs/dbraw/zinc/34/50/74/556345074.db2.gz JDHKICHASGHCEV-UHFFFAOYSA-N 0 0 447.333 1.797 50 0 IDAARN COCCN1C(=O)C[C@](CC(=O)N(C)CCc2ccccn2)(c2ccccc2OC)C1=O ZINC000011782787 556351306 /nfs/dbraw/zinc/35/13/06/556351306.db2.gz NGCUHBJGFCLFRB-XMMPIXPASA-N 0 0 439.512 1.825 50 0 IDAARN COc1cccc(OC[C@@H](O)CNC(=O)Cn2cc(NC(=O)c3ccccc3F)cn2)c1 ZINC000011783745 556352137 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ZINC000012037245 556390163 /nfs/dbraw/zinc/39/01/63/556390163.db2.gz VHEINOZZRGRAQM-INIZCTEOSA-N 0 0 428.445 1.602 50 0 IDAARN Cn1c2nc(Cl)n(CC(=O)N(Cc3ccco3)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000014199146 556390348 /nfs/dbraw/zinc/39/03/48/556390348.db2.gz YSGLUPNQLXWREX-UHFFFAOYSA-N 0 0 441.875 1.909 50 0 IDAARN CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)C1=O ZINC000014200069 556390831 /nfs/dbraw/zinc/39/08/31/556390831.db2.gz BBDMDQBVDQYWGW-IBGZPJMESA-N 0 0 434.474 1.417 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000032816327 556391657 /nfs/dbraw/zinc/39/16/57/556391657.db2.gz HJPJEAHJVXIGIW-OAHLLOKOSA-N 0 0 447.479 1.888 50 0 IDAARN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3cccs3)C2)cc1 ZINC000012049255 556391890 /nfs/dbraw/zinc/39/18/90/556391890.db2.gz CZPDGHIPUYJNDI-AWEZNQCLSA-N 0 0 442.584 1.982 50 0 IDAARN C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014202265 556392323 /nfs/dbraw/zinc/39/23/23/556392323.db2.gz 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/nfs/dbraw/zinc/44/33/79/556443379.db2.gz VLDAPNFPAMQVIN-RCBQFDQVSA-N 0 0 447.417 1.595 50 0 IDAARN O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)NCc1ccc(Cl)cc1 ZINC000013037968 556443573 /nfs/dbraw/zinc/44/35/73/556443573.db2.gz ITZPJRIQCKONBS-FQEVSTJZSA-N 0 0 429.904 1.940 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)NCc1ccccc1 ZINC000013038211 556443811 /nfs/dbraw/zinc/44/38/11/556443811.db2.gz MVZJJKMLRFUVGO-UHFFFAOYSA-N 0 0 445.541 1.471 50 0 IDAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2cc[nH]n2)CC(=O)N(CCc2ccccc2)C1 ZINC000014752786 556444039 /nfs/dbraw/zinc/44/40/39/556444039.db2.gz WPMZLFHODXFCBS-NRFANRHFSA-N 0 0 427.549 1.550 50 0 IDAARN O=C(NCc1cccc(F)c1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1 ZINC000014754996 556444780 /nfs/dbraw/zinc/44/47/80/556444780.db2.gz YOIJBYWNHKCYAX-UHOSZYNNSA-N 0 0 426.448 1.041 50 0 IDAARN Cn1ncc2c1ncn(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c2=O ZINC000014772347 556445100 /nfs/dbraw/zinc/44/51/00/556445100.db2.gz QDRAZNFNBVWSPK-UHFFFAOYSA-N 0 0 430.468 1.741 50 0 IDAARN COc1cccc(C(N)=O)c1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000013040425 556446331 /nfs/dbraw/zinc/44/63/31/556446331.db2.gz KUUCYWYEESPPAY-UHFFFAOYSA-N 0 0 447.513 1.986 50 0 IDAARN NC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 ZINC000013041137 556447087 /nfs/dbraw/zinc/44/70/87/556447087.db2.gz APSUFAAXGQTTRH-UHFFFAOYSA-N 0 0 438.456 1.009 50 0 IDAARN COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC2=O)cc1OC ZINC000013057570 556449184 /nfs/dbraw/zinc/44/91/84/556449184.db2.gz KICCUAVDOSGOOB-VQTJNVASSA-N 0 0 445.560 1.418 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000013057903 556449520 /nfs/dbraw/zinc/44/95/20/556449520.db2.gz YFDOLTJSSJSINL-HXUWFJFHSA-N 0 0 430.486 1.343 50 0 IDAARN Cc1ccc(S(=O)(=O)C2(C(=O)OCc3cc(=O)n(C)c(=O)n3C)CCCC2)cc1C ZINC000032865277 556450405 /nfs/dbraw/zinc/45/04/05/556450405.db2.gz YWHHYWWTZSBVJB-UHFFFAOYSA-N 0 0 434.514 1.531 50 0 IDAARN CCOC(=O)C1=C(CN(CC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)NC(=O)N[C@H]1C ZINC000013059974 556450441 /nfs/dbraw/zinc/45/04/41/556450441.db2.gz ZBKNYCAOSYPIRC-NSHDSACASA-N 0 0 433.896 1.917 50 0 IDAARN C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1(Cl)Cl ZINC000072273427 556452016 /nfs/dbraw/zinc/45/20/16/556452016.db2.gz NOADYWBKYWXTIX-INIZCTEOSA-N 0 0 448.328 1.434 50 0 IDAARN O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000013068297 556452307 /nfs/dbraw/zinc/45/23/07/556452307.db2.gz JMGGKRPURIPQOS-LJQANCHMSA-N 0 0 445.585 1.799 50 0 IDAARN COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2C(C)C)c1=O ZINC000032958176 556452322 /nfs/dbraw/zinc/45/23/22/556452322.db2.gz MSRIXVYMTTXANT-UHFFFAOYSA-N 0 0 443.548 1.991 50 0 IDAARN CCCCN(C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000013074322 556455066 /nfs/dbraw/zinc/45/50/66/556455066.db2.gz HGEWSHZCWFCOKO-UWJYYQICSA-N 0 0 435.546 1.660 50 0 IDAARN COC(=O)c1cccc(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c1 ZINC000014896201 556456700 /nfs/dbraw/zinc/45/67/00/556456700.db2.gz ZXUUNDGVVFOVTN-QGZVFWFLSA-N 0 0 444.465 1.511 50 0 IDAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000014901340 556456950 /nfs/dbraw/zinc/45/69/50/556456950.db2.gz PLJGRTKDYLEEBN-KFWWJZLASA-N 0 0 439.534 1.744 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)c2c(=O)n(C)c1=O ZINC000028605114 556457088 /nfs/dbraw/zinc/45/70/88/556457088.db2.gz FIKXKUFSYITSSE-UHFFFAOYSA-N 0 0 435.469 1.449 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCc1ccc2c(c1)OCO2 ZINC000013096640 556457257 /nfs/dbraw/zinc/45/72/57/556457257.db2.gz XCAXJURVYPBSBK-UHFFFAOYSA-N 0 0 435.477 1.177 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000013097778 556458525 /nfs/dbraw/zinc/45/85/25/556458525.db2.gz JMDRURAKQWMPKH-OAQYLSRUSA-N 0 0 446.504 1.557 50 0 IDAARN CC[C@H](C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)c1 ZINC000013099034 556459336 /nfs/dbraw/zinc/45/93/36/556459336.db2.gz VURCOUNBCOFQSD-ZDUSSCGKSA-N 0 0 425.532 1.924 50 0 IDAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000013108025 556461764 /nfs/dbraw/zinc/46/17/64/556461764.db2.gz UTDJQGKRRYHDTD-HSZRJFAPSA-N 0 0 437.452 1.994 50 0 IDAARN CCOC(=O)CNC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000014961320 556463907 /nfs/dbraw/zinc/46/39/07/556463907.db2.gz OSCJXGSUTUROQL-GOSISDBHSA-N 0 0 431.537 1.495 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3cccs3)CC2)NC(=O)N[C@@H]1C ZINC000013112312 556464625 /nfs/dbraw/zinc/46/46/25/556464625.db2.gz YFDIDHFBDMXGSL-GFCCVEGCSA-N 0 0 435.502 1.662 50 0 IDAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)C2CCN(C(C)=O)CC2)c(=O)[nH]c1=O ZINC000013112433 556464912 /nfs/dbraw/zinc/46/49/12/556464912.db2.gz IJIONDYUABHSOP-UHFFFAOYSA-N 0 0 431.493 1.304 50 0 IDAARN CC[C@H](C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000029003947 556465284 /nfs/dbraw/zinc/46/52/84/556465284.db2.gz KVJOCYLOSVFCRO-ZDUSSCGKSA-N 0 0 431.942 1.804 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000013114783 556467339 /nfs/dbraw/zinc/46/73/39/556467339.db2.gz DIZAXOSJRISAMW-JOCHJYFZSA-N 0 0 438.440 1.120 50 0 IDAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NCCc1ccc(F)cc1 ZINC000029141716 556468390 /nfs/dbraw/zinc/46/83/90/556468390.db2.gz CUUDAQJMDBEVPM-OAQYLSRUSA-N 0 0 427.476 1.611 50 0 IDAARN CC(C)CN(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000013117793 556470798 /nfs/dbraw/zinc/47/07/98/556470798.db2.gz LKKCUGRZMFSWHR-HRAATJIYSA-N 0 0 433.530 1.052 50 0 IDAARN COC(=O)c1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCc2ccc(C)cc2)cc1 ZINC000014985957 556472607 /nfs/dbraw/zinc/47/26/07/556472607.db2.gz PPXQERCBMASCPH-RTWAWAEBSA-N 0 0 434.500 1.900 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000013120979 556473268 /nfs/dbraw/zinc/47/32/68/556473268.db2.gz KIHIHQLKKXEFOM-UTKZUKDTSA-N 0 0 433.530 1.412 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1OC ZINC000013121001 556473609 /nfs/dbraw/zinc/47/36/09/556473609.db2.gz SAOGWSILHARLJY-OAQYLSRUSA-N 0 0 447.513 1.921 50 0 IDAARN COc1ccc(-c2nc(SCC(=O)N3C[C@H](C(N)=O)Oc4ccccc43)n[nH]2)cc1 ZINC000029412778 556474615 /nfs/dbraw/zinc/47/46/15/556474615.db2.gz WXYUMMMQJMJXIL-MRXNPFEDSA-N 0 0 425.470 1.852 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3CC)c1 ZINC000029519681 556477186 /nfs/dbraw/zinc/47/71/86/556477186.db2.gz ASIHAMNMCOAXGN-UHFFFAOYSA-N 0 0 445.501 1.388 50 0 IDAARN COc1ccc(Cn2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013128522 556477850 /nfs/dbraw/zinc/47/78/50/556477850.db2.gz MDZVDXYWQXWUHF-UHFFFAOYSA-N 0 0 442.501 1.400 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000014997000 556478284 /nfs/dbraw/zinc/47/82/84/556478284.db2.gz RQAPUFMTHOYJHN-BTYIYWSLSA-N 0 0 436.530 1.798 50 0 IDAARN COc1ccccc1CCC(=O)NCCc1nnc(SCCN2CCOCC2)n1C ZINC000014999400 556479482 /nfs/dbraw/zinc/47/94/82/556479482.db2.gz NBXWSUFMTPRQPN-UHFFFAOYSA-N 0 0 433.578 1.540 50 0 IDAARN O=C(CNc1ccc(I)cc1Cl)N[C@H]1CCS(=O)(=O)C1 ZINC000029649598 556479541 /nfs/dbraw/zinc/47/95/41/556479541.db2.gz VWDAGKHIYNSYIT-VIFPVBQESA-N 0 0 428.679 1.660 50 0 IDAARN O=C(NCc1ccnc(N2CCOCC2)c1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000029729380 556480999 /nfs/dbraw/zinc/48/09/99/556480999.db2.gz KMDVABVSJKVLGU-NRFANRHFSA-N 0 0 425.533 1.791 50 0 IDAARN CCN(CCO)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000015004555 556481241 /nfs/dbraw/zinc/48/12/41/556481241.db2.gz CVSMNSXEGXZDBK-DEOSSOPVSA-N 0 0 438.480 1.843 50 0 IDAARN COc1ccc(OCCN2CCN(C(=O)[C@@H]3CCCN(c4cnccn4)C3)CC2)cc1 ZINC000029756695 556481496 /nfs/dbraw/zinc/48/14/96/556481496.db2.gz LAFYCESHAHRLRD-LJQANCHMSA-N 0 0 425.533 1.925 50 0 IDAARN COc1ccccc1[C@]1(CC(=O)N2CCN(Cc3ccccn3)CC2)CC(=O)N(C)C1=O ZINC000015006423 556481930 /nfs/dbraw/zinc/48/19/30/556481930.db2.gz ZGOAKRVJVMYKDG-XMMPIXPASA-N 0 0 436.512 1.451 50 0 IDAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[C@H](O)C(F)(F)F ZINC000072290285 556486529 /nfs/dbraw/zinc/48/65/29/556486529.db2.gz CXGCJGBRHWBXOW-KBPBESRZSA-N 0 0 428.498 1.825 50 0 IDAARN O=C(CN1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1)Nc1ccccc1 ZINC000029965625 556487640 /nfs/dbraw/zinc/48/76/40/556487640.db2.gz SDAMFUQIKFAVOL-UHFFFAOYSA-N 0 0 436.564 1.833 50 0 IDAARN CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)NC1CC1 ZINC000015019798 556487699 /nfs/dbraw/zinc/48/76/99/556487699.db2.gz BPCHHVGBNZDJNX-UHFFFAOYSA-N 0 0 427.527 1.774 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000030064441 556490582 /nfs/dbraw/zinc/49/05/82/556490582.db2.gz LNHQFXRESHJLGB-UHFFFAOYSA-N 0 0 434.543 1.652 50 0 IDAARN CCOC(=O)CN(C)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000015064384 556491774 /nfs/dbraw/zinc/49/17/74/556491774.db2.gz MQFANJWWDKJKPD-UHFFFAOYSA-N 0 0 432.926 1.778 50 0 IDAARN COc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1 ZINC000013163446 556493679 /nfs/dbraw/zinc/49/36/79/556493679.db2.gz HYPOBCCXIKQPKC-UHFFFAOYSA-N 0 0 432.498 1.880 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CCN(C/C=C/c1ccco1)CC2 ZINC000015068549 556494123 /nfs/dbraw/zinc/49/41/23/556494123.db2.gz OJCOJBFPUXDQSS-HWKANZROSA-N 0 0 426.517 1.409 50 0 IDAARN O=C(NCc1cc(F)ccc1Br)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000059799047 556501035 /nfs/dbraw/zinc/50/10/35/556501035.db2.gz ZEOBBKPZXBILPT-GFCCVEGCSA-N 0 0 446.298 1.370 50 0 IDAARN CC(C)(Sc1nnnn1-c1ccccc1)C(=O)Nc1nnc(SCC(N)=O)s1 ZINC000030831869 556507185 /nfs/dbraw/zinc/50/71/85/556507185.db2.gz GEUZVKAJHIDTQD-UHFFFAOYSA-N 0 0 436.548 1.601 50 0 IDAARN COc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000013479820 556507899 /nfs/dbraw/zinc/50/78/99/556507899.db2.gz ZIRPPMDGMHCGEC-UHFFFAOYSA-N 0 0 447.513 1.572 50 0 IDAARN Cn1ccnc1[C@@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 ZINC000032881942 556508479 /nfs/dbraw/zinc/50/84/79/556508479.db2.gz LPRUVGXNBJCGLA-KRWDZBQOSA-N 0 0 425.880 1.813 50 0 IDAARN Cc1sc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n(C)c(=O)c2c1C ZINC000013514242 556511178 /nfs/dbraw/zinc/51/11/78/556511178.db2.gz YRNKQVYJIVGXDR-UHFFFAOYSA-N 0 0 438.556 1.990 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc(Cl)nc3[nH]cnc32)cc1 ZINC000013552748 556515493 /nfs/dbraw/zinc/51/54/93/556515493.db2.gz CGAMGOFNPICWRN-UHFFFAOYSA-N 0 0 426.911 1.105 50 0 IDAARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC[C@@H]1CCCO1 ZINC000013556847 556516861 /nfs/dbraw/zinc/51/68/61/556516861.db2.gz KOBULAIZZHXQEQ-IIMJZQEZSA-N 0 0 431.489 1.204 50 0 IDAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 ZINC000013557161 556517265 /nfs/dbraw/zinc/51/72/65/556517265.db2.gz RLNSBAMKDYAREE-AWEZNQCLSA-N 0 0 430.482 1.875 50 0 biogenic IDAARN COCCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@]12c1ccccc1NC2=O ZINC000003097252 556520025 /nfs/dbraw/zinc/52/00/25/556520025.db2.gz JSRBSYGVUOXATR-HSZRJFAPSA-N 0 0 434.404 1.784 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000032892749 556520386 /nfs/dbraw/zinc/52/03/86/556520386.db2.gz YMFJAAUPEBIQNZ-FQEVSTJZSA-N 0 0 445.541 1.535 50 0 IDAARN COc1cccc(CN(C)C(=O)[C@@H]2CSCN2C(=O)c2c(C)c(C)nn(C)c2=O)c1 ZINC000072296555 556522162 /nfs/dbraw/zinc/52/21/62/556522162.db2.gz NFIRAPSOAPTQJN-KRWDZBQOSA-N 0 0 430.530 1.579 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000072296590 556522168 /nfs/dbraw/zinc/52/21/68/556522168.db2.gz IOHRIFGSWKKCCY-HXUWFJFHSA-N 0 0 435.521 1.602 50 0 IDAARN CCNC(=O)c1cccc(CNC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)c1 ZINC000072301529 556525147 /nfs/dbraw/zinc/52/51/47/556525147.db2.gz HLHLBJLPQYCTRZ-HXUWFJFHSA-N 0 0 449.511 1.190 50 0 IDAARN CC[C@]1(C)NC(=O)N(NC(=O)CN(C)Cc2cc(Br)ccc2OC)C1=O ZINC000015444251 556528533 /nfs/dbraw/zinc/52/85/33/556528533.db2.gz OWKSDWDMMOOEOU-KRWDZBQOSA-N 0 0 427.299 1.641 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCCC(=O)N2CCCC2)cc1 ZINC000032721364 556531879 /nfs/dbraw/zinc/53/18/79/556531879.db2.gz MBADNCVAHWTJAP-IBGZPJMESA-N 0 0 435.546 1.561 50 0 IDAARN COCCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc2c1=O ZINC000013598123 556532707 /nfs/dbraw/zinc/53/27/07/556532707.db2.gz LJFKYOLPZLZZJO-UHFFFAOYSA-N 0 0 425.470 1.943 50 0 IDAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000015566213 556535369 /nfs/dbraw/zinc/53/53/69/556535369.db2.gz LDIVGTXCRSUMGA-OAQYLSRUSA-N 0 0 427.545 1.837 50 0 IDAARN CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NCc2cnn(C)c2C)C1=O ZINC000013628288 556537940 /nfs/dbraw/zinc/53/79/40/556537940.db2.gz QRDXHNSSFJOEMO-HNNXBMFYSA-N 0 0 434.294 1.331 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000032902007 556538712 /nfs/dbraw/zinc/53/87/12/556538712.db2.gz FMWRRGAGLTXERP-HNNXBMFYSA-N 0 0 431.580 1.636 50 0 IDAARN COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000032903752 556540267 /nfs/dbraw/zinc/54/02/67/556540267.db2.gz AIHLUCKUPCCLER-FQEVSTJZSA-N 0 0 447.557 1.242 50 0 IDAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1ccc(F)c(F)c1 ZINC000015647565 556540622 /nfs/dbraw/zinc/54/06/22/556540622.db2.gz NZYARMGSMLNDMM-LBPRGKRZSA-N 0 0 431.395 1.844 50 0 IDAARN COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)N3CCOCC3)n2C)C(C)C)cc1 ZINC000032579279 556541282 /nfs/dbraw/zinc/54/12/82/556541282.db2.gz NZKNDHGTVYIPGZ-SFHVURJKSA-N 0 0 447.561 1.902 50 0 IDAARN COC(=O)[C@@H](N)CCCNC(=N)NS(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2 ZINC000015722216 556545363 /nfs/dbraw/zinc/54/53/63/556545363.db2.gz WAVIIAKQONVPGL-HNNXBMFYSA-N 0 0 440.566 1.409 50 0 IDAARN CCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1=O ZINC000004435260 556545718 /nfs/dbraw/zinc/54/57/18/556545718.db2.gz OTVYTMIHNDISEZ-QZTJIDSGSA-N 0 0 442.560 1.974 50 0 IDAARN COc1cc2oc(=O)c(CC(=O)NCCNC(=O)[C@H]3CCCNC3=O)c(C)c2cc1Cl ZINC000013655859 556546260 /nfs/dbraw/zinc/54/62/60/556546260.db2.gz ZAIDWRYSJODJLP-LBPRGKRZSA-N 0 0 449.891 1.065 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000072303414 556547906 /nfs/dbraw/zinc/54/79/06/556547906.db2.gz AXUDABBAJLMIRP-HNNXBMFYSA-N 0 0 440.547 1.526 50 0 IDAARN COc1cc(CCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1OC(F)F ZINC000032905412 556548553 /nfs/dbraw/zinc/54/85/53/556548553.db2.gz UDFVXBNTHRESCT-UHFFFAOYSA-N 0 0 434.399 1.215 50 0 IDAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 ZINC000015779840 556551102 /nfs/dbraw/zinc/55/11/02/556551102.db2.gz NMSNDNNGFOUBMY-UHFFFAOYSA-N 0 0 429.498 1.652 50 0 IDAARN O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000015820268 556553687 /nfs/dbraw/zinc/55/36/87/556553687.db2.gz XXEVSXOYDQBTMA-UHFFFAOYSA-N 0 0 433.440 1.692 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnc2n(c1=O)CCS2 ZINC000015827236 556554264 /nfs/dbraw/zinc/55/42/64/556554264.db2.gz LJTVYRKSDJPERR-UHFFFAOYSA-N 0 0 434.543 1.454 50 0 IDAARN COc1ccc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N(C)C ZINC000032905744 556556335 /nfs/dbraw/zinc/55/63/35/556556335.db2.gz SBUAOKKBIKARBQ-UHFFFAOYSA-N 0 0 433.486 1.848 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(C(C)=O)cc4)c(=O)c3s2)CC1 ZINC000015863934 556559062 /nfs/dbraw/zinc/55/90/62/556559062.db2.gz YPBKWSMIUAYBPS-UHFFFAOYSA-N 0 0 440.529 1.836 50 0 IDAARN O=C([O-])[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000071283426 556559675 /nfs/dbraw/zinc/55/96/75/556559675.db2.gz XGBFBRKHVIFTSP-SFHVURJKSA-N 0 0 440.500 1.700 50 0 IDAARN Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325566 556561600 /nfs/dbraw/zinc/56/16/00/556561600.db2.gz LMUALYREVFXCQN-KRWDZBQOSA-N 0 0 430.530 1.556 50 0 IDAARN CS(=O)(=O)CC[C@@H](C(=O)N1CCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002850591 556572665 /nfs/dbraw/zinc/57/26/65/556572665.db2.gz QSRWMDXTJJJPLT-AWEZNQCLSA-N 0 0 449.312 1.252 50 0 IDAARN COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000002856044 556572687 /nfs/dbraw/zinc/57/26/87/556572687.db2.gz PBAKRLQCXWIGGS-OAHLLOKOSA-N 0 0 449.529 1.865 50 0 IDAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016012645 556574170 /nfs/dbraw/zinc/57/41/70/556574170.db2.gz WOVDBFKGXHXRMP-ARGWBDOXSA-N 0 0 443.862 1.781 50 0 IDAARN C[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc21)C(=O)NC1CC1 ZINC000032910220 556574776 /nfs/dbraw/zinc/57/47/76/556574776.db2.gz PYKRWKSLYDUHCX-FZMZJTMJSA-N 0 0 438.531 1.445 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c1 ZINC000032910257 556574837 /nfs/dbraw/zinc/57/48/37/556574837.db2.gz SIYVYBXXXSGINE-UHFFFAOYSA-N 0 0 443.275 1.657 50 0 IDAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000016039533 556578024 /nfs/dbraw/zinc/57/80/24/556578024.db2.gz PUQSZFQTWMAMBU-UHFFFAOYSA-N 0 0 433.943 1.616 50 0 IDAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000032910071 556578997 /nfs/dbraw/zinc/57/89/97/556578997.db2.gz PLJTWSFAMZMHKM-GJZGRUSLSA-N 0 0 442.509 1.793 50 0 IDAARN O=S(=O)(NCCN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccccc1F ZINC000034872249 556585039 /nfs/dbraw/zinc/58/50/39/556585039.db2.gz AUKMXDXZSDDFHK-UHFFFAOYSA-N 0 0 445.513 1.250 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)Cn3ccnc3)CC2)cc1OC ZINC000032912129 556585510 /nfs/dbraw/zinc/58/55/10/556585510.db2.gz ADSYQKZWCSVYCL-HNNXBMFYSA-N 0 0 436.534 1.506 50 0 IDAARN CCc1[nH]c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C)c1C(=O)OC ZINC000016179840 556587179 /nfs/dbraw/zinc/58/71/79/556587179.db2.gz FHXGDUKWHIBDMI-UHFFFAOYSA-N 0 0 443.529 1.700 50 0 IDAARN COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000032969182 556587971 /nfs/dbraw/zinc/58/79/71/556587971.db2.gz DPACNILPOHARFR-OAQYLSRUSA-N 0 0 447.557 1.553 50 0 IDAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1c3ccccc3C[C@H]1C(N)=O)C2=O ZINC000060241923 556588219 /nfs/dbraw/zinc/58/82/19/556588219.db2.gz MLVRDPSDDZJZTE-WBWVDOBWSA-N 0 0 426.517 1.957 50 0 IDAARN COc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1S(=O)(=O)N1CCCCC1 ZINC000032912423 556591416 /nfs/dbraw/zinc/59/14/16/556591416.db2.gz ZISXPWABKYSCAZ-ZFWWWQNUSA-N 0 0 428.532 1.020 50 0 IDAARN COc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)cc1S(=O)(=O)N1CCCCC1 ZINC000032912424 556591418 /nfs/dbraw/zinc/59/14/18/556591418.db2.gz ZISXPWABKYSCAZ-UKRRQHHQSA-N 0 0 428.532 1.020 50 0 IDAARN CCCCN1C(=O)c2ccc(C(=O)OCC3=C(C(=O)OCC)CNC(=O)N3)cc2C1=O ZINC000016250289 556594700 /nfs/dbraw/zinc/59/47/00/556594700.db2.gz CQKHFNCAKFOIAP-UHFFFAOYSA-N 0 0 429.429 1.370 50 0 IDAARN Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=N)NCCC[C@H]([NH3+])C(=O)[O-])OC(C)(C)C2 ZINC000036208741 556594807 /nfs/dbraw/zinc/59/48/07/556594807.db2.gz GVIXTVCDNCXXSH-AWEZNQCLSA-N 0 0 426.539 1.320 50 0 IDAARN Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1 ZINC000036235698 556595072 /nfs/dbraw/zinc/59/50/72/556595072.db2.gz XDSYPHIHYXDNOO-UHFFFAOYSA-N 0 0 446.559 1.614 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000016347228 556601619 /nfs/dbraw/zinc/60/16/19/556601619.db2.gz STBIXQTVCIFCRE-SFHVURJKSA-N 0 0 428.514 1.419 50 0 IDAARN O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000032983309 556601886 /nfs/dbraw/zinc/60/18/86/556601886.db2.gz MEXIKBGEIPGLTL-OAQYLSRUSA-N 0 0 448.479 1.367 50 0 IDAARN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)CC1 ZINC000016474809 556610182 /nfs/dbraw/zinc/61/01/82/556610182.db2.gz SXODUDJBJYYTMY-UHFFFAOYSA-N 0 0 447.941 1.706 50 0 IDAARN Cc1csc(NC(=O)CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)n1 ZINC000032996373 556611921 /nfs/dbraw/zinc/61/19/21/556611921.db2.gz GTFDMAGWWOLNOP-UHFFFAOYSA-N 0 0 439.563 1.940 50 0 IDAARN COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C ZINC000038530801 556613393 /nfs/dbraw/zinc/61/33/93/556613393.db2.gz ZTJHRHJLPDSHJY-UHFFFAOYSA-N 0 0 447.561 1.450 50 0 IDAARN COC(=O)c1c(C)c(C(=O)N2CCOCC2)sc1S(=O)(=O)NCc1ccccc1 ZINC000016642687 556619720 /nfs/dbraw/zinc/61/97/20/556619720.db2.gz RGFGKFCCIRPIJS-UHFFFAOYSA-N 0 0 438.527 1.794 50 0 IDAARN CC1(C)NC(=O)N(C[C@H](O)COc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)C1=O ZINC000100576860 556622878 /nfs/dbraw/zinc/62/28/78/556622878.db2.gz HJIBHMRTIMQCCM-BHYGNILZSA-N 0 0 427.457 1.212 50 0 IDAARN COc1ccc(-c2ccc(=O)n(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000040267376 556634267 /nfs/dbraw/zinc/63/42/67/556634267.db2.gz YLQJJXFKTCCLPO-QGZVFWFLSA-N 0 0 433.530 1.591 50 0 IDAARN CN1c2ccccc2[C@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCN1CCOCC1 ZINC000016742334 556636274 /nfs/dbraw/zinc/63/62/74/556636274.db2.gz HYQFLYPUPITGTK-RUZDIDTESA-N 0 0 445.475 1.801 50 0 IDAARN C[C@@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)C(=O)N1CCOCC1 ZINC000037576419 556643841 /nfs/dbraw/zinc/64/38/41/556643841.db2.gz UORZEBJFAJQYOT-OAHLLOKOSA-N 0 0 443.479 1.045 50 0 IDAARN CC(C)CNC(=O)[C@@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000037577897 556643907 /nfs/dbraw/zinc/64/39/07/556643907.db2.gz JUWFBTPFWPRYHT-OAHLLOKOSA-N 0 0 429.496 1.959 50 0 IDAARN COCCNC(=O)CCNC(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000037578583 556644048 /nfs/dbraw/zinc/64/40/48/556644048.db2.gz CIXNBLTVZHFJAZ-UHFFFAOYSA-N 0 0 427.505 1.120 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000016823697 556645047 /nfs/dbraw/zinc/64/50/47/556645047.db2.gz SCVYLFJJEBKSGR-INIZCTEOSA-N 0 0 433.511 1.576 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000011720155 556645070 /nfs/dbraw/zinc/64/50/70/556645070.db2.gz XWUJOSBRTXOPHN-HNNXBMFYSA-N 0 0 436.361 1.852 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000011738327 556648989 /nfs/dbraw/zinc/64/89/89/556648989.db2.gz LWCMPGBZGNDEKS-UHFFFAOYSA-N 0 0 440.525 1.981 50 0 IDAARN C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000016970747 556651443 /nfs/dbraw/zinc/65/14/43/556651443.db2.gz DYVKEUJHAHTUEI-RHSMWYFYSA-N 0 0 437.518 1.166 50 0 IDAARN COc1ccc(OC)c(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000011758052 556651990 /nfs/dbraw/zinc/65/19/90/556651990.db2.gz GJIMNVIYVHMDRQ-UHFFFAOYSA-N 0 0 431.474 1.084 50 0 IDAARN CCCc1nc(SCC(=O)Nc2cccc(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758091 556652287 /nfs/dbraw/zinc/65/22/87/556652287.db2.gz LTSLJHIRENJGJD-UHFFFAOYSA-N 0 0 429.502 1.719 50 0 IDAARN COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(OC)cc2)n(C)c1=O ZINC000017012089 556652794 /nfs/dbraw/zinc/65/27/94/556652794.db2.gz VQDYDLAGGFGJTF-UHFFFAOYSA-N 0 0 438.488 1.403 50 0 IDAARN CCCCN1C(=O)NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000017016897 556653049 /nfs/dbraw/zinc/65/30/49/556653049.db2.gz IUABTZSJJDEPRP-WAIKUNEKSA-N 0 0 437.500 1.865 50 0 IDAARN Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000017045886 556654359 /nfs/dbraw/zinc/65/43/59/556654359.db2.gz MJHFCNZBVCITHR-UHFFFAOYSA-N 0 0 431.547 1.897 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)CCCSc2ccc(NC(=O)C3CC3)nn2)cc1 ZINC000011793973 556656331 /nfs/dbraw/zinc/65/63/31/556656331.db2.gz KMGORKSQWHEUQZ-UHFFFAOYSA-N 0 0 435.531 1.984 50 0 IDAARN COCCCn1c(C(=O)Nc2cc(Cl)ccc2OC)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845164 556660841 /nfs/dbraw/zinc/66/08/41/556660841.db2.gz JUPOUSBLVQYZSJ-UHFFFAOYSA-N 0 0 434.880 1.990 50 0 IDAARN COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1 ZINC000011858103 556663358 /nfs/dbraw/zinc/66/33/58/556663358.db2.gz JPGNYWAPOJPJRJ-UHFFFAOYSA-N 0 0 438.483 1.649 50 0 IDAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C(=O)[C@H]4CCCO4)CC3)c2C(N)=O)C1 ZINC000017099129 556664269 /nfs/dbraw/zinc/66/42/69/556664269.db2.gz WZQXNUSHHAGRFD-UKRRQHHQSA-N 0 0 434.562 1.234 50 0 IDAARN Cn1c(SCC(=O)NC2CC2)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000017099675 556664973 /nfs/dbraw/zinc/66/49/73/556664973.db2.gz UFQQCEIFKYSNBP-AWEZNQCLSA-N 0 0 435.575 1.754 50 0 IDAARN Cc1ccnc(-n2c(SCC(=O)O[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)c1 ZINC000017101681 556666120 /nfs/dbraw/zinc/66/61/20/556666120.db2.gz FOFREMLKIXFGOD-AWEZNQCLSA-N 0 0 445.522 1.912 50 0 IDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1cnn(C)c1C ZINC000017102238 556666530 /nfs/dbraw/zinc/66/65/30/556666530.db2.gz STRMRUGWNFZFDG-DMVFFGLYSA-N 0 0 438.509 1.459 50 0 IDAARN COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 ZINC000011905033 556670960 /nfs/dbraw/zinc/67/09/60/556670960.db2.gz ZOIRXTPTOBTKRZ-LBPRGKRZSA-N 0 0 438.483 1.587 50 0 IDAARN Cc1nnsc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000011913919 556672770 /nfs/dbraw/zinc/67/27/70/556672770.db2.gz GNUNUOGSAMEZCR-SECBINFHSA-N 0 0 426.545 1.566 50 0 IDAARN COc1cccc(COc2coc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2=O)c1 ZINC000011963456 556677526 /nfs/dbraw/zinc/67/75/26/556677526.db2.gz MGUGFDMVBZZEHC-UHFFFAOYSA-N 0 0 444.465 1.805 50 0 IDAARN COc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1OC ZINC000011997369 556679050 /nfs/dbraw/zinc/67/90/50/556679050.db2.gz JDTNLUXZYUBZAC-UHFFFAOYSA-N 0 0 440.499 1.249 50 0 IDAARN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000018156314 556685274 /nfs/dbraw/zinc/68/52/74/556685274.db2.gz SJESSGVYNYILGY-WOJBJXKFSA-N 0 0 437.500 1.619 50 0 IDAARN O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCCc2nnc3ccccn32)cc1 ZINC000072313052 556688758 /nfs/dbraw/zinc/68/87/58/556688758.db2.gz HSFADMTVBDAVBT-UHFFFAOYSA-N 0 0 441.435 1.933 50 0 IDAARN CCCS(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000045962190 556688876 /nfs/dbraw/zinc/68/88/76/556688876.db2.gz CJVDLAMDXBGYIO-UHFFFAOYSA-N 0 0 433.559 1.675 50 0 IDAARN CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(S(C)(=O)=O)CC3)C2=O)cc1 ZINC000252489290 556690283 /nfs/dbraw/zinc/69/02/83/556690283.db2.gz JNQONSAOZZOTFF-QGZVFWFLSA-N 0 0 436.534 1.323 50 0 IDAARN COc1cccc(CC(=O)N2CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)c1 ZINC000252490887 556690554 /nfs/dbraw/zinc/69/05/54/556690554.db2.gz LEDACJXULVWTEO-PKOBYXMFSA-N 0 0 447.532 1.279 50 0 IDAARN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000252527769 556691247 /nfs/dbraw/zinc/69/12/47/556691247.db2.gz DIGJCLQWPVZGLW-BZSNNMDCSA-N 0 0 447.561 1.129 50 0 IDAARN Cc1cc(C(=O)N2CCOCC2)ccc1N(C)CC(=O)N1CCN(c2ncccn2)CC1 ZINC000072313270 556693306 /nfs/dbraw/zinc/69/33/06/556693306.db2.gz ZMJZSALZHAETGF-UHFFFAOYSA-N 0 0 438.532 1.042 50 0 IDAARN COCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)ccc21 ZINC000033023553 556693532 /nfs/dbraw/zinc/69/35/32/556693532.db2.gz QUQMMQQXZKIICV-MRXNPFEDSA-N 0 0 449.577 1.927 50 0 IDAARN O=C(Nc1ccc(F)cc1)c1nnc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)s1 ZINC000033024467 556695604 /nfs/dbraw/zinc/69/56/04/556695604.db2.gz DUBSCERCWGTSHA-UHFFFAOYSA-N 0 0 447.492 1.641 50 0 IDAARN O=C(Nc1cccc(F)c1)c1nnc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)s1 ZINC000033024553 556695881 /nfs/dbraw/zinc/69/58/81/556695881.db2.gz RKLGBQLZPXCAAH-UHFFFAOYSA-N 0 0 447.492 1.641 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(C)(C)N1CCOCC1 ZINC000033026712 556703500 /nfs/dbraw/zinc/70/35/00/556703500.db2.gz OWNOHOKJKUFTBZ-GOSISDBHSA-N 0 0 443.635 1.622 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1[C@@H](C)c1ccccc1 ZINC000019201026 556707783 /nfs/dbraw/zinc/70/77/83/556707783.db2.gz AKUKBCRVANJCDG-KRWDZBQOSA-N 0 0 436.516 1.399 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000033028335 556708936 /nfs/dbraw/zinc/70/89/36/556708936.db2.gz PEKWXEMBVPWZPH-KBAYOESNSA-N 0 0 440.587 1.804 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000033028337 556708942 /nfs/dbraw/zinc/70/89/42/556708942.db2.gz PEKWXEMBVPWZPH-BPQIPLTHSA-N 0 0 440.587 1.804 50 0 IDAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013692077 556711666 /nfs/dbraw/zinc/71/16/66/556711666.db2.gz OXJJHGXTIMWYAZ-ZBCRRDGASA-N 0 0 446.978 1.852 50 0 IDAARN CCCS(=O)(=O)c1ncc(CN2CCN(c3ncccn3)CC2)n1C[C@H]1CCCO1 ZINC000019221859 556716223 /nfs/dbraw/zinc/71/62/23/556716223.db2.gz PJMCDZQJNNZZTG-GOSISDBHSA-N 0 0 434.566 1.358 50 0 IDAARN Cc1nc2ncnn2c(C)c1CCC(=O)OCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000019235985 556720479 /nfs/dbraw/zinc/72/04/79/556720479.db2.gz YZUWHRAJOZIAEC-UHFFFAOYSA-N 0 0 440.479 1.705 50 0 IDAARN CCN(CC)C(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072331994 556731070 /nfs/dbraw/zinc/73/10/70/556731070.db2.gz RSYALNRTMODKPL-UHFFFAOYSA-N 0 0 440.500 1.837 50 0 IDAARN CN(CCC(=O)N1CCC(CO)(CCOc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000055036509 556732338 /nfs/dbraw/zinc/73/23/38/556732338.db2.gz CSMNWZSOXTXCST-IBGZPJMESA-N 0 0 438.590 1.566 50 0 IDAARN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(CO)o2)CC3)cc1 ZINC000019300527 556735135 /nfs/dbraw/zinc/73/51/35/556735135.db2.gz PPHJVRSBEDJZCP-UHFFFAOYSA-N 0 0 425.489 1.403 50 0 IDAARN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H]2CCC[C@H](O)C2)c1 ZINC000078875023 556735823 /nfs/dbraw/zinc/73/58/23/556735823.db2.gz ZKUJEARXMSSBPG-STQMWFEESA-N 0 0 449.367 1.655 50 0 IDAARN CCOc1ccccc1N1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)CC1 ZINC000055307366 556739877 /nfs/dbraw/zinc/73/98/77/556739877.db2.gz NOBKSIXISYHLJM-FQEVSTJZSA-N 0 0 426.517 1.718 50 0 IDAARN CSc1nc2nc(C)c(CC(=O)OCC(=O)NCCOc3ccccc3)c(C)n2n1 ZINC000019356644 556745180 /nfs/dbraw/zinc/74/51/80/556745180.db2.gz ZXQMGUKCUCWQES-UHFFFAOYSA-N 0 0 429.502 1.744 50 0 IDAARN CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]1 ZINC000025762165 556745280 /nfs/dbraw/zinc/74/52/80/556745280.db2.gz LIOWMNSJEHKBBW-RRFJBIMHSA-N 0 0 441.444 1.220 50 0 IDAARN COc1ccc(CCNC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000019367984 556746361 /nfs/dbraw/zinc/74/63/61/556746361.db2.gz PTMFTMIBAPJPFL-UHFFFAOYSA-N 0 0 441.528 1.909 50 0 IDAARN O=C(CCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 ZINC000206233755 556748968 /nfs/dbraw/zinc/74/89/68/556748968.db2.gz YEXMHPKHBKMNEG-GOSISDBHSA-N 0 0 432.440 1.377 50 0 IDAARN Cc1cccc([C@@H](CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)N2CCOCC2)c1 ZINC000060370505 556749144 /nfs/dbraw/zinc/74/91/44/556749144.db2.gz FHJPXBXSAKUALU-FBPXKMNZSA-N 0 0 437.606 1.983 50 0 IDAARN O=C(NCc1ccnc(Oc2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000057996131 556751645 /nfs/dbraw/zinc/75/16/45/556751645.db2.gz IKRHFEJOFBTPQF-SJORKVTESA-N 0 0 429.498 1.526 50 0 IDAARN Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000058054540 556755608 /nfs/dbraw/zinc/75/56/08/556755608.db2.gz PQYPMCQKGLVPNF-UHFFFAOYSA-N 0 0 448.553 1.241 50 0 IDAARN Cc1nc(-c2ccccn2)[nH]c(=O)c1CCC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000058063471 556756106 /nfs/dbraw/zinc/75/61/06/556756106.db2.gz OMDSIGOGOKJMPI-UHFFFAOYSA-N 0 0 434.500 1.621 50 0 IDAARN NC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000058061734 556756186 /nfs/dbraw/zinc/75/61/86/556756186.db2.gz ONPAKOWCSURTJY-QGZVFWFLSA-N 0 0 432.502 1.565 50 0 IDAARN O=C(Nc1cnccn1)C1CCN(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 ZINC000058066982 556756415 /nfs/dbraw/zinc/75/64/15/556756415.db2.gz XGZJDFYQHYEHHT-UHFFFAOYSA-N 0 0 433.472 1.964 50 0 IDAARN Cn1cc(C(=O)NC2CCN(C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)cn1 ZINC000058067082 556756453 /nfs/dbraw/zinc/75/64/53/556756453.db2.gz IDZFPGQKEIXXMI-UHFFFAOYSA-N 0 0 435.488 1.451 50 0 IDAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC000058129754 556760016 /nfs/dbraw/zinc/76/00/16/556760016.db2.gz MBKYGRPYTXISTM-OAHLLOKOSA-N 0 0 438.550 1.867 50 0 IDAARN C[C@@H]1Oc2ccc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cc2NC1=O ZINC000058157441 556762981 /nfs/dbraw/zinc/76/29/81/556762981.db2.gz ZYEUBKFLBRSIBZ-ZDUSSCGKSA-N 0 0 430.486 1.920 50 0 IDAARN CNC(=O)c1cn(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cn1 ZINC000062007167 556765412 /nfs/dbraw/zinc/76/54/12/556765412.db2.gz JOYFGFSKDSPEAA-UHFFFAOYSA-N 0 0 437.529 1.463 50 0 IDAARN C[C@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000058163361 556766239 /nfs/dbraw/zinc/76/62/39/556766239.db2.gz YAKKRCWBPIXZCT-OAHLLOKOSA-N 0 0 449.504 1.930 50 0 IDAARN CC(=O)[C@H]1CC(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)=NN1c1ccccc1 ZINC000058225475 556773800 /nfs/dbraw/zinc/77/38/00/556773800.db2.gz OIDNKEYNISZBRY-LJQANCHMSA-N 0 0 438.488 1.290 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3)nn2)s1 ZINC000058224945 556773833 /nfs/dbraw/zinc/77/38/33/556773833.db2.gz KQUZJHJFEXKLFA-UHFFFAOYSA-N 0 0 438.531 1.270 50 0 IDAARN CCn1cnnc1CNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C ZINC000058264917 556776252 /nfs/dbraw/zinc/77/62/52/556776252.db2.gz VWENKUYUHMIIIQ-GOSISDBHSA-N 0 0 437.522 1.079 50 0 IDAARN O=C(Cc1csc(N2CCCC2=O)n1)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000058304529 556778558 /nfs/dbraw/zinc/77/85/58/556778558.db2.gz JCVDRUKLENGECM-UHFFFAOYSA-N 0 0 434.543 1.321 50 0 IDAARN CCn1c(CCC(=O)NC2(C(=O)NC)CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000058310147 556779573 /nfs/dbraw/zinc/77/95/73/556779573.db2.gz CDOJKCFKKRRKEL-UHFFFAOYSA-N 0 0 449.577 1.414 50 0 IDAARN CN1CCN(S(=O)(=O)CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000058420959 556787369 /nfs/dbraw/zinc/78/73/69/556787369.db2.gz RHLNOSPPWWLTLG-SFHVURJKSA-N 0 0 428.986 1.170 50 0 IDAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 ZINC000059259413 556796465 /nfs/dbraw/zinc/79/64/65/556796465.db2.gz SCTBBXZQSPDWOI-UHFFFAOYSA-N 0 0 435.550 1.230 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003250859 556804918 /nfs/dbraw/zinc/80/49/18/556804918.db2.gz IOCAWSRAULGNCO-AWEZNQCLSA-N 0 0 433.486 1.802 50 0 IDAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)C1=O ZINC000022989977 556815064 /nfs/dbraw/zinc/81/50/64/556815064.db2.gz BPMMPBVXMABRIT-NRFANRHFSA-N 0 0 443.529 1.768 50 0 IDAARN CCOC(=O)c1noc2nc(C)n([C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)c(=O)c12 ZINC000033059548 556816174 /nfs/dbraw/zinc/81/61/74/556816174.db2.gz OGXCURYVCZPWID-SNVBAGLBSA-N 0 0 428.401 1.841 50 0 IDAARN C[C@@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)C(=O)NC(N)=O ZINC000003521786 556817037 /nfs/dbraw/zinc/81/70/37/556817037.db2.gz KQLCDUDAWCGFAX-GFCCVEGCSA-N 0 0 426.502 1.936 50 0 IDAARN NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000004177333 556820660 /nfs/dbraw/zinc/82/06/60/556820660.db2.gz LCHBOIZPBNFXQO-UHFFFAOYSA-N 0 0 429.454 1.805 50 0 IDAARN O=C(/C=C\c1ccccc1)OCC(=O)NCCNC(=O)COC(=O)/C=C\c1ccccc1 ZINC000096488251 556821103 /nfs/dbraw/zinc/82/11/03/556821103.db2.gz XYFVTJJIFYIQQP-XSYHWHKQSA-N 0 0 436.464 1.732 50 0 IDAARN CCOc1ccc(/C=C\C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000096503644 556822072 /nfs/dbraw/zinc/82/20/72/556822072.db2.gz WBAJZPWSODYHOS-GHXNOFRVSA-N 0 0 432.498 1.648 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCC4CCOCC4)CC3)CC2=O)cc1 ZINC000072403725 556827772 /nfs/dbraw/zinc/82/77/72/556827772.db2.gz FAJAVZCZJZRECX-IBGZPJMESA-N 0 0 443.544 1.830 50 0 IDAARN CC(C)c1ccc(S(=O)(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)cc1 ZINC000064893438 556828449 /nfs/dbraw/zinc/82/84/49/556828449.db2.gz KGCRKUVRSHYGKD-UHFFFAOYSA-N 0 0 432.546 1.763 50 0 IDAARN CCOC(=O)C1CCN(c2c(NC(=O)COc3ccc(F)cc3)cnn(C)c2=O)CC1 ZINC000065000995 556830349 /nfs/dbraw/zinc/83/03/49/556830349.db2.gz HFLJGRFKXLSZAL-UHFFFAOYSA-N 0 0 432.452 1.716 50 0 IDAARN Cc1nccn1-c1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000062581387 556837883 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CC[C@H](C)NC(=O)Cn1cnc2nc(N3CCC[C@@H](C(=O)NC4CC4)C3)sc2c1=O ZINC000033141542 556877889 /nfs/dbraw/zinc/87/78/89/556877889.db2.gz OREFMCFJGMIKNK-QWHCGFSZSA-N 0 0 432.550 1.263 50 0 IDAARN C[C@]1(C2CCN(C(=O)Cc3ccccc3F)CC2)NC(=O)N(CCN2CCOCC2)C1=O ZINC000019741246 556883153 /nfs/dbraw/zinc/88/31/53/556883153.db2.gz VOHVFZZOJIAQIH-HSZRJFAPSA-N 0 0 446.523 1.250 50 0 IDAARN C[C@H](Cc1ccco1)NC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000033170044 556885249 /nfs/dbraw/zinc/88/52/49/556885249.db2.gz SWDIMFTXMMEQCE-CQSZACIVSA-N 0 0 446.485 1.712 50 0 IDAARN COC(=O)c1ccccc1NC(=O)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000033249821 556891058 /nfs/dbraw/zinc/89/10/58/556891058.db2.gz WMNXJBFGCITLSS-SFHVURJKSA-N 0 0 439.493 1.969 50 0 IDAARN O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000019744951 556891836 /nfs/dbraw/zinc/89/18/36/556891836.db2.gz YYCCCBWTQOUTKS-IBGZPJMESA-N 0 0 427.484 1.993 50 0 IDAARN CCN1CCN(S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)CC1 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CC(=O)c1cccc(NC(=O)Cn2nc3c4sc(N5CCCC5)nc4ncn3c2=O)c1 ZINC000033309076 557090410 /nfs/dbraw/zinc/09/04/10/557090410.db2.gz OGAKJIQIGYCLOD-UHFFFAOYSA-N 0 0 437.485 1.942 50 0 IDAARN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)no1 ZINC000023459191 557092826 /nfs/dbraw/zinc/09/28/26/557092826.db2.gz YILKYEYUZAFTKG-UHFFFAOYSA-N 0 0 432.502 1.915 50 0 IDAARN COc1ccc([C@@H](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)NC(C)=O)cc1 ZINC000023463482 557093221 /nfs/dbraw/zinc/09/32/21/557093221.db2.gz SCFMWADHXBBVHJ-LJQANCHMSA-N 0 0 437.504 1.288 50 0 IDAARN CNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3)nn2)cn1 ZINC000033310098 557093314 /nfs/dbraw/zinc/09/33/14/557093314.db2.gz HNUGFPRIDMLFCD-UHFFFAOYSA-N 0 0 446.514 1.156 50 0 IDAARN O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)NC2CCCCC2)c1=O)NC1CC1 ZINC000049402420 557097977 /nfs/dbraw/zinc/09/79/77/557097977.db2.gz CJUNCHHRAPFYNG-UHFFFAOYSA-N 0 0 438.484 1.637 50 0 IDAARN COc1cc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc(OC)c1 ZINC000049409099 557104044 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0 IDAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)NCc1ccc2c(c1)OCO2 ZINC000585147725 557106649 /nfs/dbraw/zinc/10/66/49/557106649.db2.gz VHZIBFACFHORBJ-UHFFFAOYSA-N 0 0 430.486 1.948 50 0 IDAARN Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)n2)n1 ZINC000049411625 557106926 /nfs/dbraw/zinc/10/69/26/557106926.db2.gz FLNCTPDZKGPHCW-UHFFFAOYSA-N 0 0 426.521 1.861 50 0 biogenic IDAARN O=C(CN1CC(c2nc(-c3ncccn3)no2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000049483167 557109821 /nfs/dbraw/zinc/10/98/21/557109821.db2.gz JSHYPGGTOQEFMS-UHFFFAOYSA-N 0 0 439.907 1.928 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000049643435 557116509 /nfs/dbraw/zinc/11/65/09/557116509.db2.gz VNISTAFPFJQAFP-YJBOKZPZSA-N 0 0 446.529 1.057 50 0 IDAARN COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 ZINC000023818170 557118106 /nfs/dbraw/zinc/11/81/06/557118106.db2.gz QVXAZYRCIWQOBP-OAQYLSRUSA-N 0 0 431.395 1.835 50 0 IDAARN Cn1c(Cc2cccs2)nnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000023818648 557118353 /nfs/dbraw/zinc/11/83/53/557118353.db2.gz JEUHETLQEBURAH-UHFFFAOYSA-N 0 0 434.547 1.845 50 0 IDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1nc(-c2ccccc2)no1 ZINC000023818404 557118387 /nfs/dbraw/zinc/11/83/87/557118387.db2.gz IBHAYXIUJXVWGC-UHFFFAOYSA-N 0 0 427.413 1.893 50 0 IDAARN C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O ZINC000023840435 557119568 /nfs/dbraw/zinc/11/95/68/557119568.db2.gz QKWXXQSPUCSYHI-QFIPXVFZSA-N 0 0 442.541 1.824 50 0 IDAARN C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O ZINC000023840437 557119678 /nfs/dbraw/zinc/11/96/78/557119678.db2.gz QKWXXQSPUCSYHI-JOCHJYFZSA-N 0 0 442.541 1.824 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000023846021 557120164 /nfs/dbraw/zinc/12/01/64/557120164.db2.gz AJFIMZWPJGCHNP-QHCPKHFHSA-N 0 0 434.452 1.747 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000023845666 557120241 /nfs/dbraw/zinc/12/02/41/557120241.db2.gz HSKCIFHFLCKCLO-JOCHJYFZSA-N 0 0 439.424 1.998 50 0 IDAARN CCN1C[C@@H](CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)Oc2ccccc21 ZINC000023847162 557120657 /nfs/dbraw/zinc/12/06/57/557120657.db2.gz UYTFQXTZHDLCGN-GOSISDBHSA-N 0 0 445.589 1.741 50 0 IDAARN CCCn1c2nc(-c3ccc(OC)c(O)c3)n(CCN3CCOCC3)c2c(=O)[nH]c1=O ZINC000023866037 557121293 /nfs/dbraw/zinc/12/12/93/557121293.db2.gz XGEIONJEAFBZQQ-UHFFFAOYSA-N 0 0 429.477 1.010 50 0 IDAARN COc1cc(OC)c(C2=CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(OC)c1 ZINC000024653452 557122010 /nfs/dbraw/zinc/12/20/10/557122010.db2.gz ZEYWKICPWNQVRY-UHFFFAOYSA-N 0 0 439.534 1.244 50 0 IDAARN COc1cc2[nH]c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2cc1OC ZINC000004792526 557125803 /nfs/dbraw/zinc/12/58/03/557125803.db2.gz MDWMIVBHNUANKY-UHFFFAOYSA-N 0 0 441.440 1.532 50 0 IDAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023990108 557130214 /nfs/dbraw/zinc/13/02/14/557130214.db2.gz XMCYRMKYNVUAFT-SJORKVTESA-N 0 0 439.965 1.020 50 0 IDAARN CCCCN(C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000024004527 557131632 /nfs/dbraw/zinc/13/16/32/557131632.db2.gz DREJXTQUIUNJNM-ZUOKHONESA-N 0 0 437.566 1.506 50 0 IDAARN C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000024756752 557134361 /nfs/dbraw/zinc/13/43/61/557134361.db2.gz PGOSKEWYBNVETC-DOMZBBRYSA-N 0 0 444.351 1.054 50 0 IDAARN C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000024756789 557134368 /nfs/dbraw/zinc/13/43/68/557134368.db2.gz GYEFWVKFYANGKH-IUODEOHRSA-N 0 0 444.351 1.054 50 0 IDAARN O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1cccc(Br)c1 ZINC000247307124 557134441 /nfs/dbraw/zinc/13/44/41/557134441.db2.gz HGAUUVFIPKWMGA-GZBFAFLISA-N 0 0 430.324 1.795 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000009086712 557134845 /nfs/dbraw/zinc/13/48/45/557134845.db2.gz UVZSKYMVEDYOFL-OWCLPIDISA-N 0 0 439.534 1.901 50 0 IDAARN COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)ccc1OC(F)F ZINC000024077309 557135460 /nfs/dbraw/zinc/13/54/60/557135460.db2.gz ZETSCVJSFIEFHR-JTQLQIEISA-N 0 0 433.433 1.885 50 0 IDAARN COc1ccc(CN2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 ZINC000024082539 557135902 /nfs/dbraw/zinc/13/59/02/557135902.db2.gz ZMQCHCBHRCIYHJ-UHFFFAOYSA-N 0 0 428.533 1.984 50 0 IDAARN O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000017978972 557135906 /nfs/dbraw/zinc/13/59/06/557135906.db2.gz UKRVXSHBPHUDJX-UHFFFAOYSA-N 0 0 440.481 1.847 50 0 IDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2n1CC ZINC000011421437 557145561 /nfs/dbraw/zinc/14/55/61/557145561.db2.gz KIDCQHGVOIBYFJ-CQSZACIVSA-N 0 0 438.575 1.300 50 0 IDAARN Cn1c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2n(C)c1=O ZINC000024606247 557153153 /nfs/dbraw/zinc/15/31/53/557153153.db2.gz NQUSYFLQGBZZAJ-UHFFFAOYSA-N 0 0 434.543 1.978 50 0 IDAARN COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(C(=O)c2cccs2)CC1 ZINC000024669809 557158300 /nfs/dbraw/zinc/15/83/00/557158300.db2.gz WIRGGMIVCPEEFD-UHFFFAOYSA-N 0 0 430.530 1.578 50 0 IDAARN Nn1c(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nnc1C(F)(F)F ZINC000024715334 557159974 /nfs/dbraw/zinc/15/99/74/557159974.db2.gz PVQJXTMUFRNAIY-UHFFFAOYSA-N 0 0 444.439 1.176 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCSc1nnc(C3CC3)n1Cc1ccco1)c(=O)n2C ZINC000024717940 557160710 /nfs/dbraw/zinc/16/07/10/557160710.db2.gz BPIDJWTVUXDMKR-UHFFFAOYSA-N 0 0 441.517 1.726 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 ZINC000024763164 557164585 /nfs/dbraw/zinc/16/45/85/557164585.db2.gz OLCPWQYIVQTXTB-UHFFFAOYSA-N 0 0 431.474 1.166 50 0 IDAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2ccccc2c1=O ZINC000206803089 557165086 /nfs/dbraw/zinc/16/50/86/557165086.db2.gz DGEUFFBZTBMOGP-KDOFPFPSSA-N 0 0 425.416 1.757 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024775503 557166620 /nfs/dbraw/zinc/16/66/20/557166620.db2.gz UNEAVVKJEBYBOC-UHFFFAOYSA-N 0 0 426.502 1.337 50 0 IDAARN Cc1cc(OC2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)cc(=O)o1 ZINC000206972165 557168543 /nfs/dbraw/zinc/16/85/43/557168543.db2.gz LAGIIGSLDXJBCV-UHFFFAOYSA-N 0 0 438.477 1.826 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(OC)cc1 ZINC000024817034 557168769 /nfs/dbraw/zinc/16/87/69/557168769.db2.gz XXNHGPDRXHOPCX-FQEVSTJZSA-N 0 0 445.541 1.869 50 0 IDAARN Cc1nnc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)s1 ZINC000096129738 557169721 /nfs/dbraw/zinc/16/97/21/557169721.db2.gz LGSQAKMHIKIYIC-UHFFFAOYSA-N 0 0 431.547 1.990 50 0 IDAARN COC(=O)[C@@H](CN1CCN(c2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000024927240 557180249 /nfs/dbraw/zinc/18/02/49/557180249.db2.gz IRRDDUWDHNSBTL-APWZRJJASA-N 0 0 426.439 1.781 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000024928726 557180810 /nfs/dbraw/zinc/18/08/10/557180810.db2.gz SODLDTBFUZSGKN-CABCVRRESA-N 0 0 431.352 1.849 50 0 IDAARN COc1cc(CN(C)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1OC(F)F ZINC000024927967 557180431 /nfs/dbraw/zinc/18/04/31/557180431.db2.gz GKBNYSTWMCHIGN-UHFFFAOYSA-N 0 0 434.399 1.514 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnc4sccn4c3=O)CC2)cc1 ZINC000011555507 557183669 /nfs/dbraw/zinc/18/36/69/557183669.db2.gz BFCBYNCECVOHCG-UHFFFAOYSA-N 0 0 432.527 1.648 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024970546 557183792 /nfs/dbraw/zinc/18/37/92/557183792.db2.gz RXKAGEKIGJLQEU-UHFFFAOYSA-N 0 0 430.529 1.536 50 0 IDAARN CN(CCOc1ccc(Br)cc1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000024986220 557186449 /nfs/dbraw/zinc/18/64/49/557186449.db2.gz JKLVSMQEMRLZKD-UHFFFAOYSA-N 0 0 447.289 1.546 50 0 IDAARN O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2nnn(C[C@@H]3CCCO3)c2=S)C1 ZINC000024988833 557187053 /nfs/dbraw/zinc/18/70/53/557187053.db2.gz ZEVGJXSGUSQAAU-KBPBESRZSA-N 0 0 429.593 1.696 50 0 IDAARN O=C(c1cc(S(=O)(=O)NC2CC2)ccc1Br)N1CCC2(CC1)OCCO2 ZINC000024996236 557188348 /nfs/dbraw/zinc/18/83/48/557188348.db2.gz CNWFNMXZGAKQSO-UHFFFAOYSA-N 0 0 445.335 1.869 50 0 IDAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2)CC1 ZINC000025014467 557189339 /nfs/dbraw/zinc/18/93/39/557189339.db2.gz NYUMSMYMTCNMFA-FQEVSTJZSA-N 0 0 443.525 1.733 50 0 IDAARN COc1ccc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000025080451 557194852 /nfs/dbraw/zinc/19/48/52/557194852.db2.gz NQLMAUCCNMILJE-LJQANCHMSA-N 0 0 446.525 1.978 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc(OC)c1 ZINC000100877438 557196470 /nfs/dbraw/zinc/19/64/70/557196470.db2.gz AIKDHWGZRPBVHD-VZCXRCSSSA-N 0 0 449.510 1.663 50 0 IDAARN COC(=O)c1sccc1NC(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000025219344 557200111 /nfs/dbraw/zinc/20/01/11/557200111.db2.gz ZOBQKNGGNHUNDY-UHFFFAOYSA-N 0 0 430.552 1.805 50 0 IDAARN CCCNC(=O)CNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000025243323 557200806 /nfs/dbraw/zinc/20/08/06/557200806.db2.gz IBNVTDQLKHDZBQ-UHFFFAOYSA-N 0 0 433.530 1.841 50 0 IDAARN CCOC(=O)C1=NO[C@@H]2[C@@H]3C[C@H]([C@@H]12)[C@@H]1C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)[C@@H]31 ZINC000169301381 557201074 /nfs/dbraw/zinc/20/10/74/557201074.db2.gz DWNHDAZTKYKHER-CZNNCAEOSA-N 0 0 442.468 1.431 50 0 IDAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1 ZINC000025285948 557202421 /nfs/dbraw/zinc/20/24/21/557202421.db2.gz CAEKYRLNLXLXRY-UHFFFAOYSA-N 0 0 447.557 1.972 50 0 IDAARN Cn1c(SCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nnc1-c1ccncc1 ZINC000025320485 557203874 /nfs/dbraw/zinc/20/38/74/557203874.db2.gz CKWXQRYGBOFHGE-LJQANCHMSA-N 0 0 438.557 1.986 50 0 IDAARN NC(=O)CCn1c(SCC(=O)NCCc2ccc3c(c2)OCCO3)nnc1C1CC1 ZINC000025450254 557210093 /nfs/dbraw/zinc/21/00/93/557210093.db2.gz DLRGDVBDDNUSNU-UHFFFAOYSA-N 0 0 431.518 1.253 50 0 IDAARN NS(=O)(=O)c1ccc(Br)c(C(=O)OCN2C(=O)c3ccccc3C2=O)c1 ZINC000025445731 557210117 /nfs/dbraw/zinc/21/01/17/557210117.db2.gz OFECIRLZMHEINX-UHFFFAOYSA-N 0 0 439.243 1.507 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000247768638 557214940 /nfs/dbraw/zinc/21/49/40/557214940.db2.gz MROJAWPVLXWBLG-IPMKNSEASA-N 0 0 432.542 1.768 50 0 IDAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000025588092 557217531 /nfs/dbraw/zinc/21/75/31/557217531.db2.gz AKWSMQDRQSTDII-UHFFFAOYSA-N 0 0 436.468 1.862 50 0 IDAARN NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000025607234 557218697 /nfs/dbraw/zinc/21/86/97/557218697.db2.gz NMTSAGMJNGXCQJ-QZTJIDSGSA-N 0 0 436.940 1.027 50 0 IDAARN COc1ccc(CCN2C[C@@H](C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CC2=O)cc1OC ZINC000025638701 557220387 /nfs/dbraw/zinc/22/03/87/557220387.db2.gz KICCUAVDOSGOOB-PMACEKPBSA-N 0 0 445.560 1.418 50 0 IDAARN CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000100062850 557220434 /nfs/dbraw/zinc/22/04/34/557220434.db2.gz ZMYVXNQBLJFNRP-GOSISDBHSA-N 0 0 449.916 1.711 50 0 IDAARN Cc1nc(SCC(=O)NCc2ccccc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000010525775 557222195 /nfs/dbraw/zinc/22/21/95/557222195.db2.gz XUXCCNPITHCPPN-UHFFFAOYSA-N 0 0 427.530 1.863 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000025802089 557226755 /nfs/dbraw/zinc/22/67/55/557226755.db2.gz OVFCBCQOBIXZRU-YJBOKZPZSA-N 0 0 445.607 1.708 50 0 IDAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000025805447 557227144 /nfs/dbraw/zinc/22/71/44/557227144.db2.gz UTMAYLMUCZKGHX-UHFFFAOYSA-N 0 0 434.495 1.986 50 0 IDAARN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(-c3nnnn3C)c2)cc1 ZINC000011336309 557228439 /nfs/dbraw/zinc/22/84/39/557228439.db2.gz BVQCZJPHMSNQNN-UHFFFAOYSA-N 0 0 430.490 1.583 50 0 IDAARN Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000025849805 557228404 /nfs/dbraw/zinc/22/84/04/557228404.db2.gz YKADBGNTXCPCOM-INIZCTEOSA-N 0 0 445.497 1.498 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 ZINC000025995211 557231841 /nfs/dbraw/zinc/23/18/41/557231841.db2.gz ZCTRTPWGOARVBN-UHFFFAOYSA-N 0 0 441.509 1.243 50 0 IDAARN COCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O ZINC000247817681 557232179 /nfs/dbraw/zinc/23/21/79/557232179.db2.gz CBFVFKZESBYWGA-NRTGNBEESA-N 0 0 434.290 1.322 50 0 IDAARN O=c1n(Cc2nc(Cc3ccccc3)no2)nc2n1CCN(Cc1ccccc1F)C2=O ZINC000098213051 557236027 /nfs/dbraw/zinc/23/60/27/557236027.db2.gz KVLHVYXGUYWDTC-UHFFFAOYSA-N 0 0 434.431 1.862 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n(C)c1 ZINC000026133209 557236192 /nfs/dbraw/zinc/23/61/92/557236192.db2.gz BXBJRWQCGGFYNS-UHFFFAOYSA-N 0 0 447.513 1.440 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 ZINC000098213067 557236333 /nfs/dbraw/zinc/23/63/33/557236333.db2.gz YJPFWHCFXHVJRU-UHFFFAOYSA-N 0 0 425.420 1.487 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000026147943 557236504 /nfs/dbraw/zinc/23/65/04/557236504.db2.gz GFQYUUOHHNKUKD-UHFFFAOYSA-N 0 0 432.550 1.539 50 0 IDAARN COc1cccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)c1 ZINC000098213174 557236619 /nfs/dbraw/zinc/23/66/19/557236619.db2.gz BVJJXQCZJGOQDZ-UHFFFAOYSA-N 0 0 425.420 1.487 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3F)CC2)C[C@H](C)O1 ZINC000026193061 557237048 /nfs/dbraw/zinc/23/70/48/557237048.db2.gz PZGJPQWJNSCNRW-IYBDPMFKSA-N 0 0 428.530 1.126 50 0 IDAARN CCc1nn2c(nc(COC(=O)CCn3c4ccccc4n(CC)c3=O)cc2=O)s1 ZINC000026293840 557238696 /nfs/dbraw/zinc/23/86/96/557238696.db2.gz UUDRPYOEYINCLS-UHFFFAOYSA-N 0 0 427.486 1.983 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)C(N)=O ZINC000604405929 557239194 /nfs/dbraw/zinc/23/91/94/557239194.db2.gz XDAHCMQFGLPHPM-SZEPBZDZSA-N 0 0 432.473 1.906 50 0 biogenic IDAARN COc1c2c(c(CNC(=O)c3c(C)cc(C)n(C)c3=O)c3c1C(=O)N(C)CC3)OCO2 ZINC000604405969 557239268 /nfs/dbraw/zinc/23/92/68/557239268.db2.gz VDSQQFIPZHDVJK-UHFFFAOYSA-N 0 0 427.457 1.298 50 0 biogenic IDAARN Cc1noc(C)c1COc1cc(=O)n2c(c1C(=O)NCCN1CCOCC1)CCCCC2 ZINC000583648802 557241632 /nfs/dbraw/zinc/24/16/32/557241632.db2.gz QSVNGODVHNCTNW-UHFFFAOYSA-N 0 0 444.532 1.821 50 0 IDAARN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1C ZINC000018135244 557242567 /nfs/dbraw/zinc/24/25/67/557242567.db2.gz VKMCWHWYCNASPG-UHFFFAOYSA-N 0 0 428.514 1.982 50 0 IDAARN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)c1 ZINC000026537592 557243855 /nfs/dbraw/zinc/24/38/55/557243855.db2.gz MUUMEZAMULNHNV-LJQANCHMSA-N 0 0 427.505 1.597 50 0 IDAARN COc1cc(OC)cc(C(=O)N2CCN(Cn3ncc(Cl)c(Cl)c3=O)CC2)c1 ZINC000026687382 557246501 /nfs/dbraw/zinc/24/65/01/557246501.db2.gz HUNBOJWXLFDLKJ-UHFFFAOYSA-N 0 0 427.288 1.983 50 0 IDAARN CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)CCN1Cc2ccccc2C1=O ZINC000604405186 557248647 /nfs/dbraw/zinc/24/86/47/557248647.db2.gz MJXWDUHRJGHNAH-IBGZPJMESA-N 0 0 437.496 1.749 50 0 biogenic IDAARN COc1cc([C@@H](CC(=O)NCCc2ncn(C)n2)c2oc(C)cc(=O)c2O)ccc1O ZINC000604405173 557248696 /nfs/dbraw/zinc/24/86/96/557248696.db2.gz LRVVAJBWKMXSET-CQSZACIVSA-N 0 0 428.445 1.377 50 0 biogenic IDAARN CN(C)C(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c2ccccc2O1 ZINC000026870094 557249792 /nfs/dbraw/zinc/24/97/92/557249792.db2.gz OGCXOMWWEXLOLZ-LJQANCHMSA-N 0 0 446.529 1.306 50 0 IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)N[C@@H]1CCS(=O)(=O)C1 ZINC000604418887 557251117 /nfs/dbraw/zinc/25/11/17/557251117.db2.gz MFUGPRONNQXILA-YJYMSZOUSA-N 0 0 425.466 1.105 50 0 IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N[C@H]1CCS(=O)(=O)C1 ZINC000604418886 557251157 /nfs/dbraw/zinc/25/11/57/557251157.db2.gz MFUGPRONNQXILA-ORAYPTAESA-N 0 0 425.466 1.105 50 0 IDAARN Cn1c2ncn(CC(=O)N[C@H](c3cccs3)c3ccc4c(c3)CCC4)c2c(=O)n(C)c1=O ZINC000018235381 557253739 /nfs/dbraw/zinc/25/37/39/557253739.db2.gz HIGIPHMMRVCUHZ-IBGZPJMESA-N 0 0 449.536 1.890 50 0 IDAARN CCN1c2ccccc2/C(=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)C1=O ZINC000027021069 557255253 /nfs/dbraw/zinc/25/52/53/557255253.db2.gz YAWNVRZKOLMYGB-QCPHZMBFSA-N 0 0 432.461 1.948 50 0 IDAARN CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000000814402 557255691 /nfs/dbraw/zinc/25/56/91/557255691.db2.gz YUCKXMVIWVZZQU-INIZCTEOSA-N 0 0 437.499 1.898 50 0 IDAARN CCCCn1c(N)c(N(CC(=O)N2CCO[C@@H](C)C2)Cc2ccccc2)c(=O)[nH]c1=O ZINC000027315963 557260104 /nfs/dbraw/zinc/26/01/04/557260104.db2.gz JPTBWKNQOCPKMU-INIZCTEOSA-N 0 0 429.521 1.173 50 0 IDAARN NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000027355515 557260806 /nfs/dbraw/zinc/26/08/06/557260806.db2.gz AIIUCMCIYFPMOA-UHFFFAOYSA-N 0 0 431.514 1.453 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(CN1CCC(NS(=O)(=O)c3cccs3)CC1)C2=O ZINC000027534890 557264483 /nfs/dbraw/zinc/26/44/83/557264483.db2.gz WMQDXNWYCNINRW-UHFFFAOYSA-N 0 0 440.591 1.949 50 0 IDAARN COc1cccc(N2C(=O)C[C@@H](N(O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3=O)C2=O)c1 ZINC000101254655 557264973 /nfs/dbraw/zinc/26/49/73/557264973.db2.gz WMUSFXPHCBVQSB-QZTJIDSGSA-N 0 0 439.424 1.359 50 0 IDAARN CCOC(=O)N1CCC(Nc2ncc3c(=O)n(-c4ccccc4F)c(=O)[nH]c3n2)CC1 ZINC000101328904 557273706 /nfs/dbraw/zinc/27/37/06/557273706.db2.gz GDTFVEBZKVYATF-UHFFFAOYSA-N 0 0 428.424 1.641 50 0 IDAARN CCOC(=O)N1CCC(Nc2ncc3c(=O)n(Cc4ccccc4F)c(=O)[nH]c3n2)CC1 ZINC000101328880 557273728 /nfs/dbraw/zinc/27/37/28/557273728.db2.gz DETLRGBEQUADQN-UHFFFAOYSA-N 0 0 442.451 1.700 50 0 IDAARN CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccccc3OC)c2=O)C[C@H]1c1cccnc1 ZINC000101401091 557280175 /nfs/dbraw/zinc/28/01/75/557280175.db2.gz ZXFJWEGOYGOCNF-INIZCTEOSA-N 0 0 435.440 1.723 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)CC1 ZINC000018321573 557289569 /nfs/dbraw/zinc/28/95/69/557289569.db2.gz CORGHTSHLQPIAX-UHFFFAOYSA-N 0 0 431.514 1.374 50 0 IDAARN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2NCCc2ccc(OC)c(OC)c2)CC1 ZINC000101535102 557290796 /nfs/dbraw/zinc/29/07/96/557290796.db2.gz JDJZQKDANIJGOM-UHFFFAOYSA-N 0 0 431.489 1.987 50 0 IDAARN COc1ccccc1CNC(=O)c1ccc(CNc2c(=O)c(=O)c2N2CCOCC2)cc1 ZINC000101597244 557291318 /nfs/dbraw/zinc/29/13/18/557291318.db2.gz QJBXZJSEMYLCCY-UHFFFAOYSA-N 0 0 435.480 1.670 50 0 IDAARN COc1ccccc1CNC(=O)C1CCC(CNc2c(=O)c(=O)c2N2CCOCC2)CC1 ZINC000101624625 557292807 /nfs/dbraw/zinc/29/28/07/557292807.db2.gz YRGIYYRJLLUJBY-UHFFFAOYSA-N 0 0 441.528 1.663 50 0 IDAARN CC(C)(CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1)N1CCOCC1 ZINC000101703393 557294284 /nfs/dbraw/zinc/29/42/84/557294284.db2.gz HXIWKJKBUCFSFS-UHFFFAOYSA-N 0 0 432.952 1.785 50 0 IDAARN CCCn1c(=O)[nH]nc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000014092839 557302129 /nfs/dbraw/zinc/30/21/29/557302129.db2.gz TWHPOSWVQJMFHU-GFCCVEGCSA-N 0 0 427.552 1.787 50 0 IDAARN CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 ZINC000014094709 557302730 /nfs/dbraw/zinc/30/27/30/557302730.db2.gz POKIPGICPSLWML-HXUWFJFHSA-N 0 0 429.454 1.258 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000014167697 557312951 /nfs/dbraw/zinc/31/29/51/557312951.db2.gz DCFHHEPVRAMMQU-WMZOPIPTSA-N 0 0 426.535 1.479 50 0 IDAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCC(C)CC1 ZINC000102306947 557316287 /nfs/dbraw/zinc/31/62/87/557316287.db2.gz WQPAJXKZFGBCAQ-UHFFFAOYSA-N 0 0 436.505 1.682 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1C ZINC000102325724 557319035 /nfs/dbraw/zinc/31/90/35/557319035.db2.gz VJOFIPHKADYWFZ-SOUVJXGZSA-N 0 0 430.457 1.874 50 0 IDAARN Cn1c2nc(N3CCOCC3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000000832596 557326286 /nfs/dbraw/zinc/32/62/86/557326286.db2.gz BTBIBVAKWAWQEX-UHFFFAOYSA-N 0 0 434.294 1.081 50 0 biogenic IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccccc1 ZINC000100137518 557332934 /nfs/dbraw/zinc/33/29/34/557332934.db2.gz CTLPEIZGMLTZQX-SFHVURJKSA-N 0 0 434.330 1.318 50 0 IDAARN Cc1sc2nc(CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)[nH]c(=O)c2c1C ZINC000014672392 557347760 /nfs/dbraw/zinc/34/77/60/557347760.db2.gz ZKPGUPFAOGOQPA-LLVKDONJSA-N 0 0 439.588 1.999 50 0 IDAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220676858 557363543 /nfs/dbraw/zinc/36/35/43/557363543.db2.gz PGFLOSLDUPJVFP-AWEZNQCLSA-N 0 0 427.436 1.597 50 0 IDAARN Cc1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1S(=O)(=O)N1CCOCC1 ZINC000023680903 557371390 /nfs/dbraw/zinc/37/13/90/557371390.db2.gz NOANSSPZFAJTLF-DNVCBOLYSA-N 0 0 439.559 1.408 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000023747263 557372985 /nfs/dbraw/zinc/37/29/85/557372985.db2.gz PXGDJGMXVSNASR-UHFFFAOYSA-N 0 0 429.498 1.522 50 0 IDAARN Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccco2)cc1 ZINC000100229906 557375564 /nfs/dbraw/zinc/37/55/64/557375564.db2.gz WILNNEXLSOHUSY-LJQANCHMSA-N 0 0 448.357 1.626 50 0 IDAARN O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2CN2CCN(c3ncccn3)CC2)C1 ZINC000023883423 557376749 /nfs/dbraw/zinc/37/67/49/557376749.db2.gz LSNSMACVATYTNP-KRWDZBQOSA-N 0 0 426.546 1.583 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102868313 557404784 /nfs/dbraw/zinc/40/47/84/557404784.db2.gz IXVNDXKDVOKAKG-CALCHBBNSA-N 0 0 433.530 1.391 50 0 IDAARN COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000247902758 557420502 /nfs/dbraw/zinc/42/05/02/557420502.db2.gz ZPMNAXXVSPZAGJ-BMFZPTHFSA-N 0 0 444.937 1.245 50 0 IDAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000103515211 557438137 /nfs/dbraw/zinc/43/81/37/557438137.db2.gz CBFVFKZESBYWGA-QCUYGVNKSA-N 0 0 434.290 1.322 50 0 IDAARN COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000103681579 557440246 /nfs/dbraw/zinc/44/02/46/557440246.db2.gz LLDYTUDIHGQVJW-GVDBMIGSSA-N 0 0 439.559 1.065 50 0 IDAARN COC(=O)CC1CCN(C(=O)CC[C@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000223216426 557447168 /nfs/dbraw/zinc/44/71/68/557447168.db2.gz QJSICWRQTOTQIM-GOSISDBHSA-N 0 0 431.489 1.698 50 0 IDAARN COC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318420 557469825 /nfs/dbraw/zinc/46/98/25/557469825.db2.gz SAQSRFNHSYMIPF-HXUWFJFHSA-N 0 0 438.484 1.827 50 0 IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000105378479 557496906 /nfs/dbraw/zinc/49/69/06/557496906.db2.gz SQGPABFIJDWYSY-PEBCPHBVSA-N 0 0 449.507 1.559 50 0 biogenic IDAARN C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000105380503 557497052 /nfs/dbraw/zinc/49/70/52/557497052.db2.gz OKERUZQAHHXNIF-SRPXWDDNSA-N 0 0 439.899 1.684 50 0 biogenic IDAARN CCc1ccc2c(c1)[C@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000105379217 557497056 /nfs/dbraw/zinc/49/70/56/557497056.db2.gz WZMLRSVHAXQUKU-JVKJCLAXSA-N 0 0 433.508 1.593 50 0 biogenic IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)n(C)c1 ZINC000018396821 557512433 /nfs/dbraw/zinc/51/24/33/557512433.db2.gz BVOZDIADCFTOFW-UHFFFAOYSA-N 0 0 434.518 1.946 50 0 IDAARN COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000012029789 557524938 /nfs/dbraw/zinc/52/49/38/557524938.db2.gz JMVNJXIOIAMRGP-INIZCTEOSA-N 0 0 439.511 1.917 50 0 IDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1 ZINC000012080691 557527534 /nfs/dbraw/zinc/52/75/34/557527534.db2.gz VTALHWPVTWTCLB-CQSZACIVSA-N 0 0 443.934 1.181 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)cc1 ZINC000211074928 557533157 /nfs/dbraw/zinc/53/31/57/557533157.db2.gz ADBBSGWARBKQFT-UHFFFAOYSA-N 0 0 445.501 1.320 50 0 IDAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2SC(N)=C3C(=O)Oc4ccccc4[C@@H]3[C@H]2C1=O ZINC000107165397 557534758 /nfs/dbraw/zinc/53/47/58/557534758.db2.gz VDJYLKBQDGNOHS-BFYDXBDKSA-N 0 0 436.445 1.951 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC(=O)NC2CCCCC2)C1=O ZINC000045913490 557547319 /nfs/dbraw/zinc/54/73/19/557547319.db2.gz LQNKSCCOKZRFDW-UHFFFAOYSA-N 0 0 449.573 1.781 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC(=O)NCc2ccco2)C1=O ZINC000045913507 557547330 /nfs/dbraw/zinc/54/73/30/557547330.db2.gz JWVVAOUZTFMIMB-UHFFFAOYSA-N 0 0 447.513 1.241 50 0 IDAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)N3CCC(C)CC3)c2=O)cc1 ZINC000045921987 557547778 /nfs/dbraw/zinc/54/77/78/557547778.db2.gz JMJVQGGOPCGXQD-UHFFFAOYSA-N 0 0 448.523 1.699 50 0 IDAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000045921991 557547884 /nfs/dbraw/zinc/54/78/84/557547884.db2.gz WXEYEQVGFAORNF-UHFFFAOYSA-N 0 0 434.496 1.500 50 0 IDAARN Cc1ccc(CNC(=O)c2nc(-c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)no2)cc1 ZINC000045946693 557551081 /nfs/dbraw/zinc/55/10/81/557551081.db2.gz DHKOLUKSYSCKGB-UHFFFAOYSA-N 0 0 432.440 1.528 50 0 IDAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc4cccnc4n(C)c3=O)C2)c1OC ZINC000045967525 557557225 /nfs/dbraw/zinc/55/72/25/557557225.db2.gz TVTCJAKTBBNOAQ-MRXNPFEDSA-N 0 0 437.500 1.879 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000045970018 557557624 /nfs/dbraw/zinc/55/76/24/557557624.db2.gz PRNKKHXUBJPFFA-UHFFFAOYSA-N 0 0 431.470 1.466 50 0 IDAARN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCN1CCOCC1 ZINC000038556537 557593223 /nfs/dbraw/zinc/59/32/23/557593223.db2.gz LHBBOXQSDIWEGA-UHFFFAOYSA-N 0 0 445.585 1.589 50 0 IDAARN COc1cc2c(cc1OC)CN(CCNC(=O)CCn1nnc3ccccc3c1=O)CC2 ZINC000040150329 557703701 /nfs/dbraw/zinc/70/37/01/557703701.db2.gz QCHOOWXTKQPLIB-UHFFFAOYSA-N 0 0 437.500 1.373 50 0 IDAARN Cc1oc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000040154680 557705598 /nfs/dbraw/zinc/70/55/98/557705598.db2.gz VSKCIUHHYPHVFR-UHFFFAOYSA-N 0 0 446.529 1.802 50 0 IDAARN CCCn1c(=O)c2c(nc1N1CCN(C(=O)COc3ccc(F)cc3)CC1)c(C)nn2C ZINC000028559171 557720665 /nfs/dbraw/zinc/72/06/65/557720665.db2.gz GHKGZJSSESMXFS-UHFFFAOYSA-N 0 0 442.495 1.715 50 0 IDAARN CC(=O)N[C@@](C)(C(=O)NCc1ccnc(OCC2CC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225480238 557727949 /nfs/dbraw/zinc/72/79/49/557727949.db2.gz PCZIOMBDPHEQIE-JOCHJYFZSA-N 0 0 445.541 1.942 50 0 IDAARN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC000225486505 557728658 /nfs/dbraw/zinc/72/86/58/557728658.db2.gz VREKFVOPOGKVES-HXUWFJFHSA-N 0 0 446.548 1.758 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(OC)c(O)c2)c1 ZINC000225497456 557730368 /nfs/dbraw/zinc/73/03/68/557730368.db2.gz BYYGEUAWXRBTLY-UHFFFAOYSA-N 0 0 435.502 1.800 50 0 IDAARN C[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1nncn1C ZINC000225579067 557746073 /nfs/dbraw/zinc/74/60/73/557746073.db2.gz ZLQSJHOJKGDFMQ-NSHDSACASA-N 0 0 430.328 1.166 50 0 IDAARN CCN1CCN(c2nc3ncn(C[C@@H](O)COCc4cccs4)c(=O)c3s2)CC1 ZINC000225660265 557758648 /nfs/dbraw/zinc/75/86/48/557758648.db2.gz UPLKFTSPQWPUCT-CQSZACIVSA-N 0 0 435.575 1.634 50 0 IDAARN COC(=O)c1ccccc1N(C)C(=O)COC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC000225664149 557759023 /nfs/dbraw/zinc/75/90/23/557759023.db2.gz FXIPGHHKGOTEOK-QHCPKHFHSA-N 0 0 440.452 1.386 50 0 IDAARN O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1-n1cnnn1 ZINC000225722934 557768693 /nfs/dbraw/zinc/76/86/93/557768693.db2.gz NIEXZBKYWHGOTB-KRWDZBQOSA-N 0 0 438.463 1.249 50 0 IDAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCOCC1 ZINC000030595753 557777476 /nfs/dbraw/zinc/77/74/76/557777476.db2.gz UMTZKGQVCHUYDT-CYBMUJFWSA-N 0 0 433.324 1.470 50 0 IDAARN CCCn1c(=O)[nH]nc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000018523955 557829379 /nfs/dbraw/zinc/82/93/79/557829379.db2.gz HDHPANMGDRHYRM-UHFFFAOYSA-N 0 0 439.563 1.160 50 0 IDAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 ZINC000000859434 557831616 /nfs/dbraw/zinc/83/16/16/557831616.db2.gz PBFURKMOUOWFGW-UYAOXDASSA-N 0 0 442.578 1.580 50 0 IDAARN COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(C[C@H]5CCCO5)C(=O)[C@@H]24)O3)cc(OC)c1OC ZINC000230068239 557835306 /nfs/dbraw/zinc/83/53/06/557835306.db2.gz LQAIALVFPHCXFW-QWNSIRQHSA-N 0 0 444.484 1.612 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)c2ccccc2)cc1 ZINC000000864190 557838157 /nfs/dbraw/zinc/83/81/57/557838157.db2.gz JPDBIVZUEGUBKQ-QGZVFWFLSA-N 0 0 431.514 1.882 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](N2CCc3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000239403330 557844536 /nfs/dbraw/zinc/84/45/36/557844536.db2.gz RTRYJIOTUZUULJ-PPGORRQASA-N 0 0 449.456 1.132 50 0 IDAARN COCCn1cc([C@@H]2[C@@H](C(=O)NC[C@@H](C)CN3CCOCC3)CC(=O)N2C(C)(C)C)cn1 ZINC000239869289 557845282 /nfs/dbraw/zinc/84/52/82/557845282.db2.gz CXZFREUDMVKACZ-SLYNCCJLSA-N 0 0 449.596 1.302 50 0 IDAARN CCN1CCO[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000240412833 557845325 /nfs/dbraw/zinc/84/53/25/557845325.db2.gz FOBCPXCGCDBSHZ-LMMKCTJWSA-N 0 0 438.569 1.118 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCCN(CCO)S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000240668563 557845550 /nfs/dbraw/zinc/84/55/50/557845550.db2.gz HNKXTVJAMBEGIM-UHFFFAOYSA-N 0 0 440.587 1.882 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 ZINC000000886322 557855573 /nfs/dbraw/zinc/85/55/73/557855573.db2.gz AGSRGYDMNNSWNA-UHFFFAOYSA-N 0 0 433.914 1.415 50 0 IDAARN COCCn1cnc2c1c(=O)n(C[C@H](O)COc1cc(C)ccc1C)c(=O)n2CC(C)C ZINC000025058994 557862544 /nfs/dbraw/zinc/86/25/44/557862544.db2.gz NNOIUQSBQMPKDI-SFHVURJKSA-N 0 0 444.532 1.719 50 0 IDAARN COc1ccc(N(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000000971738 562919828 /nfs/dbraw/zinc/91/98/28/562919828.db2.gz OJGGRLOLPMGKMP-MRXNPFEDSA-N 0 0 447.513 1.582 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1cccnc1 ZINC000001850699 562924850 /nfs/dbraw/zinc/92/48/50/562924850.db2.gz VLVQBCPQUOXMNL-SFHVURJKSA-N 0 0 449.320 1.200 50 0 IDAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@]12c1cc(Br)ccc1NC2=O ZINC000002482359 562928183 /nfs/dbraw/zinc/92/81/83/562928183.db2.gz PPBUKIHVBPNXSO-SFHVURJKSA-N 0 0 437.246 1.850 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3nc(-c4ccccc4Cl)cs3)c2c(=O)n(C)c1=O ZINC000002628386 562928777 /nfs/dbraw/zinc/92/87/77/562928777.db2.gz IVAWNIXUCBFRKV-UHFFFAOYSA-N 0 0 430.877 1.849 50 0 IDAARN O=C(CN1C(=O)COc2ccccc21)NCCCN1CCN(c2ccccc2F)CC1 ZINC000002954117 562931204 /nfs/dbraw/zinc/93/12/04/562931204.db2.gz GHKIASCUYOZWRM-UHFFFAOYSA-N 0 0 426.492 1.880 50 0 IDAARN COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccco1 ZINC000002974316 562931450 /nfs/dbraw/zinc/93/14/50/562931450.db2.gz AOVSJCQIWUVOCF-UHFFFAOYSA-N 0 0 433.486 1.910 50 0 IDAARN O=C(COc1ncnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003277575 562933627 /nfs/dbraw/zinc/93/36/27/562933627.db2.gz WAPPKLLYAFFVGZ-UHFFFAOYSA-N 0 0 428.470 1.668 50 0 IDAARN NC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 ZINC000003306125 562933979 /nfs/dbraw/zinc/93/39/79/562933979.db2.gz XAYNGLGMRBXSSD-UHFFFAOYSA-N 0 0 427.526 1.771 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000003315789 562934129 /nfs/dbraw/zinc/93/41/29/562934129.db2.gz GCNJCUUAOBHZNQ-LJQANCHMSA-N 0 0 447.495 1.976 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCc3ccccc32)cc1 ZINC000003358205 562934743 /nfs/dbraw/zinc/93/47/43/562934743.db2.gz BIYUXDKFQVZQMP-UHFFFAOYSA-N 0 0 445.497 1.398 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000003357460 562934754 /nfs/dbraw/zinc/93/47/54/562934754.db2.gz CJWKINWXMSZAQT-UHFFFAOYSA-N 0 0 429.420 1.788 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000003355383 562934773 /nfs/dbraw/zinc/93/47/73/562934773.db2.gz BYPKJSIKIQKUCI-HNNXBMFYSA-N 0 0 435.483 1.319 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000003408267 562935299 /nfs/dbraw/zinc/93/52/99/562935299.db2.gz SJYXSHXWVVNWAO-UHFFFAOYSA-N 0 0 435.933 1.911 50 0 IDAARN COc1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 ZINC000003410806 562935354 /nfs/dbraw/zinc/93/53/54/562935354.db2.gz DPOJCEISJJGMKS-UHFFFAOYSA-N 0 0 434.503 1.238 50 0 IDAARN O=C(CNC(=O)c1ccccc1F)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000003439122 562935824 /nfs/dbraw/zinc/93/58/24/562935824.db2.gz LZCSZLBCGOFZKH-UHFFFAOYSA-N 0 0 441.431 1.367 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 ZINC000003498749 562936290 /nfs/dbraw/zinc/93/62/90/562936290.db2.gz AWYYUOPNOHKLRV-UHFFFAOYSA-N 0 0 429.506 1.044 50 0 aggregator IDAARN CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000004034489 562940864 /nfs/dbraw/zinc/94/08/64/562940864.db2.gz BVBZOPNLECQAPN-UHFFFAOYSA-N 0 0 433.530 1.715 50 0 IDAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000004099540 562941781 /nfs/dbraw/zinc/94/17/81/562941781.db2.gz AIJJBHKIQPVLOQ-UHFFFAOYSA-N 0 0 432.440 1.390 50 0 IDAARN Cc1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1 ZINC000004166132 562942482 /nfs/dbraw/zinc/94/24/82/562942482.db2.gz XUJGSTGUEQKYAR-HNNXBMFYSA-N 0 0 439.534 1.754 50 0 IDAARN COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000004195444 562942636 /nfs/dbraw/zinc/94/26/36/562942636.db2.gz MNMVEWPWCMIJJM-UHFFFAOYSA-N 0 0 434.514 1.454 50 0 IDAARN C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)C1 ZINC000006530685 562947097 /nfs/dbraw/zinc/94/70/97/562947097.db2.gz XVGHTSDUGWIMLB-KBPBESRZSA-N 0 0 429.550 1.498 50 0 IDAARN CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 ZINC000006577452 562947591 /nfs/dbraw/zinc/94/75/91/562947591.db2.gz NVANLPJIGKGRNG-JTQLQIEISA-N 0 0 435.893 1.932 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000007255542 562948712 /nfs/dbraw/zinc/94/87/12/562948712.db2.gz NMSIJMKFXSWEOR-CYBMUJFWSA-N 0 0 425.507 1.256 50 0 IDAARN CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2S[C@@H](C)C(=O)OC)cc1 ZINC000006578197 562948034 /nfs/dbraw/zinc/94/80/34/562948034.db2.gz ZKANHMPJCSXUGP-NSHDSACASA-N 0 0 431.474 1.287 50 0 IDAARN Cc1nnc(SCCn2c(N3C[C@H](C)C[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 ZINC000008461995 562949530 /nfs/dbraw/zinc/94/95/30/562949530.db2.gz QHVSFWPACQAEFF-PHIMTYICSA-N 0 0 435.579 1.858 50 0 IDAARN COc1ccc(NC(=O)Cn2c3ccc(S(=O)(=O)NC(C)C)cc3oc2=O)cc1OC ZINC000008583654 562949789 /nfs/dbraw/zinc/94/97/89/562949789.db2.gz YSYPLHDNFATXJU-UHFFFAOYSA-N 0 0 449.485 1.937 50 0 IDAARN CCOC(=O)[C@@H](C)Sc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1 ZINC000008589399 562951190 /nfs/dbraw/zinc/95/11/90/562951190.db2.gz QUAYQPICUJQWNS-CYBMUJFWSA-N 0 0 435.531 1.689 50 0 IDAARN O=C1C(=O)N(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCN1Cc1ccccc1 ZINC000008599679 562954832 /nfs/dbraw/zinc/95/48/32/562954832.db2.gz IMKWUFDQGQMWTQ-UHFFFAOYSA-N 0 0 445.516 1.850 50 0 IDAARN Cc1ccc(OCC(=O)NCC(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 ZINC000008605397 562956734 /nfs/dbraw/zinc/95/67/34/562956734.db2.gz IZSZHOVPSAJJMU-UHFFFAOYSA-N 0 0 444.513 1.896 50 0 IDAARN COc1ccc(C)cc1NC(=O)NCCn1nnc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008608317 562957523 /nfs/dbraw/zinc/95/75/23/562957523.db2.gz IAJFABLWWSQSQM-UHFFFAOYSA-N 0 0 432.506 1.820 50 0 IDAARN COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)c1 ZINC000008670598 562960705 /nfs/dbraw/zinc/96/07/05/562960705.db2.gz RTPBXNWLSULTHQ-HNNXBMFYSA-N 0 0 430.486 1.949 50 0 IDAARN O=C(COC(=O)c1cccnc1Nc1ccccc1F)NCCN1C(=O)CSC1=O ZINC000008686257 562962734 /nfs/dbraw/zinc/96/27/34/562962734.db2.gz UNPXDEKRXSDGCU-UHFFFAOYSA-N 0 0 432.433 1.933 50 0 IDAARN COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000008690845 562963311 /nfs/dbraw/zinc/96/33/11/562963311.db2.gz GRYCXMKNKLYEBT-HKUYNNGSSA-N 0 0 440.456 1.440 50 0 IDAARN COc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000008774374 562964067 /nfs/dbraw/zinc/96/40/67/562964067.db2.gz WTIRRIWKSKGDGD-UHFFFAOYSA-N 0 0 447.440 1.886 50 0 IDAARN CCn1c(COC(=O)CNC(=O)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008826050 562964475 /nfs/dbraw/zinc/96/44/75/562964475.db2.gz CZGGQDFHSBDVBM-UHFFFAOYSA-N 0 0 444.513 1.780 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009041329 562966718 /nfs/dbraw/zinc/96/67/18/562966718.db2.gz WLPGKGMUPYCTLI-FBKCMUNRSA-N 0 0 438.527 1.767 50 0 IDAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000009130619 562967636 /nfs/dbraw/zinc/96/76/36/562967636.db2.gz UGRDUZRSYVJYFX-MBBOSUJBSA-N 0 0 440.481 1.876 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000009275202 562968726 /nfs/dbraw/zinc/96/87/26/562968726.db2.gz MDHMHJKEVHNDLL-CYBMUJFWSA-N 0 0 432.458 1.032 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000009275203 562968736 /nfs/dbraw/zinc/96/87/36/562968736.db2.gz MDHMHJKEVHNDLL-ZDUSSCGKSA-N 0 0 432.458 1.032 50 0 IDAARN CCn1cc(C(=O)N[C@H](C(=O)NC(C)(C)CO)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000009410385 562970324 /nfs/dbraw/zinc/97/03/24/562970324.db2.gz DRXWLGVWIFPQCC-SFHVURJKSA-N 0 0 431.489 1.392 50 0 IDAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1 ZINC000009416809 562970430 /nfs/dbraw/zinc/97/04/30/562970430.db2.gz PVVBSCOCLDVQBS-UHFFFAOYSA-N 0 0 444.535 1.468 50 0 IDAARN O=C(COC(=O)c1ccncc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000009438603 562971066 /nfs/dbraw/zinc/97/10/66/562971066.db2.gz WDSHUJLFKAVEFQ-UHFFFAOYSA-N 0 0 439.877 1.551 50 0 IDAARN CC(=O)N/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)NCCCO ZINC000009462402 562971472 /nfs/dbraw/zinc/97/14/72/562971472.db2.gz JZCFMTVEDKVAML-XSFVSMFZSA-N 0 0 432.498 1.738 50 0 IDAARN CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000009519609 562972891 /nfs/dbraw/zinc/97/28/91/562972891.db2.gz LPYBLNYDMNBRHZ-IAGOWNOFSA-N 0 0 449.573 1.919 50 0 IDAARN CCN(C(=O)COC(=O)c1cc(OC)ccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000009544856 562973120 /nfs/dbraw/zinc/97/31/20/562973120.db2.gz NLVGNGYTVXWLAH-NSHDSACASA-N 0 0 434.308 1.650 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)c1 ZINC000009577724 562973410 /nfs/dbraw/zinc/97/34/10/562973410.db2.gz ABCJQNGJXDLIBW-FQEVSTJZSA-N 0 0 445.541 1.473 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CCCCC2)c1 ZINC000009577730 562973430 /nfs/dbraw/zinc/97/34/30/562973430.db2.gz NLWKOBQHPQKNDS-LJQANCHMSA-N 0 0 437.562 1.606 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000009587391 562973632 /nfs/dbraw/zinc/97/36/32/562973632.db2.gz UTEWTVCTMNADCR-UHFFFAOYSA-N 0 0 437.543 1.974 50 0 IDAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000009633079 562974446 /nfs/dbraw/zinc/97/44/46/562974446.db2.gz MHKOHYPSMDFTLY-CQSZACIVSA-N 0 0 447.513 1.920 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000009662486 562974834 /nfs/dbraw/zinc/97/48/34/562974834.db2.gz PKUPOHFWSDYWBL-QZEKMECESA-N 0 0 431.514 1.691 50 0 IDAARN C[C@H](c1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1)N(C)C ZINC000009662072 562974855 /nfs/dbraw/zinc/97/48/55/562974855.db2.gz LZYIZAIBEFVWSH-ZBFHGGJFSA-N 0 0 437.591 1.628 50 0 IDAARN O=S(=O)(c1cccs1)N1CCOC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000009708524 562975690 /nfs/dbraw/zinc/97/56/90/562975690.db2.gz YIIZHWPNUNFABW-UHFFFAOYSA-N 0 0 428.557 1.950 50 0 IDAARN COc1ccccc1-c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1C ZINC000009713615 562975744 /nfs/dbraw/zinc/97/57/44/562975744.db2.gz OPCXIGBNPHAAOG-UHFFFAOYSA-N 0 0 428.474 1.233 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccncc1 ZINC000009715260 562975923 /nfs/dbraw/zinc/97/59/23/562975923.db2.gz GFIQHCKVMMWLLH-GOSISDBHSA-N 0 0 430.530 1.448 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccn2)c1 ZINC000009715698 562975957 /nfs/dbraw/zinc/97/59/57/562975957.db2.gz SHVMMHMZWAEKEL-GOSISDBHSA-N 0 0 430.530 1.284 50 0 IDAARN CCOCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O ZINC000009724516 562976116 /nfs/dbraw/zinc/97/61/16/562976116.db2.gz BHHJVOMFYDGHIU-UHFFFAOYSA-N 0 0 435.546 1.870 50 0 IDAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000009724637 562976144 /nfs/dbraw/zinc/97/61/44/562976144.db2.gz IWLJLWJTTFKYKA-KXBFYZLASA-N 0 0 447.557 1.868 50 0 IDAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000009798415 562977023 /nfs/dbraw/zinc/97/70/23/562977023.db2.gz YUWYVNHVLWBWOT-UHFFFAOYSA-N 0 0 437.525 1.903 50 0 IDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000009806887 562977054 /nfs/dbraw/zinc/97/70/54/562977054.db2.gz MOUXEBFOXKOCGS-HNNXBMFYSA-N 0 0 441.962 1.987 50 0 IDAARN O=C(CN1CCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009869285 562977693 /nfs/dbraw/zinc/97/76/93/562977693.db2.gz VXMHTEZQMGWSLM-UHFFFAOYSA-N 0 0 436.578 1.732 50 0 IDAARN CCN(C(=O)Cn1c2ccc(S(=O)(=O)N3CCOCC3)cc2oc1=O)c1ccccc1 ZINC000009962126 562977957 /nfs/dbraw/zinc/97/79/57/562977957.db2.gz IKSYEEDPOYCMJJ-UHFFFAOYSA-N 0 0 445.497 1.669 50 0 IDAARN CCCCN(C(=O)Cn1c2ccccc2ncc1=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000009960875 562977964 /nfs/dbraw/zinc/97/79/64/562977964.db2.gz CGOAZZXGNBTGKF-UHFFFAOYSA-N 0 0 426.477 1.072 50 0 IDAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 ZINC000010151219 562978512 /nfs/dbraw/zinc/97/85/12/562978512.db2.gz VUEIQNPKGGKVBK-GJZGRUSLSA-N 0 0 442.509 1.508 50 0 IDAARN COC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000010273029 562978611 /nfs/dbraw/zinc/97/86/11/562978611.db2.gz LUIZNRTUWKQHNG-LJQANCHMSA-N 0 0 446.481 1.959 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)NC(=O)N[C@@H]1C ZINC000012888255 562983441 /nfs/dbraw/zinc/98/34/41/562983441.db2.gz BUYLENRVMRVWML-SECBINFHSA-N 0 0 444.271 1.785 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000012941403 562983506 /nfs/dbraw/zinc/98/35/06/562983506.db2.gz GIBCDUQRJRUDQA-INIZCTEOSA-N 0 0 433.486 1.270 50 0 IDAARN C[C@@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012998976 562983836 /nfs/dbraw/zinc/98/38/36/562983836.db2.gz OTJHPPYDFRQIFX-CYBMUJFWSA-N 0 0 448.497 1.997 50 0 IDAARN CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013069131 562984223 /nfs/dbraw/zinc/98/42/23/562984223.db2.gz HDMBOJOQBWWULA-QGZVFWFLSA-N 0 0 444.575 1.137 50 0 IDAARN O=C1NC(=S)NC(=O)C12[C@H](c1ccc(F)cc1)NC(=S)N[C@H]2c1ccc(F)cc1 ZINC000013110829 562984539 /nfs/dbraw/zinc/98/45/39/562984539.db2.gz UDWDDKIXDYGXST-KBPBESRZSA-N 0 0 432.477 1.742 50 0 IDAARN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)cc1 ZINC000013131559 562985006 /nfs/dbraw/zinc/98/50/06/562985006.db2.gz JJGWOCRPVQWXQG-UHFFFAOYSA-N 0 0 438.937 1.217 50 0 IDAARN COC(=O)CN(c1nc(C)c(Br)c(OC)n1)S(=O)(=O)c1ccccc1 ZINC000013151722 562985502 /nfs/dbraw/zinc/98/55/02/562985502.db2.gz PYVMLRADOBITNR-UHFFFAOYSA-N 0 0 430.280 1.924 50 0 IDAARN Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000015221168 563017688 /nfs/dbraw/zinc/01/76/88/563017688.db2.gz FYFIIDCBJJFOGQ-AWEZNQCLSA-N 0 0 434.470 1.250 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000015936983 563019121 /nfs/dbraw/zinc/01/91/21/563019121.db2.gz DPSPPZWKWUTORL-UHFFFAOYSA-N 0 0 430.486 1.789 50 0 IDAARN NS(=O)(=O)c1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000015941477 563019415 /nfs/dbraw/zinc/01/94/15/563019415.db2.gz VORBHHCKNCFZMS-UHFFFAOYSA-N 0 0 429.476 1.495 50 0 IDAARN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)c1 ZINC000015942140 563019589 /nfs/dbraw/zinc/01/95/89/563019589.db2.gz XAEUPWJJVYUOHW-UHFFFAOYSA-N 0 0 430.486 1.949 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn32)cc1 ZINC000015943326 563019937 /nfs/dbraw/zinc/01/99/37/563019937.db2.gz ABPZPJAUXNJCMB-UHFFFAOYSA-N 0 0 437.504 1.624 50 0 IDAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCN3CCOCC3)c(C)o2)c1 ZINC000015944249 563020170 /nfs/dbraw/zinc/02/01/70/563020170.db2.gz VFIUOSVWBBARDH-UHFFFAOYSA-N 0 0 437.518 1.022 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000016048051 563020814 /nfs/dbraw/zinc/02/08/14/563020814.db2.gz QCNJZMLSTPZYLV-HNNXBMFYSA-N 0 0 431.470 1.500 50 0 IDAARN CCN1CCN(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000020241870 563024280 /nfs/dbraw/zinc/02/42/80/563024280.db2.gz FJYRGLSZTAGKRG-UHFFFAOYSA-N 0 0 448.589 1.627 50 0 IDAARN COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c1 ZINC000027190334 563040325 /nfs/dbraw/zinc/04/03/25/563040325.db2.gz VCCZILVDYJYFGD-QHCPKHFHSA-N 0 0 438.484 1.868 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000036351564 563093390 /nfs/dbraw/zinc/09/33/90/563093390.db2.gz MESKWLXKTLBNGU-UHFFFAOYSA-N 0 0 444.985 1.881 50 0 IDAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000036384054 563094300 /nfs/dbraw/zinc/09/43/00/563094300.db2.gz OOOCLVDWCGKVEX-UHFFFAOYSA-N 0 0 441.532 1.196 50 0 IDAARN O=C(NCc1ccncc1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945246 563142818 /nfs/dbraw/zinc/14/28/18/563142818.db2.gz VUICCJGSADOGDO-OAQYLSRUSA-N 0 0 433.512 1.971 50 0 IDAARN O=C(NCc1cccnc1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945244 563142836 /nfs/dbraw/zinc/14/28/36/563142836.db2.gz UTMMVHQVIFIJGY-OAQYLSRUSA-N 0 0 433.512 1.971 50 0 IDAARN O=S(=O)(c1cccnc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373427 568613920 /nfs/dbraw/zinc/61/39/20/568613920.db2.gz KNDYELZDDHBQCT-IBGZPJMESA-N 0 0 444.557 1.781 50 0 IDAARN Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 ZINC000015032795 568633230 /nfs/dbraw/zinc/63/32/30/568633230.db2.gz GILZJIPWODULFU-INIZCTEOSA-N 0 0 446.577 1.705 50 0 IDAARN CN(CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000025114024 568636613 /nfs/dbraw/zinc/63/66/13/568636613.db2.gz NXVVPJBMZFCISP-UHFFFAOYSA-N 0 0 434.493 1.823 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)NCc1ccccc1 ZINC000019077234 568637435 /nfs/dbraw/zinc/63/74/35/568637435.db2.gz TXNYPXMMWYQZCN-UHFFFAOYSA-N 0 0 431.543 1.314 50 0 IDAARN O=C1c2ccccc2C(=O)N1CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019078868 568638885 /nfs/dbraw/zinc/63/88/85/568638885.db2.gz UTKXGOMHSXGZNW-UHFFFAOYSA-N 0 0 443.510 1.251 50 0 IDAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)N2C(=O)CCC2=O)sc2c1CCCC2 ZINC000001056427 568654069 /nfs/dbraw/zinc/65/40/69/568654069.db2.gz YKVAZRFFBXEBJU-LLVKDONJSA-N 0 0 436.486 1.823 50 0 IDAARN CCOC(=O)C1C(CN2C(=O)C(=O)N(C(C)C)C2=O)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000031673250 568741584 /nfs/dbraw/zinc/74/15/84/568741584.db2.gz CUTYETFJKCOEMK-INIZCTEOSA-N 0 0 444.444 1.066 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)NCC1CCN(C(=O)c2snnc2C)CC1 ZINC000043958300 568744668 /nfs/dbraw/zinc/74/46/68/568744668.db2.gz BGDNIFPVMWJJDO-UHFFFAOYSA-N 0 0 444.560 1.525 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000044005807 568745693 /nfs/dbraw/zinc/74/56/93/568745693.db2.gz JCLBIVUAVGAQGI-UHFFFAOYSA-N 0 0 440.541 1.857 50 0 IDAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCOCC3)c2)cc1 ZINC000003318697 568746000 /nfs/dbraw/zinc/74/60/00/568746000.db2.gz PBCYYAOZRQCSSI-UHFFFAOYSA-N 0 0 448.497 1.536 50 0 IDAARN CCc1nc(-c2ccc(N3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc2)no1 ZINC000044094800 568748102 /nfs/dbraw/zinc/74/81/02/568748102.db2.gz WKFRDVOSKHCJHX-UHFFFAOYSA-N 0 0 448.549 1.014 50 0 IDAARN CCN(C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)[C@@H]1CCS(=O)(=O)C1 ZINC000003376718 568748352 /nfs/dbraw/zinc/74/83/52/568748352.db2.gz GGURNLJGYJSXSQ-YJYMSZOUSA-N 0 0 438.527 1.194 50 0 IDAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCCN1C(=O)c2ccccc2C1=O ZINC000003448489 568749552 /nfs/dbraw/zinc/74/95/52/568749552.db2.gz MYZPADRGMMLATN-UHFFFAOYSA-N 0 0 441.465 1.345 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000015270139 568753886 /nfs/dbraw/zinc/75/38/86/568753886.db2.gz APEVCCMVFYPDMP-UHFFFAOYSA-N 0 0 426.292 1.855 50 0 IDAARN COC(=O)c1cn(CCc2nc(COc3ccc(OC)cc3)no2)cc2c(=O)[nH]nc1-2 ZINC000263588299 568760946 /nfs/dbraw/zinc/76/09/46/568760946.db2.gz RMXCCAPWGWKQCY-UHFFFAOYSA-N 0 0 425.401 1.676 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000015391586 568761718 /nfs/dbraw/zinc/76/17/18/568761718.db2.gz FNEFWVWVNHWZNZ-CYBMUJFWSA-N 0 0 434.470 1.559 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000015391584 568761746 /nfs/dbraw/zinc/76/17/46/568761746.db2.gz FNEFWVWVNHWZNZ-ZDUSSCGKSA-N 0 0 434.470 1.559 50 0 IDAARN CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1 ZINC000001252548 568775061 /nfs/dbraw/zinc/77/50/61/568775061.db2.gz VELLQBKHOJLNSX-JTQLQIEISA-N 0 0 441.307 1.348 50 0 IDAARN CCCNC(=O)CN1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 ZINC000263617422 568777269 /nfs/dbraw/zinc/77/72/69/568777269.db2.gz NSPJMYJDXFKQGT-SFHVURJKSA-N 0 0 446.939 1.487 50 0 IDAARN CN1CCN(C(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccccc3)C4)CC2)CC1 ZINC000263618823 568777808 /nfs/dbraw/zinc/77/78/08/568777808.db2.gz VRVXMXJWEDEVBO-OAQYLSRUSA-N 0 0 437.544 1.781 50 0 IDAARN COc1ccc(-c2nn3ccn(Cc4nc(-c5cnccn5)no4)c(=O)c3c2CO)cc1 ZINC000263619252 568778046 /nfs/dbraw/zinc/77/80/46/568778046.db2.gz XRZPCKCNJLGHDY-UHFFFAOYSA-N 0 0 431.412 1.552 50 0 IDAARN CN(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2F)c1 ZINC000223157747 568781934 /nfs/dbraw/zinc/78/19/34/568781934.db2.gz ONKLTQKHTJLPEX-WOJBJXKFSA-N 0 0 449.504 1.754 50 0 IDAARN CN(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000223157164 568781956 /nfs/dbraw/zinc/78/19/56/568781956.db2.gz QLZGDXAWTRKJFP-PMACEKPBSA-N 0 0 431.514 1.615 50 0 IDAARN CCc1ccc([C@H](COC)NC(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)o1 ZINC000083825386 568782565 /nfs/dbraw/zinc/78/25/65/568782565.db2.gz GIYCZZRUEWFLHA-HNNXBMFYSA-N 0 0 426.491 1.641 50 0 IDAARN COc1ccc(OC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000083950014 568786630 /nfs/dbraw/zinc/78/66/30/568786630.db2.gz NOYZDETXTNJBML-CQSZACIVSA-N 0 0 425.484 1.380 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c(=O)nc3SC)CC2)cc1 ZINC000084019572 568789964 /nfs/dbraw/zinc/78/99/64/568789964.db2.gz ALTMSGYACIJRFI-UHFFFAOYSA-N 0 0 438.531 1.368 50 0 IDAARN O=C(CCc1ccsc1)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019196341 568791959 /nfs/dbraw/zinc/79/19/59/568791959.db2.gz JZHHZGYXCJVUJK-UHFFFAOYSA-N 0 0 436.555 1.898 50 0 IDAARN C[C@@H](O)CCN(C)C(=O)C(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000084637185 568799385 /nfs/dbraw/zinc/79/93/85/568799385.db2.gz ORSPAHPPVMYPLU-GFCCVEGCSA-N 0 0 431.420 1.975 50 0 IDAARN CCCC(=O)NC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000084739886 568800838 /nfs/dbraw/zinc/80/08/38/568800838.db2.gz SZBPPQFLYGFQMP-HNNXBMFYSA-N 0 0 441.550 1.137 50 0 IDAARN Cn1c2ncn(CCCC(=O)N3CCN(c4ccccc4Cl)CC3)c2c(=O)n(C)c1=O ZINC000015658057 568801207 /nfs/dbraw/zinc/80/12/07/568801207.db2.gz WTAPCWHMJJFHSX-UHFFFAOYSA-N 0 0 444.923 1.216 50 0 IDAARN Cc1ccc(-c2ccc(=O)n(CC(=O)OC(C)C)n2)cc1S(=O)(=O)N1CCOCC1 ZINC000015669203 568801914 /nfs/dbraw/zinc/80/19/14/568801914.db2.gz WHZIYPJVTTVMFH-UHFFFAOYSA-N 0 0 435.502 1.191 50 0 IDAARN CN1C(C(=O)N2CCN(C(=O)c3ccco3)CC2)=CC(c2ccc(F)cc2)=NS1(=O)=O ZINC000015673438 568803352 /nfs/dbraw/zinc/80/33/52/568803352.db2.gz VICJXLXMSCOUCX-UHFFFAOYSA-N 0 0 446.460 1.267 50 0 IDAARN COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)c1OC ZINC000015677831 568804985 /nfs/dbraw/zinc/80/49/85/568804985.db2.gz RNMRSWLWVMXALK-KRWDZBQOSA-N 0 0 425.551 1.763 50 0 IDAARN C[C@H](NC(=O)CCc1nnc2ccc(N3CCOCC3)nn21)c1ccc2c(c1)OCCO2 ZINC000015678947 568805323 /nfs/dbraw/zinc/80/53/23/568805323.db2.gz LEWIGSOLBKLBJN-HNNXBMFYSA-N 0 0 438.488 1.542 50 0 IDAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCCCN1CCOCC1 ZINC000015734390 568816287 /nfs/dbraw/zinc/81/62/87/568816287.db2.gz NZBMLGCSFPKMBS-UHFFFAOYSA-N 0 0 441.580 1.650 50 0 IDAARN CC=C1C(NCC(=O)NCCCN2CCCC2=O)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000015735788 568816763 /nfs/dbraw/zinc/81/67/63/568816763.db2.gz WJZUBBSXJKYVRK-UHFFFAOYSA-N 0 0 432.546 1.576 50 0 IDAARN CC(C)(CNC1=NS(=O)(=O)c2ccccc21)CNC1=NS(=O)(=O)c2ccccc21 ZINC000001461779 568819855 /nfs/dbraw/zinc/81/98/55/568819855.db2.gz RPAFGOPOSYCWGX-UHFFFAOYSA-N 0 0 432.527 1.490 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCc1cccnc1)N2C(C)=O ZINC000015775928 568823564 /nfs/dbraw/zinc/82/35/64/568823564.db2.gz HIJCXKMMXHPZIV-HXUWFJFHSA-N 0 0 430.530 1.706 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCc1ccccn1)N2C(C)=O ZINC000015775927 568823643 /nfs/dbraw/zinc/82/36/43/568823643.db2.gz KCDBTSJOUNZFEX-FQEVSTJZSA-N 0 0 430.530 1.706 50 0 IDAARN O=C(CCc1nnc2ccc(NCc3ccccc3Cl)nn21)NCCN1CCOCC1 ZINC000015776207 568823770 /nfs/dbraw/zinc/82/37/70/568823770.db2.gz XLLTZMIPVMUHJG-UHFFFAOYSA-N 0 0 443.939 1.771 50 0 IDAARN CCOC(=O)[C@@H]1[C@H](c2cn(-c3nc(C)cc(C)n3)nc2C)NC(=O)N[C@]1(O)C(F)(F)F ZINC000001480258 568824503 /nfs/dbraw/zinc/82/45/03/568824503.db2.gz OFEIUHZNGSZWKK-GDZNZVCISA-N 0 0 442.398 1.372 50 0 IDAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCCN4CCCC4=O)C3)ccc21 ZINC000015784408 568827438 /nfs/dbraw/zinc/82/74/38/568827438.db2.gz IRBQISHIQQHJLQ-GOSISDBHSA-N 0 0 446.573 1.708 50 0 IDAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCCN4CCOCC4)C3)ccc21 ZINC000015784385 568827473 /nfs/dbraw/zinc/82/74/73/568827473.db2.gz ZBCIJOYWSRWIQT-LJQANCHMSA-N 0 0 448.589 1.418 50 0 IDAARN O=C(CN1C(=O)CCc2cc(Br)ccc21)N1CCN(c2ncccn2)CC1 ZINC000015785383 568829582 /nfs/dbraw/zinc/82/95/82/568829582.db2.gz GJEWSNRGKZVZSY-UHFFFAOYSA-N 0 0 430.306 1.867 50 0 IDAARN CCCN1C(=O)c2c(C(=O)NC(C)C)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000085664924 568833910 /nfs/dbraw/zinc/83/39/10/568833910.db2.gz OZVKELHHUADODG-HSZRJFAPSA-N 0 0 441.532 1.971 50 0 IDAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000085877708 568838279 /nfs/dbraw/zinc/83/82/79/568838279.db2.gz WTDGQQPUGRYXCQ-QGZVFWFLSA-N 0 0 428.470 1.306 50 0 biogenic IDAARN CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000015822213 568840005 /nfs/dbraw/zinc/84/00/05/568840005.db2.gz KNVVPVYGGWYNKM-UHFFFAOYSA-N 0 0 433.486 1.984 50 0 IDAARN COc1ccc(NC(=O)COc2cc(CSc3nnnn3C)ncc2OC)c(OC)c1 ZINC000015824143 568840354 /nfs/dbraw/zinc/84/03/54/568840354.db2.gz BRSYVVWYKNFUDJ-UHFFFAOYSA-N 0 0 446.489 1.941 50 0 IDAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)N1CCN(c3ccccc3)CC1)c(=O)n2C ZINC000015880368 568853850 /nfs/dbraw/zinc/85/38/50/568853850.db2.gz KARSSYCONIBJBA-UHFFFAOYSA-N 0 0 437.500 1.151 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccccc3F)CC2)cc1 ZINC000015881655 568856016 /nfs/dbraw/zinc/85/60/16/568856016.db2.gz AKMRQOIPVBOVFN-UHFFFAOYSA-N 0 0 435.521 1.636 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 ZINC000015882340 568856300 /nfs/dbraw/zinc/85/63/00/568856300.db2.gz MWYLFCZBLDEJOL-UHFFFAOYSA-N 0 0 433.534 1.223 50 0 IDAARN Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c1n(C)c(=O)n(C)c2=O ZINC000015882247 568856818 /nfs/dbraw/zinc/85/68/18/568856818.db2.gz HUACSTSHIKHRDS-UHFFFAOYSA-N 0 0 427.408 1.720 50 0 IDAARN COc1cn(CC(=O)NCc2ccccc2Cl)c(CSc2nnnn2C)cc1=O ZINC000015883877 568858145 /nfs/dbraw/zinc/85/81/45/568858145.db2.gz NSUQIHFTDXZGDQ-UHFFFAOYSA-N 0 0 434.909 1.643 50 0 IDAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000015883958 568858266 /nfs/dbraw/zinc/85/82/66/568858266.db2.gz DPNMGQYNUXLTGS-UHFFFAOYSA-N 0 0 429.440 1.902 50 0 IDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000015957053 568859976 /nfs/dbraw/zinc/85/99/76/568859976.db2.gz JBPHKLSPHJFFQO-ADFWDLAYSA-N 0 0 449.507 1.613 50 0 biogenic IDAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCN(c4ccc5nncn5n4)C3)cc2)co1 ZINC000575414470 568860850 /nfs/dbraw/zinc/86/08/50/568860850.db2.gz PWRYPGCVKFWSMY-OAHLLOKOSA-N 0 0 425.474 1.645 50 0 IDAARN CN1c2ccccc2N(C2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)S1(=O)=O ZINC000575414186 568861036 /nfs/dbraw/zinc/86/10/36/568861036.db2.gz LHMYMCSHTLVCID-UHFFFAOYSA-N 0 0 443.529 1.390 50 0 IDAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CCNC(=O)C3CC3)CC2)c(C)c1C ZINC000012936774 568866246 /nfs/dbraw/zinc/86/62/46/568866246.db2.gz IJKDTPXAZCDQKU-UHFFFAOYSA-N 0 0 435.590 1.978 50 0 IDAARN CCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)CC1 ZINC000012946114 568870978 /nfs/dbraw/zinc/87/09/78/568870978.db2.gz GATVVDWRFKNYOW-UHFFFAOYSA-N 0 0 438.937 1.738 50 0 IDAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012948389 568871588 /nfs/dbraw/zinc/87/15/88/568871588.db2.gz QCGZOQRXNKAWGE-OAHLLOKOSA-N 0 0 446.529 1.417 50 0 IDAARN CN(C)c1nc(CNC(=O)c2ccccc2S(=O)(=O)C(F)F)nc(N2CCCC2)n1 ZINC000575608315 568878459 /nfs/dbraw/zinc/87/84/59/568878459.db2.gz XVDUBMLSANEOGR-UHFFFAOYSA-N 0 0 440.476 1.464 50 0 IDAARN COc1cccc(-c2cc(C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)n(C)n2)c1 ZINC000575609976 568878794 /nfs/dbraw/zinc/87/87/94/568878794.db2.gz DNIPRDPNGZJXAP-UHFFFAOYSA-N 0 0 445.487 1.429 50 0 IDAARN Cn1c(=O)oc2ccc(S(=O)(=O)Nc3cc4c(cc3F)N(C)S(=O)(=O)N4C)cc21 ZINC000575612366 568879435 /nfs/dbraw/zinc/87/94/35/568879435.db2.gz LZVGLAIMGVESJI-UHFFFAOYSA-N 0 0 442.450 1.202 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1 ZINC000575612704 568879502 /nfs/dbraw/zinc/87/95/02/568879502.db2.gz NYCIENPTBJEYAP-JOCHJYFZSA-N 0 0 432.542 1.981 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)CC1 ZINC000575614051 568879892 /nfs/dbraw/zinc/87/98/92/568879892.db2.gz VSKPMXPVKDOMEK-CQSZACIVSA-N 0 0 447.355 1.281 50 0 IDAARN CC(C)COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000575614873 568881091 /nfs/dbraw/zinc/88/10/91/568881091.db2.gz BCDXPWRLISEQJS-UHFFFAOYSA-N 0 0 433.596 1.518 50 0 IDAARN CN(C)S(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000575616057 568881518 /nfs/dbraw/zinc/88/15/18/568881518.db2.gz PGAUNOWLQLEMRQ-UHFFFAOYSA-N 0 0 436.456 1.279 50 0 IDAARN C[C@@H](C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)n1nc(C2CC2)ccc1=O ZINC000575621615 568883074 /nfs/dbraw/zinc/88/30/74/568883074.db2.gz ZSAJUOMEPVUGJG-AWEZNQCLSA-N 0 0 437.500 1.576 50 0 IDAARN O=C1CCCN1c1cc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccn1 ZINC000575620905 568883176 /nfs/dbraw/zinc/88/31/76/568883176.db2.gz WKJXFSTUUJNYLI-UHFFFAOYSA-N 0 0 428.470 1.340 50 0 IDAARN O=C(Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)NC[C@@H]1CCCO1 ZINC000009517808 568883621 /nfs/dbraw/zinc/88/36/21/568883621.db2.gz SBBNKVRIPGQGOS-ZDUSSCGKSA-N 0 0 438.366 1.171 50 0 IDAARN Cc1ccc(-c2noc(COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 ZINC000012972472 568889298 /nfs/dbraw/zinc/88/92/98/568889298.db2.gz VRJXIOSJAALQJZ-AWEZNQCLSA-N 0 0 432.458 1.254 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000012972997 568889410 /nfs/dbraw/zinc/88/94/10/568889410.db2.gz HGBQMYPTDYXINH-DYESRHJHSA-N 0 0 433.530 1.108 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)ncn2)cc1 ZINC000090607953 568890697 /nfs/dbraw/zinc/89/06/97/568890697.db2.gz GKQGQXIEFZOOQJ-UHFFFAOYSA-N 0 0 427.490 1.964 50 0 IDAARN CCOC(=O)C1CCN(c2nc(C)cc(=O)n2CC(=O)NCc2cccc(OC)c2)CC1 ZINC000090610192 568892105 /nfs/dbraw/zinc/89/21/05/568892105.db2.gz WCSPMJLUHFDKAI-UHFFFAOYSA-N 0 0 442.516 1.656 50 0 IDAARN O=C(c1ccoc1)N1CCC(CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC000090616711 568892394 /nfs/dbraw/zinc/89/23/94/568892394.db2.gz WJBLYPLFNOZSPT-UHFFFAOYSA-N 0 0 443.525 1.946 50 0 IDAARN O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000090612733 568892414 /nfs/dbraw/zinc/89/24/14/568892414.db2.gz JOSANOSBZRRDTF-KRWDZBQOSA-N 0 0 437.452 1.429 50 0 IDAARN COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3-c3ccc(=O)[nH]n3)c2=O)cc1 ZINC000090613984 568892467 /nfs/dbraw/zinc/89/24/67/568892467.db2.gz SEOPXRGZBOSJRI-UHFFFAOYSA-N 0 0 431.408 1.537 50 0 IDAARN C[C@@H]1c2cc(NC(=O)C(=O)NC[C@@H](O)c3ccc4c(c3)CCO4)cc3c2N(CCC3)C1=O ZINC000090610678 568892482 /nfs/dbraw/zinc/89/24/82/568892482.db2.gz DUFCGTNFYFJYME-BFUOFWGJSA-N 0 0 435.480 1.806 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000012986865 568895104 /nfs/dbraw/zinc/89/51/04/568895104.db2.gz ACIHZXYHEFMTFK-UHFFFAOYSA-N 0 0 434.518 1.885 50 0 IDAARN COCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000012984826 568895444 /nfs/dbraw/zinc/89/54/44/568895444.db2.gz TZFVFRSALYYKRR-UHFFFAOYSA-N 0 0 429.720 1.494 50 0 IDAARN COc1ccc(/C=C/C(=O)N(C)Cc2cccnc2)cc1S(=O)(=O)N1CCOCC1 ZINC000032967286 568895949 /nfs/dbraw/zinc/89/59/49/568895949.db2.gz HXWCXQBAEZDYNU-SOFGYWHQSA-N 0 0 431.514 1.783 50 0 IDAARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524729054 568903652 /nfs/dbraw/zinc/90/36/52/568903652.db2.gz ARKAUXOWBLLZPQ-SFHVURJKSA-N 0 0 430.457 1.323 50 0 biogenic IDAARN O=C1[C@H]2[C@H](C(=O)N1Cc1cccnc1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(Cc3cccnc3)C(=O)[C@H]21 ZINC000239378407 568911438 /nfs/dbraw/zinc/91/14/38/568911438.db2.gz OROWPZZWTYLNEV-RKGSWTEASA-N 0 0 428.448 1.195 50 0 IDAARN CN(CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000241231030 568912223 /nfs/dbraw/zinc/91/22/23/568912223.db2.gz KRJBVVJCMRLVKJ-WMLDXEAASA-N 0 0 431.961 1.851 50 0 IDAARN NC(=O)C1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000245256961 568914168 /nfs/dbraw/zinc/91/41/68/568914168.db2.gz UPYLCSPPBWDNKK-RUCARUNLSA-N 0 0 428.533 1.063 50 0 IDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000245325265 568915042 /nfs/dbraw/zinc/91/50/42/568915042.db2.gz DOUIWKYWWJPRLI-JIKAFRPASA-N 0 0 439.899 1.950 50 0 IDAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000026770770 568916520 /nfs/dbraw/zinc/91/65/20/568916520.db2.gz QXLRMUFDIUWRLF-UHFFFAOYSA-N 0 0 448.469 1.951 50 0 IDAARN C[C@H]1CN(S(=O)(=O)N2CCN(c3ncnc4c5ccccc5oc43)CC2)C[C@H](C)O1 ZINC000026776445 568916590 /nfs/dbraw/zinc/91/65/90/568916590.db2.gz TVOTVPUYHUTNSN-GJZGRUSLSA-N 0 0 431.518 1.852 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncnc4c5ccccc5oc43)CC2)C[C@@H](C)O1 ZINC000026776441 568916638 /nfs/dbraw/zinc/91/66/38/568916638.db2.gz TVOTVPUYHUTNSN-HUUCEWRRSA-N 0 0 431.518 1.852 50 0 IDAARN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](CCSC)NC(N)=O)CC1 ZINC000089396273 568922318 /nfs/dbraw/zinc/92/23/18/568922318.db2.gz VNIPERSPTHLMEW-JKSUJKDBSA-N 0 0 442.969 1.488 50 0 IDAARN COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](CCSC)NC(N)=O)CC1 ZINC000089396264 568922324 /nfs/dbraw/zinc/92/23/24/568922324.db2.gz VNIPERSPTHLMEW-HZPDHXFCSA-N 0 0 442.969 1.488 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O ZINC000013100172 568926067 /nfs/dbraw/zinc/92/60/67/568926067.db2.gz PFZPCOYJEPDTEZ-OAQYLSRUSA-N 0 0 442.497 1.583 50 0 IDAARN COc1cccc(CN2CCC[C@@]3(CCN(c4cncc(C(N)=O)n4)C3)C2=O)c1OC ZINC000426397621 568941086 /nfs/dbraw/zinc/94/10/86/568941086.db2.gz RDGDSVAWVOIMMF-QFIPXVFZSA-N 0 0 425.489 1.612 50 0 IDAARN COCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(C)C ZINC000036069499 568945472 /nfs/dbraw/zinc/94/54/72/568945472.db2.gz GWLXTOPBSSWGDW-UHFFFAOYSA-N 0 0 425.533 1.984 50 0 IDAARN O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085172 568947841 /nfs/dbraw/zinc/94/78/41/568947841.db2.gz BJBKWRMQFBCJAL-HNNXBMFYSA-N 0 0 442.422 1.630 50 0 IDAARN Cc1ccccc1Cn1c(=O)c(C(=O)NC[C@H]2CCCO2)nn(-c2ccccc2F)c1=O ZINC000036085317 568947978 /nfs/dbraw/zinc/94/79/78/568947978.db2.gz PPVDSHFNEHYRHH-QGZVFWFLSA-N 0 0 438.459 1.799 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036086045 568948393 /nfs/dbraw/zinc/94/83/93/568948393.db2.gz SIGZBEJASHGDIB-UHFFFAOYSA-N 0 0 428.876 1.862 50 0 IDAARN COc1ccc(-n2nc(C(=O)N3CCCC3)c(=O)n(Cc3cccc(OC)c3)c2=O)cc1 ZINC000036087323 568948796 /nfs/dbraw/zinc/94/87/96/568948796.db2.gz QVQYQYJBUCMZLY-UHFFFAOYSA-N 0 0 436.468 1.696 50 0 IDAARN COCCNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036087382 568948808 /nfs/dbraw/zinc/94/88/08/568948808.db2.gz CCXVYRSZCIBTDY-UHFFFAOYSA-N 0 0 428.876 1.781 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCC3CC3)c(=O)n(Cc3cccc(OC)c3)c2=O)cc1 ZINC000036087321 568948867 /nfs/dbraw/zinc/94/88/67/568948867.db2.gz YLDDSRMUFYNWBN-UHFFFAOYSA-N 0 0 436.468 1.600 50 0 IDAARN COCCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087083 568949360 /nfs/dbraw/zinc/94/93/60/568949360.db2.gz XLAXBSNNKGZSSU-UHFFFAOYSA-N 0 0 428.876 1.781 50 0 IDAARN Cc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087015 568949421 /nfs/dbraw/zinc/94/94/21/568949421.db2.gz PKVHPTYJMXDDRS-HXUWFJFHSA-N 0 0 434.496 1.968 50 0 IDAARN COc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036087675 568949709 /nfs/dbraw/zinc/94/97/09/568949709.db2.gz HSANQPAHZWJRMU-LJQANCHMSA-N 0 0 436.468 1.360 50 0 IDAARN CC[C@H](C)NC(=O)c1nn(-c2cccc(OC)c2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036087714 568949811 /nfs/dbraw/zinc/94/98/11/568949811.db2.gz QBMKRIKLCYDKEX-HNNXBMFYSA-N 0 0 438.484 1.988 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3cccc(F)c3)c2=O)cc1 ZINC000036088434 568950423 /nfs/dbraw/zinc/95/04/23/568950423.db2.gz XYIMUTDGLZYOIK-LJQANCHMSA-N 0 0 438.459 1.799 50 0 IDAARN O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000036108732 568953674 /nfs/dbraw/zinc/95/36/74/568953674.db2.gz JZKNWZHEKGCZRR-IBGZPJMESA-N 0 0 439.493 1.054 50 0 IDAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2ccco2)c1=O)NCCc1ccccc1 ZINC000064775195 568954543 /nfs/dbraw/zinc/95/45/43/568954543.db2.gz IEBBNRPYNJHVIN-UHFFFAOYSA-N 0 0 449.492 1.873 50 0 IDAARN COCCn1c(SCC(=O)N2CCOCC2)nnc1-c1sc2ncccc2c1N ZINC000064794287 568959958 /nfs/dbraw/zinc/95/99/58/568959958.db2.gz IJLKAODQDOUIDV-UHFFFAOYSA-N 0 0 434.547 1.734 50 0 IDAARN COc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCCCN2CCOCC2)cc1 ZINC000064817804 568964892 /nfs/dbraw/zinc/96/48/92/568964892.db2.gz AESTVVJOGIVNQL-UHFFFAOYSA-N 0 0 427.505 1.134 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)C(C)C)CC1 ZINC000036158598 568966792 /nfs/dbraw/zinc/96/67/92/568966792.db2.gz HWPZCUYHPNYTQN-GOSISDBHSA-N 0 0 443.541 1.137 50 0 IDAARN CC[C@H](C)NC(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000036187313 568970240 /nfs/dbraw/zinc/97/02/40/568970240.db2.gz KEYARWKTIRYGHH-HNNXBMFYSA-N 0 0 442.534 1.754 50 0 IDAARN COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3cccc(F)c3)c2=O)c1 ZINC000064887654 568978965 /nfs/dbraw/zinc/97/89/65/568978965.db2.gz HATJNKJGSPWKFO-UHFFFAOYSA-N 0 0 435.415 1.788 50 0 IDAARN Cc1ccc(-n2nc(-c3noc(CCC(=O)Nc4cccnc4)n3)c(=O)n(C)c2=O)cc1 ZINC000064888346 568979485 /nfs/dbraw/zinc/97/94/85/568979485.db2.gz TZKJSZXNWYPQHB-UHFFFAOYSA-N 0 0 433.428 1.256 50 0 IDAARN CCCN(CCC)C(=O)CCc1nc(-c2nn(-c3ccc(F)cc3)c(=O)n(C)c2=O)no1 ZINC000064888279 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OPWGCDWAYBUWHM-UHFFFAOYSA-N 0 0 440.547 1.910 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1nc2c(N3C[C@@H](C)C[C@H](C)C3)nccn2c1=O ZINC000065151878 569111473 /nfs/dbraw/zinc/11/14/73/569111473.db2.gz PMDRARSOPHVAIS-GJZGRUSLSA-N 0 0 438.488 1.799 50 0 IDAARN CC(C)Cn1c(=O)c2nscc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000065184970 569114196 /nfs/dbraw/zinc/11/41/96/569114196.db2.gz MHFXUWGYRNRGOU-UHFFFAOYSA-N 0 0 445.520 1.764 50 0 IDAARN COc1ccc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)cc1OC ZINC000065200691 569115210 /nfs/dbraw/zinc/11/52/10/569115210.db2.gz TZUMFHVNJGWZAY-UHFFFAOYSA-N 0 0 432.546 1.955 50 0 IDAARN COc1ccc(-n2c3ncc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197113 569115913 /nfs/dbraw/zinc/11/59/13/569115913.db2.gz DCFBVZNQABMKEF-UHFFFAOYSA-N 0 0 445.435 1.444 50 0 IDAARN O=C(CSc1ccncc1)N1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H](C1)O2 ZINC000065225141 569117730 /nfs/dbraw/zinc/11/77/30/569117730.db2.gz WRYOIKMVQHQXMH-IYBDPMFKSA-N 0 0 437.518 1.613 50 0 IDAARN COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccncc3)C(=O)[C@H]1C2 ZINC000036575758 569118498 /nfs/dbraw/zinc/11/84/98/569118498.db2.gz BJCDIAXAVLFRJS-GOSISDBHSA-N 0 0 438.484 1.884 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1F)C(=O)OC ZINC000036569470 569118628 /nfs/dbraw/zinc/11/86/28/569118628.db2.gz DSYUJWZJRZLQML-CRAIPNDOSA-N 0 0 436.415 1.840 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000036569399 569118641 /nfs/dbraw/zinc/11/86/41/569118641.db2.gz FTOXAXKTNVVVJE-APWZRJJASA-N 0 0 448.451 1.709 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O ZINC000065237537 569119773 /nfs/dbraw/zinc/11/97/73/569119773.db2.gz PELTVOAVHRXPMP-UHFFFAOYSA-N 0 0 441.893 1.170 50 0 IDAARN COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccccn3)C(=O)[C@H]1C2 ZINC000036585241 569119929 /nfs/dbraw/zinc/11/99/29/569119929.db2.gz FYNRDLLNRASIOY-GOSISDBHSA-N 0 0 438.484 1.884 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccc2c(c1)OCO2 ZINC000036593903 569121210 /nfs/dbraw/zinc/12/12/10/569121210.db2.gz UJLZQNPGAMBWIV-OAHLLOKOSA-N 0 0 439.424 1.865 50 0 IDAARN COc1ccc(OCCN2CC(=O)N(c3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000036592921 569121259 /nfs/dbraw/zinc/12/12/59/569121259.db2.gz MSRXSRSKVDILFW-SFTDATJTSA-N 0 0 446.525 1.597 50 0 IDAARN COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3cn(C(F)F)nc3C)CC2)cc1 ZINC000036615181 569122414 /nfs/dbraw/zinc/12/24/14/569122414.db2.gz VFAKFEGPRDYLAB-UHFFFAOYSA-N 0 0 428.461 1.880 50 0 IDAARN CCN1CCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)CC1 ZINC000065254363 569122592 /nfs/dbraw/zinc/12/25/92/569122592.db2.gz ZFXADOMMMUBJRO-KRWDZBQOSA-N 0 0 446.577 1.466 50 0 IDAARN COc1ccc(CCNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013117185 569125111 /nfs/dbraw/zinc/12/51/11/569125111.db2.gz RIMNITIPUZKFJF-UHFFFAOYSA-N 0 0 448.541 1.626 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000013129770 569125343 /nfs/dbraw/zinc/12/53/43/569125343.db2.gz YBTFCAJQQNPTEC-HNNXBMFYSA-N 0 0 447.513 1.757 50 0 IDAARN Cc1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1 ZINC000013133857 569125552 /nfs/dbraw/zinc/12/55/52/569125552.db2.gz DYPKFHSAAXJIDU-UHFFFAOYSA-N 0 0 445.570 1.733 50 0 IDAARN COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524731317 569126510 /nfs/dbraw/zinc/12/65/10/569126510.db2.gz SGSJMSGRGVYFNL-MRXNPFEDSA-N 0 0 444.440 1.043 50 0 biogenic IDAARN COc1cc2ncn(CC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)c(=O)c2cc1OC ZINC000524731712 569126585 /nfs/dbraw/zinc/12/65/85/569126585.db2.gz IGKOOIADSZKOFQ-VKJFTORMSA-N 0 0 440.500 1.273 50 0 biogenic IDAARN COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524731487 569126596 /nfs/dbraw/zinc/12/65/96/569126596.db2.gz ZPTTXZGJLXZIBW-MRXNPFEDSA-N 0 0 446.456 1.029 50 0 biogenic IDAARN COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524734184 569127429 /nfs/dbraw/zinc/12/74/29/569127429.db2.gz GOQOEBSYDWOFIJ-HNNXBMFYSA-N 0 0 436.411 1.593 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@H](CCSC)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000524732586 569127480 /nfs/dbraw/zinc/12/74/80/569127480.db2.gz QJYOBNHLNFZODD-INIZCTEOSA-N 0 0 434.518 1.697 50 0 IDAARN COc1cc([C@@H](c2n(C)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc(OC)c1O ZINC000524733831 569128018 /nfs/dbraw/zinc/12/80/18/569128018.db2.gz SVNOSLVVVVKVNP-OAHLLOKOSA-N 0 0 434.445 1.582 50 0 IDAARN CCN1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)CC1 ZINC000065273819 569128269 /nfs/dbraw/zinc/12/82/69/569128269.db2.gz XTBFSARIMNMRCC-SFHVURJKSA-N 0 0 445.633 1.861 50 0 IDAARN C=C1C(N2CCC(NC(=O)N[C@@H](C)C(=O)OCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271794 569128631 /nfs/dbraw/zinc/12/86/31/569128631.db2.gz KNHVSILJEBATQA-HNNXBMFYSA-N 0 0 448.545 1.875 50 0 IDAARN C=C1C(N2CCCN(C(=O)N[C@@H](C)C(=O)OCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271899 569128708 /nfs/dbraw/zinc/12/87/08/569128708.db2.gz PWKMVKAAWCMHNT-INIZCTEOSA-N 0 0 448.545 1.828 50 0 IDAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCc2c(C)nn(C)c2C)CC3)CC1 ZINC000065273578 569129714 /nfs/dbraw/zinc/12/97/14/569129714.db2.gz RRQLHIUHOSUPCV-MRXNPFEDSA-N 0 0 444.605 1.973 50 0 IDAARN CS(=O)(=O)Nc1cccc(NC(=O)Cc2csc(NC(=O)c3cnccn3)n2)c1 ZINC000036657950 569130217 /nfs/dbraw/zinc/13/02/17/569130217.db2.gz SNWQQMXSEQFGPH-UHFFFAOYSA-N 0 0 432.487 1.738 50 0 IDAARN CC[C@@]1(N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292226 569130762 /nfs/dbraw/zinc/13/07/62/569130762.db2.gz SPQWXQZZEFCODG-GOSISDBHSA-N 0 0 433.571 1.087 50 0 IDAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1)NCc1cccnc1 ZINC000065295639 569131500 /nfs/dbraw/zinc/13/15/00/569131500.db2.gz QTAIAVRSYKWHCP-UHFFFAOYSA-N 0 0 429.488 1.259 50 0 IDAARN COc1cc(NC(=O)Cn2nc3nc(N4CCC[C@@H](C)C4)ccn3c2=O)cc(OC)c1 ZINC000065307977 569132638 /nfs/dbraw/zinc/13/26/38/569132638.db2.gz IXNIBWQCNMPCJM-CQSZACIVSA-N 0 0 426.477 1.783 50 0 IDAARN C[C@@]1(C(=O)NC2CCCC2)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 ZINC000065302051 569132843 /nfs/dbraw/zinc/13/28/43/569132843.db2.gz WDMZXLNBLPQNGQ-QHCPKHFHSA-N 0 0 436.516 1.644 50 0 IDAARN O=C(C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1)N1CCC2(CC1)OCCO2 ZINC000065311440 569133714 /nfs/dbraw/zinc/13/37/14/569133714.db2.gz VFECPLUWUFDICV-UHFFFAOYSA-N 0 0 438.528 1.874 50 0 biogenic IDAARN O=C(NCc1cccs1)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 ZINC000065319221 569134816 /nfs/dbraw/zinc/13/48/16/569134816.db2.gz TZXMPBXDFHITQR-UHFFFAOYSA-N 0 0 434.499 1.749 50 0 IDAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000036708273 569134963 /nfs/dbraw/zinc/13/49/63/569134963.db2.gz KFHXZSDAMDMXAI-UHFFFAOYSA-N 0 0 441.916 1.617 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314208 569135509 /nfs/dbraw/zinc/13/55/09/569135509.db2.gz SGYBYSZTVQINOU-OAQYLSRUSA-N 0 0 439.560 1.347 50 0 IDAARN O=S(=O)(c1c[nH]cn1)N1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000238811714 569136458 /nfs/dbraw/zinc/13/64/58/569136458.db2.gz ALVKIWSGJJLDND-UHFFFAOYSA-N 0 0 449.352 1.258 50 0 IDAARN CNC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000036821939 569138266 /nfs/dbraw/zinc/13/82/66/569138266.db2.gz QTKGIZWQBLAKJQ-LJQANCHMSA-N 0 0 444.557 1.357 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)NCCN3c4ccccc4N(C)S3(=O)=O)CC2=O)cc1C ZINC000239611730 569139714 /nfs/dbraw/zinc/13/97/14/569139714.db2.gz FCLRXIMZYHUZMC-KRWDZBQOSA-N 0 0 442.541 1.974 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccnc1)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000065592285 569140071 /nfs/dbraw/zinc/14/00/71/569140071.db2.gz SBOSGBSVSXUJHI-UHFFFAOYSA-N 0 0 449.508 1.702 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000007425560 569140142 /nfs/dbraw/zinc/14/01/42/569140142.db2.gz PDQNXQOLCGIKEW-MRXNPFEDSA-N 0 0 427.505 1.408 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000007425563 569140197 /nfs/dbraw/zinc/14/01/97/569140197.db2.gz PDQNXQOLCGIKEW-INIZCTEOSA-N 0 0 427.505 1.408 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000007425899 569140251 /nfs/dbraw/zinc/14/02/51/569140251.db2.gz IWNXKUMTHIOTMJ-HOTGVXAUSA-N 0 0 427.505 1.408 50 0 IDAARN CC[C@]1(C)NC(=O)N(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O ZINC000037210484 569140885 /nfs/dbraw/zinc/14/08/85/569140885.db2.gz FEYOJZLQSVQKAN-VGSWGCGISA-N 0 0 443.504 1.018 50 0 IDAARN COC(=O)C[C@@]1(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CCOC1 ZINC000170596760 569141751 /nfs/dbraw/zinc/14/17/51/569141751.db2.gz KVSJUDUXXFDPIX-JTSKRJEESA-N 0 0 431.489 1.801 50 0 IDAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000170596389 569141930 /nfs/dbraw/zinc/14/19/30/569141930.db2.gz AUUXOZJFNJBRNP-VXGBXAGGSA-N 0 0 441.369 1.596 50 0 IDAARN COC(=O)c1cn(CCSc2nnc(N3CCOCC3)n2-c2ccc(C)cc2)nn1 ZINC000170601458 569142988 /nfs/dbraw/zinc/14/29/88/569142988.db2.gz AGKGVGVOVCDGFN-UHFFFAOYSA-N 0 0 429.506 1.583 50 0 IDAARN COc1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)n2)cc1OC ZINC000170606722 569144374 /nfs/dbraw/zinc/14/43/74/569144374.db2.gz IBIGYBBFMJHLMP-ZDUSSCGKSA-N 0 0 444.469 1.922 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N(C)c2cccnn2)ccc1I ZINC000170609214 569144641 /nfs/dbraw/zinc/14/46/41/569144641.db2.gz NBKFGPBRFITZEO-UHFFFAOYSA-N 0 0 433.227 1.693 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CCCCN2Cc2ccccn2)c1 ZINC000170610719 569145023 /nfs/dbraw/zinc/14/50/23/569145023.db2.gz GCNAZPFHSMZKOS-SFHVURJKSA-N 0 0 432.502 1.265 50 0 IDAARN CCS(=O)(=O)C1CCN(C(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)CC1 ZINC000170614951 569146516 /nfs/dbraw/zinc/14/65/16/569146516.db2.gz PZSPTNBWOFLMJV-IBGZPJMESA-N 0 0 440.562 1.884 50 0 IDAARN CC[C@H](C)n1nc(NC(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)cc1C ZINC000170618507 569147016 /nfs/dbraw/zinc/14/70/16/569147016.db2.gz ZKDSULMAACKIHW-ZDUSSCGKSA-N 0 0 429.477 1.571 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)nc1 ZINC000170619868 569147489 /nfs/dbraw/zinc/14/74/89/569147489.db2.gz YGSZUKFWVIBHRE-HNNXBMFYSA-N 0 0 434.493 1.962 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2noc(-c3cccc(F)c3)n2)cc1 ZINC000170619797 569147511 /nfs/dbraw/zinc/14/75/11/569147511.db2.gz UCMDUIMKWBAKLG-UHFFFAOYSA-N 0 0 440.478 1.605 50 0 IDAARN CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000170624422 569148166 /nfs/dbraw/zinc/14/81/66/569148166.db2.gz WWZVFGQEVBGIJA-CQSZACIVSA-N 0 0 447.923 1.753 50 0 IDAARN Cc1nccn1-c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)nn1 ZINC000070998749 569149211 /nfs/dbraw/zinc/14/92/11/569149211.db2.gz JEYQZVNTWHZMEO-UHFFFAOYSA-N 0 0 440.529 1.483 50 0 IDAARN COc1cccc2cc(C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)c(=O)oc21 ZINC000071001152 569149239 /nfs/dbraw/zinc/14/92/39/569149239.db2.gz PLKSDDIDUUVWCR-UHFFFAOYSA-N 0 0 446.423 1.922 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 ZINC000010027540 569151791 /nfs/dbraw/zinc/15/17/91/569151791.db2.gz IECXLWCXILYQGD-UHFFFAOYSA-N 0 0 425.513 1.908 50 0 IDAARN O=C(NCCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000010219825 569152742 /nfs/dbraw/zinc/15/27/42/569152742.db2.gz DJNLJTRVDGYMTN-UHFFFAOYSA-N 0 0 442.472 1.737 50 0 IDAARN CCSc1nnc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000010216387 569153131 /nfs/dbraw/zinc/15/31/31/569153131.db2.gz VILYJFVNGAEEFN-UHFFFAOYSA-N 0 0 438.560 1.635 50 0 IDAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000010216313 569153165 /nfs/dbraw/zinc/15/31/65/569153165.db2.gz YMTLLRQZKHHVPR-UHFFFAOYSA-N 0 0 428.470 1.443 50 0 IDAARN CC(C)OCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000010385608 569154410 /nfs/dbraw/zinc/15/44/10/569154410.db2.gz MDILDVMGDSBTSI-INIZCTEOSA-N 0 0 445.520 1.101 50 0 IDAARN CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000010385977 569154425 /nfs/dbraw/zinc/15/44/25/569154425.db2.gz ZLXDDYLSRFNSDG-CQSZACIVSA-N 0 0 435.912 1.739 50 0 IDAARN Cc1ccc(C(C)C)c(OC[C@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385506 569154462 /nfs/dbraw/zinc/15/44/62/569154462.db2.gz RLIWZHCDDIYGHH-MRXNPFEDSA-N 0 0 441.532 1.895 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3cc(C)nn3C)o2)cc1 ZINC000013615045 569156384 /nfs/dbraw/zinc/15/63/84/569156384.db2.gz VERAVHQIBURHOW-HNNXBMFYSA-N 0 0 446.489 1.579 50 0 IDAARN COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1F ZINC000013729812 569156930 /nfs/dbraw/zinc/15/69/30/569156930.db2.gz FYHRDLUGIQXMQZ-NSHDSACASA-N 0 0 428.463 1.948 50 0 IDAARN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccncc1 ZINC000013723313 569156932 /nfs/dbraw/zinc/15/69/32/569156932.db2.gz ZYQNYVLOFGCTSF-UHFFFAOYSA-N 0 0 425.488 1.025 50 0 IDAARN NS(=O)(=O)c1ccc(C(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 ZINC000013797326 569157040 /nfs/dbraw/zinc/15/70/40/569157040.db2.gz SJWZBNLRKUQUNQ-UHFFFAOYSA-N 0 0 430.461 1.517 50 0 IDAARN COc1ccc2nc(N3CCN(C(=O)[C@@H]4CCCN(S(C)(=O)=O)C4)CC3)sc2c1 ZINC000013790538 569157064 /nfs/dbraw/zinc/15/70/64/569157064.db2.gz XLRTXVQTSVWEIG-CQSZACIVSA-N 0 0 438.575 1.625 50 0 IDAARN COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2c1CCN(C(C)=O)C2 ZINC000013790348 569157066 /nfs/dbraw/zinc/15/70/66/569157066.db2.gz LNUVFMPXKBTELQ-GFCCVEGCSA-N 0 0 443.547 1.049 50 0 IDAARN CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cn2)cc1 ZINC000013809111 569157165 /nfs/dbraw/zinc/15/71/65/569157165.db2.gz FCYFAMBQMOGXQE-UHFFFAOYSA-N 0 0 436.468 1.887 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 ZINC000014180456 569158047 /nfs/dbraw/zinc/15/80/47/569158047.db2.gz BKBURUOVRKQMRW-UHFFFAOYSA-N 0 0 445.954 1.767 50 0 IDAARN C[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)c(F)c1F ZINC000014352069 569158689 /nfs/dbraw/zinc/15/86/89/569158689.db2.gz KJTVLFXGPZXBFS-SECBINFHSA-N 0 0 443.407 1.555 50 0 IDAARN COc1cc(OC)c(C2=CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c(OC)c1 ZINC000014349994 569158703 /nfs/dbraw/zinc/15/87/03/569158703.db2.gz XILMOKVNMMVVJQ-UHFFFAOYSA-N 0 0 438.546 2.000 50 0 IDAARN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(CC(N)=O)cs1 ZINC000014331303 569158727 /nfs/dbraw/zinc/15/87/27/569158727.db2.gz ZCPKZZVTFNIXCG-AWEZNQCLSA-N 0 0 430.939 1.766 50 0 IDAARN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N2CCN(Cc3ccccc3)CC2)CC1 ZINC000006739418 569159182 /nfs/dbraw/zinc/15/91/82/569159182.db2.gz UUUAQDFXUOMBNU-UHFFFAOYSA-N 0 0 426.517 1.638 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)c2nn(CCC)c(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000014656191 569160618 /nfs/dbraw/zinc/16/06/18/569160618.db2.gz NMKANAIJVQSGTI-UHFFFAOYSA-N 0 0 426.477 1.315 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(=O)[nH]c1=O ZINC000014655314 569160651 /nfs/dbraw/zinc/16/06/51/569160651.db2.gz DOYKJYQWMIFIRL-OAHLLOKOSA-N 0 0 427.505 1.552 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(=O)[nH]c1=O ZINC000014655310 569160688 /nfs/dbraw/zinc/16/06/88/569160688.db2.gz DOYKJYQWMIFIRL-HNNXBMFYSA-N 0 0 427.505 1.552 50 0 IDAARN COc1ccc(C)c2sc(N3CCN(C(=O)[C@H]4CCCN4S(C)(=O)=O)CC3)nc21 ZINC000016847907 569164221 /nfs/dbraw/zinc/16/42/21/569164221.db2.gz NVWKVBVOGMBZMM-CQSZACIVSA-N 0 0 438.575 1.686 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)cc1 ZINC000016890480 569165463 /nfs/dbraw/zinc/16/54/63/569165463.db2.gz ARHMALYEGUGQBK-UHFFFAOYSA-N 0 0 435.419 1.773 50 0 IDAARN Cc1cccn2c(=O)c(C=NNc3ncnc([N+](=O)[O-])c3N)c(NCc3ccco3)nc12 ZINC000254297288 569165904 /nfs/dbraw/zinc/16/59/04/569165904.db2.gz PBZJFRYJVAEZPK-UHFFFAOYSA-N 0 0 435.404 1.934 50 0 IDAARN C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)c1nnc2n1CCCC2 ZINC000089913823 569167296 /nfs/dbraw/zinc/16/72/96/569167296.db2.gz GGDKBHMXBBHLJX-NSHDSACASA-N 0 0 434.294 1.980 50 0 IDAARN COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000016954157 569167324 /nfs/dbraw/zinc/16/73/24/569167324.db2.gz MCTUMHISWQFGTC-UHFFFAOYSA-N 0 0 447.495 1.853 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)C1 ZINC000016980692 569169263 /nfs/dbraw/zinc/16/92/63/569169263.db2.gz SDCINUBWVNUPEX-QGZVFWFLSA-N 0 0 429.521 1.924 50 0 IDAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(-c2cccc(OC)c2)c1=O ZINC000016996545 569169968 /nfs/dbraw/zinc/16/99/68/569169968.db2.gz CMISKXBIKZBGPM-HXUWFJFHSA-N 0 0 434.452 1.965 50 0 biogenic IDAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2cccc(OC)c2)c1=O ZINC000016996542 569169995 /nfs/dbraw/zinc/16/99/95/569169995.db2.gz CMISKXBIKZBGPM-FQEVSTJZSA-N 0 0 434.452 1.965 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2cccnc2)c2ccco2)cc1 ZINC000017043324 569171401 /nfs/dbraw/zinc/17/14/01/569171401.db2.gz BTLNZJUKBPJHMY-IBGZPJMESA-N 0 0 427.482 1.931 50 0 IDAARN Cc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000017042022 569171607 /nfs/dbraw/zinc/17/16/07/569171607.db2.gz BLVCDYYDHMQQIN-UHFFFAOYSA-N 0 0 443.525 1.973 50 0 IDAARN COc1ccccc1N1CCN([C@H](CNC(=O)C(=O)NCC(C)C)c2cccnc2)CC1 ZINC000017113218 569174124 /nfs/dbraw/zinc/17/41/24/569174124.db2.gz WPZIRPCOXPSIMH-OAQYLSRUSA-N 0 0 439.560 1.842 50 0 IDAARN NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 ZINC000017155621 569175027 /nfs/dbraw/zinc/17/50/27/569175027.db2.gz PVESKXZXJHZSIA-UHFFFAOYSA-N 0 0 430.467 1.849 50 0 IDAARN CCN(C(=O)COC(=O)/C=C/c1cc(F)cc2c1OCOC2)[C@@H]1CCS(=O)(=O)C1 ZINC000017255128 569176470 /nfs/dbraw/zinc/17/64/70/569176470.db2.gz OVOKTVWFHCFOHM-QDLOVBKTSA-N 0 0 427.450 1.284 50 0 IDAARN COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C[C@H]5CCCO5)C(=O)[C@@H]24)O3)cc(OC)c1OC ZINC000252383351 569183164 /nfs/dbraw/zinc/18/31/64/569183164.db2.gz LQAIALVFPHCXFW-YIDABGLFSA-N 0 0 444.484 1.612 50 0 IDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000002129178 569184308 /nfs/dbraw/zinc/18/43/08/569184308.db2.gz YJTFAPLZYSXKBF-QLBZUPSYSA-N 0 0 433.464 1.780 50 0 biogenic IDAARN O=C([O-])CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000002130456 569184927 /nfs/dbraw/zinc/18/49/27/569184927.db2.gz OECOESKZBWEZIY-QYUDBREXSA-N 0 0 425.485 1.995 50 0 biogenic IDAARN C[C@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccccc1O ZINC000002133895 569185059 /nfs/dbraw/zinc/18/50/59/569185059.db2.gz LPLHLJDAFSPKOR-MXTDPGEGSA-N 0 0 436.461 1.232 50 0 biogenic IDAARN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000252501336 569188232 /nfs/dbraw/zinc/18/82/32/569188232.db2.gz UEGUDOLBBKVSAQ-GOSISDBHSA-N 0 0 442.497 1.880 50 0 IDAARN CSCC[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252518197 569189322 /nfs/dbraw/zinc/18/93/22/569189322.db2.gz AHKPTSWMZYYESS-CRAIPNDOSA-N 0 0 432.546 1.846 50 0 IDAARN O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000252527771 569189799 /nfs/dbraw/zinc/18/97/99/569189799.db2.gz DIGJCLQWPVZGLW-KURKYZTESA-N 0 0 447.561 1.129 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1OC ZINC000252539853 569190108 /nfs/dbraw/zinc/19/01/08/569190108.db2.gz ONNSVJFGHIGOAP-MSOLQXFVSA-N 0 0 441.484 1.611 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCCCO[C@H]2CCCCO2)cc1C ZINC000252540387 569190291 /nfs/dbraw/zinc/19/02/91/569190291.db2.gz PIBUITDDZROIMQ-IHPCNDPISA-N 0 0 441.546 1.904 50 0 IDAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000027344536 569190717 /nfs/dbraw/zinc/19/07/17/569190717.db2.gz HIUSKRJTCPJHNX-HNNXBMFYSA-N 0 0 441.561 1.741 50 0 IDAARN COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N(C)CCO ZINC000002195795 569191362 /nfs/dbraw/zinc/19/13/62/569191362.db2.gz AMUPYZPEPFFZIN-UHFFFAOYSA-N 0 0 427.486 1.874 50 0 IDAARN COCCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(OC)cc3)cc21 ZINC000037519833 569198289 /nfs/dbraw/zinc/19/82/89/569198289.db2.gz MLKJMWPBZQVKLL-UHFFFAOYSA-N 0 0 442.468 1.835 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccco1 ZINC000002237522 569212467 /nfs/dbraw/zinc/21/24/67/569212467.db2.gz DKBOEFCISTZZHZ-QGZVFWFLSA-N 0 0 438.293 1.398 50 0 IDAARN CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000044168871 569257891 /nfs/dbraw/zinc/25/78/91/569257891.db2.gz RZSSLCQNNAGTQY-OUUBHVDSSA-N 0 0 431.482 1.239 50 0 IDAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)CCO)ccc21)Nc1cccc2c1N=S=N2 ZINC000253432799 569269348 /nfs/dbraw/zinc/26/93/48/569269348.db2.gz OJJGJLPHCUWXLZ-UHFFFAOYSA-N 0 0 434.455 1.726 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cc4ccccc4oc3=O)CC2)cn1C ZINC000253472181 569282689 /nfs/dbraw/zinc/28/26/89/569282689.db2.gz JYSAKUMYLXBEJC-UHFFFAOYSA-N 0 0 430.486 1.372 50 0 IDAARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(Cc4cccnc4)CC3)C2=O)cc1 ZINC000252482562 569287893 /nfs/dbraw/zinc/28/78/93/569287893.db2.gz DJCNZATVGMFWKS-FQEVSTJZSA-N 0 0 437.500 1.844 50 0 IDAARN CSCC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000253413963 569289096 /nfs/dbraw/zinc/28/90/96/569289096.db2.gz WCNUTESGURWCEK-JQWIXIFHSA-N 0 0 441.351 1.909 50 0 IDAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)cc1 ZINC000002387064 569295067 /nfs/dbraw/zinc/29/50/67/569295067.db2.gz ANGLPBCGOYVHNC-UHFFFAOYSA-N 0 0 434.503 1.046 50 0 IDAARN COCCN(C(=O)c1cc2cc(Br)ccc2oc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000011990892 569303386 /nfs/dbraw/zinc/30/33/86/569303386.db2.gz IFDCTSURHZEBHZ-ZDUSSCGKSA-N 0 0 444.303 1.831 50 0 IDAARN COCCN(C(=O)COc1ccc(Cl)cc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013042072 569308303 /nfs/dbraw/zinc/30/83/03/569308303.db2.gz VRRIVXOHCFGECK-UHFFFAOYSA-N 0 0 438.912 1.795 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 ZINC000013060504 569308518 /nfs/dbraw/zinc/30/85/18/569308518.db2.gz IFKLARASNBRMTR-SFHVURJKSA-N 0 0 427.482 1.585 50 0 IDAARN CCCCn1c(N)c(N(CCC)C(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O ZINC000013063518 569308747 /nfs/dbraw/zinc/30/87/47/569308747.db2.gz BUYARDXVYWZPET-UHFFFAOYSA-N 0 0 441.488 1.348 50 0 IDAARN CCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1N)[C@H]1CCS(=O)(=O)C1 ZINC000013069412 569308890 /nfs/dbraw/zinc/30/88/90/569308890.db2.gz HPXSDBNFXPMHLY-ZDUSSCGKSA-N 0 0 439.563 1.185 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)CSc2nc3ccccc3o2)c(=O)n(C)c1=O ZINC000013114270 569310643 /nfs/dbraw/zinc/31/06/43/569310643.db2.gz CJMOUYSYMZCESA-UHFFFAOYSA-N 0 0 446.485 1.445 50 0 IDAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000013164512 569312337 /nfs/dbraw/zinc/31/23/37/569312337.db2.gz DRWBCGBJJDBRIW-UHFFFAOYSA-N 0 0 441.532 1.251 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N[C@@H]1C ZINC000013165091 569312524 /nfs/dbraw/zinc/31/25/24/569312524.db2.gz OZLMLFXUOHZEDE-OAHLLOKOSA-N 0 0 443.500 1.909 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 ZINC000013302785 569312849 /nfs/dbraw/zinc/31/28/49/569312849.db2.gz VKQHZFOQEFQMFV-UHFFFAOYSA-N 0 0 442.474 1.964 50 0 IDAARN CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)o1 ZINC000002457016 569314483 /nfs/dbraw/zinc/31/44/83/569314483.db2.gz ZSFDUIBEVPCLQN-RYUDHWBXSA-N 0 0 426.520 1.983 50 0 IDAARN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)CCc2ccncc2)ccc1F ZINC000013371871 569315020 /nfs/dbraw/zinc/31/50/20/569315020.db2.gz LDNVVINTBMBDTE-OALUTQOASA-N 0 0 426.535 1.643 50 0 IDAARN CN(CCc1ccncc1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000013371959 569315075 /nfs/dbraw/zinc/31/50/75/569315075.db2.gz NWQYZCBBGVBXEG-ROUUACIJSA-N 0 0 428.963 1.849 50 0 IDAARN CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2F)cc1 ZINC000013372061 569315221 /nfs/dbraw/zinc/31/52/21/569315221.db2.gz JVYDCQIYCJZINB-PMACEKPBSA-N 0 0 441.546 1.996 50 0 IDAARN O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000328595735 569317744 /nfs/dbraw/zinc/31/77/44/569317744.db2.gz CVROEDKPNKFNQX-UHFFFAOYSA-N 0 0 444.492 1.370 50 0 IDAARN COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000019361345 569318987 /nfs/dbraw/zinc/31/89/87/569318987.db2.gz AGSLPPZMIFCXBX-UHFFFAOYSA-N 0 0 425.533 1.956 50 0 IDAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)NC(=O)NCCc3cccs3)c(=O)c21 ZINC000019432379 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Cc1cc(=O)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1C ZINC000095477623 569373338 /nfs/dbraw/zinc/37/33/38/569373338.db2.gz TWEYWFOZMKEAAJ-UHFFFAOYSA-N 0 0 439.921 1.259 50 0 IDAARN COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(CN3CCOCC3)n2C)CC1 ZINC000095479397 569373654 /nfs/dbraw/zinc/37/36/54/569373654.db2.gz LJRMTHZZSBOIRN-UHFFFAOYSA-N 0 0 428.533 1.254 50 0 IDAARN COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000095482173 569374341 /nfs/dbraw/zinc/37/43/41/569374341.db2.gz XMNDQFQFBWXDSY-UHFFFAOYSA-N 0 0 431.558 1.745 50 0 IDAARN O=C(CCn1cnc2sccc2c1=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005232 569379340 /nfs/dbraw/zinc/37/93/40/569379340.db2.gz UFQRZIXEOOIDQS-HNNXBMFYSA-N 0 0 438.575 1.701 50 0 IDAARN COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4oc(=O)n(C)c4c3)cc21 ZINC000096025625 569380743 /nfs/dbraw/zinc/38/07/43/569380743.db2.gz XTJQNJWEONTVOR-UHFFFAOYSA-N 0 0 431.470 1.858 50 0 IDAARN Cc1c(C(=O)NCCn2nc(-n3cncn3)ccc2=O)sc2nc(-c3ccccc3)cn12 ZINC000096097966 569381451 /nfs/dbraw/zinc/38/14/51/569381451.db2.gz MMSILOLEDDFUFV-UHFFFAOYSA-N 0 0 446.496 1.939 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000096104422 569382266 /nfs/dbraw/zinc/38/22/66/569382266.db2.gz TZTNHTFJSWXDRG-UHFFFAOYSA-N 0 0 442.946 1.889 50 0 IDAARN COc1ccc(OC)c(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c1 ZINC000096114093 569382654 /nfs/dbraw/zinc/38/26/54/569382654.db2.gz WEXCGFSYEPEIOJ-UHFFFAOYSA-N 0 0 432.381 1.186 50 0 biogenic IDAARN Cn1c2ccccc2nc1N1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC000096115363 569383287 /nfs/dbraw/zinc/38/32/87/569383287.db2.gz DHGZXCFVJMQJGL-IBGZPJMESA-N 0 0 446.511 1.753 50 0 biogenic IDAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)CC(C)C)CC2)N1C(=O)c1cccc(C)c1 ZINC000096274589 569388202 /nfs/dbraw/zinc/38/82/02/569388202.db2.gz XDJZWKBEHGJVJM-HXUWFJFHSA-N 0 0 445.560 1.963 50 0 IDAARN O=C(c1c(F)cccc1F)N1CCc2nc(N3CCOCC3)nc(N3CCOCC3)c2C1 ZINC000096281867 569390200 /nfs/dbraw/zinc/39/02/00/569390200.db2.gz HYUHMEQVZWRZKT-UHFFFAOYSA-N 0 0 445.470 1.627 50 0 IDAARN COc1cc(C=CC(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1 ZINC000096298705 569392064 /nfs/dbraw/zinc/39/20/64/569392064.db2.gz ZRFJPGUEBBUOJB-SREVYHEPSA-N 0 0 431.445 1.546 50 0 IDAARN COCCN1CC[C@@H](N2CCCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)C1=O ZINC000096310671 569392678 /nfs/dbraw/zinc/39/26/78/569392678.db2.gz ISXHQEKIASMXQT-QGZVFWFLSA-N 0 0 429.439 1.980 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)c1C ZINC000096323343 569395215 /nfs/dbraw/zinc/39/52/15/569395215.db2.gz SCAMZNPPQFVVBU-INIZCTEOSA-N 0 0 447.561 1.171 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1C ZINC000096323308 569395260 /nfs/dbraw/zinc/39/52/60/569395260.db2.gz BPJXIBPTELWSQZ-UHFFFAOYSA-N 0 0 436.534 1.684 50 0 IDAARN CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c1 ZINC000096395260 569399027 /nfs/dbraw/zinc/39/90/27/569399027.db2.gz MZYYKKZVNUIPRU-AWEZNQCLSA-N 0 0 442.505 1.284 50 0 IDAARN Cc1cc(C)c2c(n1)nc(C(=O)NCCCN1CCCC1=O)nc2N1CCSCC1 ZINC000096396808 569399227 /nfs/dbraw/zinc/39/92/27/569399227.db2.gz VPRYZCWMKKWEBB-UHFFFAOYSA-N 0 0 428.562 1.937 50 0 IDAARN Cc1nn(CC(=O)NCCCN2CCCC2=O)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400143 569400366 /nfs/dbraw/zinc/40/03/66/569400366.db2.gz UOSSAXMTVPVZQR-UHFFFAOYSA-N 0 0 425.514 1.957 50 0 IDAARN CC(=O)N/C(=C/c1ccccc1)C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000096401082 569400369 /nfs/dbraw/zinc/40/03/69/569400369.db2.gz NDLNMXONQXBWCG-RCCKNPSSSA-N 0 0 444.509 1.928 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)CC(=O)c2ccco2)cc1C ZINC000097165163 569403376 /nfs/dbraw/zinc/40/33/76/569403376.db2.gz UQTQLXYRUUOKNF-RDJZCZTQSA-N 0 0 449.529 1.587 50 0 IDAARN CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccc(-n4cnnn4)cc3)sc2c1 ZINC000027913055 569403581 /nfs/dbraw/zinc/40/35/81/569403581.db2.gz RDNOCLXSBNBNHJ-UHFFFAOYSA-N 0 0 430.471 1.693 50 0 IDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000225599771 569405301 /nfs/dbraw/zinc/40/53/01/569405301.db2.gz IGTXVWUZGJUOMH-UHFFFAOYSA-N 0 0 431.440 1.977 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 ZINC000225600073 569405471 /nfs/dbraw/zinc/40/54/71/569405471.db2.gz UXOXNMZFVJSGDP-UHFFFAOYSA-N 0 0 440.547 1.314 50 0 IDAARN O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000225607225 569405559 /nfs/dbraw/zinc/40/55/59/569405559.db2.gz CVPOAXWARZUISK-UHFFFAOYSA-N 0 0 432.531 1.371 50 0 IDAARN NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225737468 569407848 /nfs/dbraw/zinc/40/78/48/569407848.db2.gz SDZVVRJLBPOAEG-CQSZACIVSA-N 0 0 445.419 1.807 50 0 IDAARN CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)NC(N)=O)c(Cl)cc1Cl ZINC000002621865 569411156 /nfs/dbraw/zinc/41/11/56/569411156.db2.gz JUCIOKODRKTIKE-UHFFFAOYSA-N 0 0 426.278 1.279 50 0 IDAARN Cc1nn(C)c2c1nc(N1CCN(S(=O)(=O)Cc3ccccc3)CC1)n(C(C)C)c2=O ZINC000028556989 569412159 /nfs/dbraw/zinc/41/21/59/569412159.db2.gz NZAKPSAXYWBBIU-UHFFFAOYSA-N 0 0 444.561 1.671 50 0 IDAARN Cc1nn(C)c2c1nc(N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)n(C(C)C)c2=O ZINC000028556969 569412196 /nfs/dbraw/zinc/41/21/96/569412196.db2.gz LLZUANFTXBNMHQ-UHFFFAOYSA-N 0 0 448.524 1.669 50 0 IDAARN Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000002646149 569414249 /nfs/dbraw/zinc/41/42/49/569414249.db2.gz DDNWHYMFIBVHSX-IBGZPJMESA-N 0 0 427.526 1.942 50 0 IDAARN O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000002648019 569414446 /nfs/dbraw/zinc/41/44/46/569414446.db2.gz HIWOGVOKFOIJSC-UHFFFAOYSA-N 0 0 431.301 1.973 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000002654849 569415402 /nfs/dbraw/zinc/41/54/02/569415402.db2.gz BYXUMVQSLYPJRI-OAHLLOKOSA-N 0 0 433.486 1.288 50 0 IDAARN COc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 ZINC000002662976 569416215 /nfs/dbraw/zinc/41/62/15/569416215.db2.gz KNVYBSKDPOSWRM-UHFFFAOYSA-N 0 0 448.497 1.304 50 0 IDAARN Cc1cc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000230069166 569419892 /nfs/dbraw/zinc/41/98/92/569419892.db2.gz AVMWBNSUSDSIQY-SJORKVTESA-N 0 0 432.550 1.813 50 0 IDAARN CCOC(=O)c1sc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C(=O)OC)c1C ZINC000002803887 569422555 /nfs/dbraw/zinc/42/25/55/569422555.db2.gz VYMGEWJAJWFRLE-UHFFFAOYSA-N 0 0 432.520 1.630 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000056903880 569427543 /nfs/dbraw/zinc/42/75/43/569427543.db2.gz ZXNMOCXJFADJJQ-UHFFFAOYSA-N 0 0 435.575 1.525 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)NCc2cccs2)CC1 ZINC000056908040 569427667 /nfs/dbraw/zinc/42/76/67/569427667.db2.gz TVKGZGQQRGJNTR-INIZCTEOSA-N 0 0 437.591 1.953 50 0 IDAARN COc1ccc(N2C[C@H](NC(=O)NCCN3CCN(c4ccccc4)CC3)CC2=O)cc1 ZINC000056925357 569427690 /nfs/dbraw/zinc/42/76/90/569427690.db2.gz XXOPSEVGJCYSMY-LJQANCHMSA-N 0 0 437.544 1.922 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000056907944 569427716 /nfs/dbraw/zinc/42/77/16/569427716.db2.gz UUEZWHNENQZNQB-RTBURBONSA-N 0 0 446.573 1.976 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)NCc2cccs2)CC1 ZINC000056908038 569427725 /nfs/dbraw/zinc/42/77/25/569427725.db2.gz TVKGZGQQRGJNTR-MRXNPFEDSA-N 0 0 437.591 1.953 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000056938858 569427771 /nfs/dbraw/zinc/42/77/71/569427771.db2.gz PVHAYIIJVBMAKU-FQEVSTJZSA-N 0 0 445.589 1.298 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000056937708 569427808 /nfs/dbraw/zinc/42/78/08/569427808.db2.gz FHCHWTYIBKOVJK-KRWDZBQOSA-N 0 0 444.623 1.644 50 0 IDAARN COC(CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)OC ZINC000056945506 569427928 /nfs/dbraw/zinc/42/79/28/569427928.db2.gz ZAYJTKUROGIAAD-SFHVURJKSA-N 0 0 448.495 1.133 50 0 IDAARN CCn1c(N2CCN(Cc3ccc(Br)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952336 569428435 /nfs/dbraw/zinc/42/84/35/569428435.db2.gz JYMXWNBXZYGGRZ-UHFFFAOYSA-N 0 0 447.337 1.528 50 0 IDAARN CCOCCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952918 569428625 /nfs/dbraw/zinc/42/86/25/569428625.db2.gz ZULPEQLXOLQYLM-UHFFFAOYSA-N 0 0 446.939 1.435 50 0 IDAARN COc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000056998079 569429005 /nfs/dbraw/zinc/42/90/05/569429005.db2.gz YWRONASVWLGKOR-UXHICEINSA-N 0 0 430.526 1.761 50 0 IDAARN CCn1c(CN2CCN(c3cc(Cl)ccc3C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000057111141 569429542 /nfs/dbraw/zinc/42/95/42/569429542.db2.gz KISVXWYUATUOKR-UHFFFAOYSA-N 0 0 430.940 1.738 50 0 IDAARN COCCS(=O)(=O)N1CCC(NC(=O)[C@H](C)Oc2ccn(-c3ccccc3)n2)CC1 ZINC000226853148 569429722 /nfs/dbraw/zinc/42/97/22/569429722.db2.gz AITUWCOGGAMESG-INIZCTEOSA-N 0 0 436.534 1.196 50 0 IDAARN COc1cccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000057165738 569429899 /nfs/dbraw/zinc/42/98/99/569429899.db2.gz KZLRQPBUWSALTK-RBUKOAKNSA-N 0 0 446.525 1.727 50 0 IDAARN CCN(CC)S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000057323247 569431146 /nfs/dbraw/zinc/43/11/46/569431146.db2.gz FDNXRXMZSVZUOY-AWEZNQCLSA-N 0 0 447.399 1.980 50 0 IDAARN CCOCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000057389495 569433015 /nfs/dbraw/zinc/43/30/15/569433015.db2.gz SUHANRRZMOOZAE-UHFFFAOYSA-N 0 0 446.939 1.435 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414533 569433963 /nfs/dbraw/zinc/43/39/63/569433963.db2.gz XRKYJLQRRNQJOI-IBGZPJMESA-N 0 0 446.504 1.072 50 0 IDAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC[C@@H]5CCCO5)nc34)n2)cc1 ZINC000057503465 569438094 /nfs/dbraw/zinc/43/80/94/569438094.db2.gz DIHXPRGMZHXFRD-INIZCTEOSA-N 0 0 434.456 1.817 50 0 IDAARN COc1cccc(CNC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)c1 ZINC000057520277 569438737 /nfs/dbraw/zinc/43/87/37/569438737.db2.gz MOTSXFZKYAZIHY-UHFFFAOYSA-N 0 0 438.513 1.972 50 0 IDAARN CC(=O)c1cccc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)c1 ZINC000057520618 569438756 /nfs/dbraw/zinc/43/87/56/569438756.db2.gz AZAMCGNQEGADQV-UHFFFAOYSA-N 0 0 427.486 1.598 50 0 IDAARN Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000057520643 569438818 /nfs/dbraw/zinc/43/88/18/569438818.db2.gz JFADUAFKDYRUJV-UHFFFAOYSA-N 0 0 429.458 1.124 50 0 IDAARN Cc1cc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000230186699 569439895 /nfs/dbraw/zinc/43/98/95/569439895.db2.gz AVMWBNSUSDSIQY-IRXDYDNUSA-N 0 0 432.550 1.813 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)c1 ZINC000057615378 569440266 /nfs/dbraw/zinc/44/02/66/569440266.db2.gz ZRJYNFFHKSEWFQ-KRWDZBQOSA-N 0 0 441.550 1.151 50 0 IDAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc21 ZINC000030381851 569441976 /nfs/dbraw/zinc/44/19/76/569441976.db2.gz HQPUYIVLDOJKPB-UHFFFAOYSA-N 0 0 433.461 1.346 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003250861 569442888 /nfs/dbraw/zinc/44/28/88/569442888.db2.gz IOCAWSRAULGNCO-CQSZACIVSA-N 0 0 433.486 1.802 50 0 IDAARN COc1ccc(NC(=O)COC(=O)[C@H](CC(N)=O)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000003251803 569442945 /nfs/dbraw/zinc/44/29/45/569442945.db2.gz WKJGHUXIOPGHKG-INIZCTEOSA-N 0 0 433.848 1.504 50 0 IDAARN Cc1nc2sc3c(c2c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1)CCCC3 ZINC000003294482 569444578 /nfs/dbraw/zinc/44/45/78/569444578.db2.gz ADZMWJUSAGBKHI-UHFFFAOYSA-N 0 0 431.543 1.833 50 0 IDAARN COc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4c(=O)n3CCO)C2=O)cc1 ZINC000003296709 569444835 /nfs/dbraw/zinc/44/48/35/569444835.db2.gz BTFSXGKURFDTLA-QGZVFWFLSA-N 0 0 425.466 1.822 50 0 IDAARN C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003302111 569445068 /nfs/dbraw/zinc/44/50/68/569445068.db2.gz NBJYYQDJFFOXKR-HNNXBMFYSA-N 0 0 435.436 1.882 50 0 IDAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000003302368 569445106 /nfs/dbraw/zinc/44/51/06/569445106.db2.gz WIOLZCJVXTXCJL-SFHVURJKSA-N 0 0 447.465 1.185 50 0 IDAARN COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC ZINC000003360943 569447937 /nfs/dbraw/zinc/44/79/37/569447937.db2.gz MMCYZCBGTJXAPX-UHFFFAOYSA-N 0 0 434.514 1.963 50 0 IDAARN CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccc(Cl)cc1 ZINC000003360900 569447952 /nfs/dbraw/zinc/44/79/52/569447952.db2.gz JKHZMOCZKYXVHA-UHFFFAOYSA-N 0 0 434.909 1.573 50 0 IDAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000003376052 569448598 /nfs/dbraw/zinc/44/85/98/569448598.db2.gz GKDOACBJKLKKIV-OAHLLOKOSA-N 0 0 439.921 1.696 50 0 IDAARN COC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 ZINC000058142270 569448735 /nfs/dbraw/zinc/44/87/35/569448735.db2.gz ZDXFAOYHKLKZMD-JSGCOSHPSA-N 0 0 433.324 1.451 50 0 IDAARN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000058158539 569449098 /nfs/dbraw/zinc/44/90/98/569449098.db2.gz MGQGDIZLUQQLEF-IBGZPJMESA-N 0 0 444.285 1.874 50 0 IDAARN CCCn1c2nc(C(C)C)nc(SCC(=O)NC[C@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000003405886 569449865 /nfs/dbraw/zinc/44/98/65/569449865.db2.gz HHCYYABWCZVWLP-CYBMUJFWSA-N 0 0 435.550 1.411 50 0 IDAARN CNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003433778 569450941 /nfs/dbraw/zinc/45/09/41/569450941.db2.gz ZOQCAQNPWZVZMY-UHFFFAOYSA-N 0 0 431.470 1.046 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2C1=O ZINC000003445072 569451332 /nfs/dbraw/zinc/45/13/32/569451332.db2.gz WFTABMPBGJHICI-UHFFFAOYSA-N 0 0 436.873 1.848 50 0 IDAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000030988657 569452034 /nfs/dbraw/zinc/45/20/34/569452034.db2.gz OAXBGWSAEYTUJR-KRWDZBQOSA-N 0 0 444.513 1.787 50 0 IDAARN O=C(CSc1nnc(-c2cccnc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003495608 569452631 /nfs/dbraw/zinc/45/26/31/569452631.db2.gz FLJHQGFXJCZETJ-UHFFFAOYSA-N 0 0 445.526 1.757 50 0 IDAARN CC(C)CN(C(=O)c1nn(C)c(=O)c2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003528632 569453347 /nfs/dbraw/zinc/45/33/47/569453347.db2.gz ALRPQNPRCZHLMC-UHFFFAOYSA-N 0 0 440.504 1.325 50 0 IDAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC ZINC000003535477 569453518 /nfs/dbraw/zinc/45/35/18/569453518.db2.gz UDQPVYFXAAPAML-UHFFFAOYSA-N 0 0 441.535 1.618 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1 ZINC000058373010 569453863 /nfs/dbraw/zinc/45/38/63/569453863.db2.gz VOTZHGNJGFLSKP-UHFFFAOYSA-N 0 0 429.429 1.249 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)c(C)c1 ZINC000031210377 569454877 /nfs/dbraw/zinc/45/48/77/569454877.db2.gz WNZXKNAQVXAFST-UHFFFAOYSA-N 0 0 432.546 1.388 50 0 IDAARN O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000031226633 569454968 /nfs/dbraw/zinc/45/49/68/569454968.db2.gz WUIGMGILKWKJQN-GOSISDBHSA-N 0 0 425.514 1.984 50 0 IDAARN COC(=O)C[C@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1 ZINC000058490092 569455291 /nfs/dbraw/zinc/45/52/91/569455291.db2.gz AONVSJHZJGKGEO-AWEZNQCLSA-N 0 0 438.278 1.487 50 0 IDAARN O=C(CNC(=O)c1cccc(Br)c1)NCc1cccnc1N1CCOCC1 ZINC000031327938 569455912 /nfs/dbraw/zinc/45/59/12/569455912.db2.gz SBEQFPSJFAKYAJ-UHFFFAOYSA-N 0 0 433.306 1.727 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)cc1Br ZINC000031388616 569456262 /nfs/dbraw/zinc/45/62/62/569456262.db2.gz SCBJTXPGUIXMRV-UHFFFAOYSA-N 0 0 432.340 1.556 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000031484140 569456580 /nfs/dbraw/zinc/45/65/80/569456580.db2.gz LUDNGOPIDMBLAR-UHFFFAOYSA-N 0 0 444.282 1.913 50 0 IDAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)c1C ZINC000031717677 569457045 /nfs/dbraw/zinc/45/70/45/569457045.db2.gz IDSIGMFUJRNXSU-UHFFFAOYSA-N 0 0 448.483 1.941 50 0 IDAARN O=S(=O)(Nc1cccc(F)c1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031773035 569457303 /nfs/dbraw/zinc/45/73/03/569457303.db2.gz LWFQGBZZIYKJSL-MRXNPFEDSA-N 0 0 433.504 1.587 50 0 IDAARN CN(c1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772906 569457308 /nfs/dbraw/zinc/45/73/08/569457308.db2.gz VVUVDUPDIOYOFR-QGZVFWFLSA-N 0 0 429.541 1.473 50 0 IDAARN C[C@@H](Sc1nc2ccccc2c(NC2CC2)n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000031784661 569457432 /nfs/dbraw/zinc/45/74/32/569457432.db2.gz OQJSAYDMCVQNOV-SNVBAGLBSA-N 0 0 426.502 1.547 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000031806954 569457535 /nfs/dbraw/zinc/45/75/35/569457535.db2.gz RDBFEMRBRDNVRW-OAHLLOKOSA-N 0 0 442.497 1.564 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000004073864 569458635 /nfs/dbraw/zinc/45/86/35/569458635.db2.gz LEOVEARNUMKFIH-WNYOCNMUSA-N 0 0 428.533 1.892 50 0 biogenic IDAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C ZINC000004090792 569458915 /nfs/dbraw/zinc/45/89/15/569458915.db2.gz MVXWMRJNABVTPR-TWOQFEAHSA-N 0 0 427.567 1.196 50 0 biogenic IDAARN COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000032071232 569459263 /nfs/dbraw/zinc/45/92/63/569459263.db2.gz QFTCXIZINHGBMN-CQSZACIVSA-N 0 0 425.441 1.574 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000038488409 569463040 /nfs/dbraw/zinc/46/30/40/569463040.db2.gz WTFDNNYGRJGWHO-INIZCTEOSA-N 0 0 440.547 1.412 50 0 IDAARN O=C(CN1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1)Nc1ccc(F)cc1 ZINC000038581057 569464130 /nfs/dbraw/zinc/46/41/30/569464130.db2.gz FPYZUHGDVUCFTG-UHFFFAOYSA-N 0 0 426.496 1.615 50 0 IDAARN COCc1cc(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c(N2CCCC2)n1 ZINC000067256831 569466084 /nfs/dbraw/zinc/46/60/84/569466084.db2.gz YXXQQGPKOFFCCM-UHFFFAOYSA-N 0 0 430.505 1.366 50 0 IDAARN O=C(Cc1ccc(NS(=O)(=O)CCN2C(=O)CCCC2=O)cc1)NCc1cccs1 ZINC000038678514 569466648 /nfs/dbraw/zinc/46/66/48/569466648.db2.gz OWPGDANLXXDPNZ-UHFFFAOYSA-N 0 0 449.554 1.888 50 0 IDAARN CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@H](c3cccc(Cl)c3)NC(=O)N2)CC1 ZINC000067285587 569466918 /nfs/dbraw/zinc/46/69/18/569466918.db2.gz YQWBAWZGHKOKSE-KRWDZBQOSA-N 0 0 436.896 1.895 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286927 569467045 /nfs/dbraw/zinc/46/70/45/569467045.db2.gz ZDSZQHCJBIEEMZ-GOSISDBHSA-N 0 0 432.546 1.777 50 0 IDAARN CCOC(=O)CNC(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21 ZINC000067318316 569468465 /nfs/dbraw/zinc/46/84/65/569468465.db2.gz IATLKORQHBATFI-UHFFFAOYSA-N 0 0 433.424 1.793 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)N[C@H](C)c4ccccc4)c(=O)c3s2)CC1 ZINC000067319321 569468524 /nfs/dbraw/zinc/46/85/24/569468524.db2.gz WCZNVLBWDQMQHV-OAHLLOKOSA-N 0 0 426.546 1.872 50 0 IDAARN COc1cccc(CNC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)c1OC ZINC000067320375 569468599 /nfs/dbraw/zinc/46/85/99/569468599.db2.gz ZMEOWOCUPIYLMB-UHFFFAOYSA-N 0 0 427.432 1.780 50 0 IDAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2C[C@@H]2C)CC1 ZINC000067337975 569468953 /nfs/dbraw/zinc/46/89/53/569468953.db2.gz ADSYEVVOFQUBFX-GQBYZMJGSA-N 0 0 437.953 1.737 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2)cc1 ZINC000008639654 569469570 /nfs/dbraw/zinc/46/95/70/569469570.db2.gz HDVAONOBUPJGMZ-UHFFFAOYSA-N 0 0 447.513 1.629 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000038946941 569469639 /nfs/dbraw/zinc/46/96/39/569469639.db2.gz YMNQXSDHDGVFSY-WOJBJXKFSA-N 0 0 435.455 1.896 50 0 IDAARN COCCCn1c(C)cn2c1nc1c2c(=O)n(CC(=O)OCc2ccccc2)c(=O)n1C ZINC000008706555 569470531 /nfs/dbraw/zinc/47/05/31/569470531.db2.gz FNIGXQPEFDXOMF-UHFFFAOYSA-N 0 0 439.472 1.238 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cccc(OC)c2)n(C)c1=O ZINC000008706562 569470547 /nfs/dbraw/zinc/47/05/47/569470547.db2.gz FEIDQCFFSKEMSF-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cn4ccsc4n3)CC2)cc1 ZINC000008708025 569470608 /nfs/dbraw/zinc/47/06/08/569470608.db2.gz TWLVRZQAYVOFCX-UHFFFAOYSA-N 0 0 432.527 1.674 50 0 IDAARN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)c1c[nH]c2ccccc21 ZINC000008708518 569470661 /nfs/dbraw/zinc/47/06/61/569470661.db2.gz AFESBGMMKMKSJM-CHWSQXEVSA-N 0 0 431.470 1.448 50 0 IDAARN CCOC(=O)CCn1c(=O)c2c(nc3n2cc(C)n3-c2ccccc2OC)n(C)c1=O ZINC000008709868 569470779 /nfs/dbraw/zinc/47/07/79/569470779.db2.gz AQLDAETYWROTGD-UHFFFAOYSA-N 0 0 425.445 1.409 50 0 IDAARN CCc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008753641 569473729 /nfs/dbraw/zinc/47/37/29/569473729.db2.gz NIPXTTDVIXSSFN-GFCCVEGCSA-N 0 0 432.531 1.991 50 0 IDAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000008762417 569474352 /nfs/dbraw/zinc/47/43/52/569474352.db2.gz SLUJUBAKBITNKB-UHFFFAOYSA-N 0 0 434.518 1.761 50 0 IDAARN COc1cc2c(c3oc(=O)c(CCC(=O)N(C)C[C@H](O)CO)c(C)c13)CCC(C)(C)O2 ZINC000008764759 569474655 /nfs/dbraw/zinc/47/46/55/569474655.db2.gz ZDQXIUKRLJYSGU-AWEZNQCLSA-N 0 0 433.501 1.958 50 0 biogenic IDAARN COc1ccc2c(C)c(CC(=O)NCCNC(=O)c3ccncc3)c(=O)oc2c1OC ZINC000008764883 569474701 /nfs/dbraw/zinc/47/47/01/569474701.db2.gz SUMIDVKOAJXHHS-UHFFFAOYSA-N 0 0 425.441 1.602 50 0 biogenic IDAARN C[C@@H]1CC(=O)NN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000008772222 569475305 /nfs/dbraw/zinc/47/53/05/569475305.db2.gz LKGWFJMTMSQTSR-CYBMUJFWSA-N 0 0 428.942 1.969 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccccc1Br)N1CCN(C(=O)C2CC2)CC1 ZINC000008778389 569475434 /nfs/dbraw/zinc/47/54/34/569475434.db2.gz HMBILIXDKKAVSI-UHFFFAOYSA-N 0 0 444.351 1.198 50 0 IDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000008790438 569476070 /nfs/dbraw/zinc/47/60/70/569476070.db2.gz BMRYPTQIJUYKGS-MASGSYHESA-N 0 0 447.491 1.823 50 0 biogenic IDAARN CSCC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-] ZINC000008791661 569476285 /nfs/dbraw/zinc/47/62/85/569476285.db2.gz VFDAHDCURQFLDZ-ROUUACIJSA-N 0 0 433.574 1.621 50 0 biogenic IDAARN CCn1nc(C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc2c1=O ZINC000008807007 569476446 /nfs/dbraw/zinc/47/64/46/569476446.db2.gz PQTQCNMXGBFFOC-UHFFFAOYSA-N 0 0 439.468 1.949 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000008825678 569477425 /nfs/dbraw/zinc/47/74/25/569477425.db2.gz CDKXMQZAAJMSRV-UHFFFAOYSA-N 0 0 430.486 1.603 50 0 IDAARN COc1ccc(N2CCn3c2nn(CC(=O)NCc2ccccc2Cl)c(=O)c3=O)cc1 ZINC000008849324 569479241 /nfs/dbraw/zinc/47/92/41/569479241.db2.gz QRNJWKRUXFTFKG-UHFFFAOYSA-N 0 0 441.875 1.535 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(F)cc2)c(=O)c3=O)cc1 ZINC000008849402 569479244 /nfs/dbraw/zinc/47/92/44/569479244.db2.gz MJCRZUIYOHSOHI-UHFFFAOYSA-N 0 0 425.420 1.733 50 0 IDAARN COc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c3=O)cc1 ZINC000008849309 569479268 /nfs/dbraw/zinc/47/92/68/569479268.db2.gz NMKWTIVBPKSBMB-UHFFFAOYSA-N 0 0 427.848 1.857 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)cc1 ZINC000008849721 569479308 /nfs/dbraw/zinc/47/93/08/569479308.db2.gz PLPQEPIAGGCZKZ-UHFFFAOYSA-N 0 0 434.456 1.462 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)c1 ZINC000008849718 569479309 /nfs/dbraw/zinc/47/93/09/569479309.db2.gz XAVIYVHHAOEREG-UHFFFAOYSA-N 0 0 434.456 1.462 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000008861964 569480071 /nfs/dbraw/zinc/48/00/71/569480071.db2.gz CLQJLMJVMCLXEM-QHCPKHFHSA-N 0 0 447.451 1.111 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000008861965 569480077 /nfs/dbraw/zinc/48/00/77/569480077.db2.gz CLQJLMJVMCLXEM-HSZRJFAPSA-N 0 0 447.451 1.111 50 0 IDAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008868109 569480331 /nfs/dbraw/zinc/48/03/31/569480331.db2.gz KUBAFSYKCZBKBA-SNVBAGLBSA-N 0 0 449.963 1.425 50 0 IDAARN CC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)c3cccnc3)S(C)(=O)=O)cc21 ZINC000008870491 569480652 /nfs/dbraw/zinc/48/06/52/569480652.db2.gz JNTKKSBKVJOAKJ-UHFFFAOYSA-N 0 0 449.510 1.961 50 0 IDAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000008879038 569481300 /nfs/dbraw/zinc/48/13/00/569481300.db2.gz WUMNREVMXPFOPJ-KRWDZBQOSA-N 0 0 428.474 1.372 50 0 IDAARN Nn1c(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F ZINC000008878890 569481335 /nfs/dbraw/zinc/48/13/35/569481335.db2.gz JDARESWBYCPPQA-JTQLQIEISA-N 0 0 427.474 1.061 50 0 IDAARN COc1cccc([C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)c2c[nH]c3ccccc32)c1OC ZINC000040007661 569482491 /nfs/dbraw/zinc/48/24/91/569482491.db2.gz BKVDXTZLOKFNQD-GOSISDBHSA-N 0 0 448.479 1.983 50 0 IDAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)ccc21 ZINC000040012309 569482518 /nfs/dbraw/zinc/48/25/18/569482518.db2.gz XWKAIPUDTVLDHB-ZDUSSCGKSA-N 0 0 443.481 1.208 50 0 IDAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3)ccc21 ZINC000008884631 569483139 /nfs/dbraw/zinc/48/31/39/569483139.db2.gz HYPOBGRQOYNGOS-UHFFFAOYSA-N 0 0 441.469 1.414 50 0 IDAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000040040149 569483375 /nfs/dbraw/zinc/48/33/75/569483375.db2.gz MPWBSQYKPKEKNB-OLZOCXBDSA-N 0 0 445.925 1.518 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCN(C(=O)CC(C)C)CC1 ZINC000040051393 569484412 /nfs/dbraw/zinc/48/44/12/569484412.db2.gz RBZXXWMYOBOZBX-QGZVFWFLSA-N 0 0 438.594 1.763 50 0 IDAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1nc2ccccc2[nH]1 ZINC000040070034 569485605 /nfs/dbraw/zinc/48/56/05/569485605.db2.gz PQOZEGARODSBDZ-CYBMUJFWSA-N 0 0 427.486 1.174 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nn3)cc2)CC1 ZINC000040073824 569486144 /nfs/dbraw/zinc/48/61/44/569486144.db2.gz FONNADXCQOLHAB-UHFFFAOYSA-N 0 0 426.502 1.456 50 0 IDAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O ZINC000008922967 569486958 /nfs/dbraw/zinc/48/69/58/569486958.db2.gz MAXCYNYYCPOYTK-HXUWFJFHSA-N 0 0 428.518 1.985 50 0 IDAARN CC[C@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000008926308 569487210 /nfs/dbraw/zinc/48/72/10/569487210.db2.gz ADKZLPSUQMFQGQ-SNVBAGLBSA-N 0 0 426.304 1.972 50 0 IDAARN CN1CCN(S(=O)(=O)N2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)CC1 ZINC000040094054 569487482 /nfs/dbraw/zinc/48/74/82/569487482.db2.gz QAEPRTZPTQLUAM-UHFFFAOYSA-N 0 0 449.404 1.562 50 0 IDAARN Cc1ccc(-c2cnc(CCC(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1C ZINC000040094537 569487501 /nfs/dbraw/zinc/48/75/01/569487501.db2.gz XIRLDJDDSFXUCF-QGZVFWFLSA-N 0 0 433.530 1.701 50 0 IDAARN C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000008934144 569487926 /nfs/dbraw/zinc/48/79/26/569487926.db2.gz FZBQMZYVMCIGLY-SNVBAGLBSA-N 0 0 426.304 1.972 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000040106422 569488374 /nfs/dbraw/zinc/48/83/74/569488374.db2.gz GEQWDVMUMNCUCB-HNNXBMFYSA-N 0 0 435.571 1.728 50 0 IDAARN CONS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1 ZINC000040106842 569488391 /nfs/dbraw/zinc/48/83/91/569488391.db2.gz GYQDDYMBFLJWID-GASCZTMLSA-N 0 0 434.518 1.465 50 0 IDAARN O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(C(F)(F)F)nc1 ZINC000040106951 569488404 /nfs/dbraw/zinc/48/84/04/569488404.db2.gz DLCJHJBMXQXAPD-UHFFFAOYSA-N 0 0 428.392 1.473 50 0 IDAARN C[C@@H]1CN(c2ccc(CNC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cn2)C[C@@H](C)O1 ZINC000040106841 569488445 /nfs/dbraw/zinc/48/84/45/569488445.db2.gz JSAPIFMNGRSVCF-IAGOWNOFSA-N 0 0 443.548 1.956 50 0 IDAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1cccnc1-n1cncn1 ZINC000040108939 569488529 /nfs/dbraw/zinc/48/85/29/569488529.db2.gz XEGMJYFXWOYSTH-UHFFFAOYSA-N 0 0 431.382 1.595 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000008942680 569488691 /nfs/dbraw/zinc/48/86/91/569488691.db2.gz XAQRTJZDLSURRZ-BXWFABGCSA-N 0 0 426.535 1.477 50 0 IDAARN C[C@]1(c2cccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)c2)NC(=O)NC1=O ZINC000040111196 569488809 /nfs/dbraw/zinc/48/88/09/569488809.db2.gz TULLARGKWHFAIF-HXUWFJFHSA-N 0 0 427.461 1.325 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 ZINC000008954859 569490072 /nfs/dbraw/zinc/49/00/72/569490072.db2.gz UHCGUYBANICVEC-UHFFFAOYSA-N 0 0 432.527 1.652 50 0 IDAARN CCCS(=O)(=O)NC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1 ZINC000040133733 569490450 /nfs/dbraw/zinc/49/04/50/569490450.db2.gz ANQPBAIKOZAKER-UHFFFAOYSA-N 0 0 447.579 1.307 50 0 IDAARN CCOc1ccccc1CN(C[C@H](C)O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000040138949 569490738 /nfs/dbraw/zinc/49/07/38/569490738.db2.gz QUYNDNAOGSDYSW-INIZCTEOSA-N 0 0 435.546 1.868 50 0 IDAARN Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1S(C)(=O)=O ZINC000040145176 569492068 /nfs/dbraw/zinc/49/20/68/569492068.db2.gz XRTKLZFIVHXLLZ-UHFFFAOYSA-N 0 0 431.562 1.674 50 0 IDAARN CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000040149084 569492403 /nfs/dbraw/zinc/49/24/03/569492403.db2.gz JOOJEQDAZPOBBC-UHFFFAOYSA-N 0 0 448.589 1.938 50 0 IDAARN COC(=O)c1ccccc1NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000040149928 569493115 /nfs/dbraw/zinc/49/31/15/569493115.db2.gz ZPLIXGXONOAGBX-UHFFFAOYSA-N 0 0 428.470 1.772 50 0 IDAARN COC(=O)c1cnc(NCCc2cn3ccccc3n2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040153526 569493650 /nfs/dbraw/zinc/49/36/50/569493650.db2.gz AENQZALDZWSDDY-UHFFFAOYSA-N 0 0 445.501 1.191 50 0 IDAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000040154127 569493698 /nfs/dbraw/zinc/49/36/98/569493698.db2.gz SXCVHFRHOGXAJN-INIZCTEOSA-N 0 0 441.893 1.253 50 0 IDAARN O=C(CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1ccccn1 ZINC000040154461 569493722 /nfs/dbraw/zinc/49/37/22/569493722.db2.gz ABDPZWLVJRKYRX-UHFFFAOYSA-N 0 0 430.530 1.768 50 0 IDAARN O=C(c1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c[nH]1)N1CCCC1 ZINC000040154164 569493784 /nfs/dbraw/zinc/49/37/84/569493784.db2.gz ZPNJBEBXZKQVHA-UHFFFAOYSA-N 0 0 448.520 1.973 50 0 IDAARN Cc1ncc(CN(C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000040154603 569493822 /nfs/dbraw/zinc/49/38/22/569493822.db2.gz ZBQXTMIPNXQEAS-CQSZACIVSA-N 0 0 438.575 1.931 50 0 IDAARN CNS(=O)(=O)c1cc(/C=C/C(=O)Nc2cccc(OCCC(N)=O)c2)ccc1OC ZINC000040158079 569494417 /nfs/dbraw/zinc/49/44/17/569494417.db2.gz CAAIKKXUBJRFED-VQHVLOKHSA-N 0 0 433.486 1.509 50 0 IDAARN CC(=O)CC(C)(C)NC(=O)CCN1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000040161609 569495211 /nfs/dbraw/zinc/49/52/11/569495211.db2.gz RMMKHEKRNMTWCS-UHFFFAOYSA-N 0 0 437.562 1.460 50 0 IDAARN O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccccn1 ZINC000008991095 569495241 /nfs/dbraw/zinc/49/52/41/569495241.db2.gz IFFUWYAEFGMYOP-UHFFFAOYSA-N 0 0 434.493 1.054 50 0 IDAARN CCOc1ncccc1C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccccn1 ZINC000008993316 569495411 /nfs/dbraw/zinc/49/54/11/569495411.db2.gz QLAOLFYUOFNXEV-UHFFFAOYSA-N 0 0 434.518 1.180 50 0 IDAARN CC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1 ZINC000009001627 569496008 /nfs/dbraw/zinc/49/60/08/569496008.db2.gz XZNMCXKABDBCOO-UHFFFAOYSA-N 0 0 429.436 1.843 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)NCc1ccccc1Cl ZINC000009001645 569496036 /nfs/dbraw/zinc/49/60/36/569496036.db2.gz LMKJRYCLZRXXAS-UHFFFAOYSA-N 0 0 435.871 1.971 50 0 IDAARN CCN1CCN(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)C(=O)C1=O ZINC000244933132 569496491 /nfs/dbraw/zinc/49/64/91/569496491.db2.gz CCWLFZHUWGDFPQ-UHFFFAOYSA-N 0 0 428.415 1.173 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)NCCN3c4ccccc4N(C)S3(=O)=O)CC2=O)cc1 ZINC000245015194 569496974 /nfs/dbraw/zinc/49/69/74/569496974.db2.gz LQDAYUDRGQNBDB-OAHLLOKOSA-N 0 0 444.513 1.366 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)CCC(F)(F)F)CC1 ZINC000245070544 569497116 /nfs/dbraw/zinc/49/71/16/569497116.db2.gz QOKDTFGNGPVUJB-UHFFFAOYSA-N 0 0 432.490 1.016 50 0 IDAARN CC(=O)N[C@@H]1[C@H](Sc2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245130838 569497523 /nfs/dbraw/zinc/49/75/23/569497523.db2.gz VADVOLSTRCVERX-DEPCRRQNSA-N 0 0 439.486 1.435 50 0 IDAARN CC(=O)N[C@@H]1[C@H](Sc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245130840 569497548 /nfs/dbraw/zinc/49/75/48/569497548.db2.gz VADVOLSTRCVERX-RMMWZPCPSA-N 0 0 439.486 1.435 50 0 IDAARN COCCCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450247 569506251 /nfs/dbraw/zinc/50/62/51/569506251.db2.gz MWYVAVIRAXEYSJ-UHFFFAOYSA-N 0 0 447.351 1.675 50 0 IDAARN CNC(=O)CNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000009049969 569498636 /nfs/dbraw/zinc/49/86/36/569498636.db2.gz AHOGSSZABAYITH-UHFFFAOYSA-N 0 0 441.509 1.906 50 0 IDAARN COc1c2c(c(S(=O)(=O)N[C@H](CO)Cc3ccccc3)c3c1CN(C)CC3)OCO2 ZINC000040309481 569498654 /nfs/dbraw/zinc/49/86/54/569498654.db2.gz CTIPPFXSLMAPQZ-HNNXBMFYSA-N 0 0 434.514 1.294 50 0 biogenic IDAARN O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000009050850 569498713 /nfs/dbraw/zinc/49/87/13/569498713.db2.gz MQMLCFXQFXGFKO-FQEVSTJZSA-N 0 0 443.521 1.644 50 0 IDAARN CCCCn1c(N)c(N(C(=O)Cn2nnc3ccccc32)C2CCCC2)c(=O)[nH]c1=O ZINC000009054170 569498845 /nfs/dbraw/zinc/49/88/45/569498845.db2.gz KKZNDFTYPWSRJX-UHFFFAOYSA-N 0 0 425.493 1.639 50 0 IDAARN CCn1cc(C(=O)NCCC(=O)NCCCn2ccnc2)c(=O)c2cc3c(cc21)OCO3 ZINC000009060181 569499374 /nfs/dbraw/zinc/49/93/74/569499374.db2.gz WVHSKNLLVHGZFD-UHFFFAOYSA-N 0 0 439.472 1.273 50 0 IDAARN 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CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)c1 ZINC000009690060 569560967 /nfs/dbraw/zinc/56/09/67/569560967.db2.gz KOAAGYHJPRCJAP-SNVBAGLBSA-N 0 0 446.938 1.538 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009692548 569561101 /nfs/dbraw/zinc/56/11/01/569561101.db2.gz VGIMSJOYWAXZCB-UHFFFAOYSA-N 0 0 441.535 1.049 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009703347 569561292 /nfs/dbraw/zinc/56/12/92/569561292.db2.gz PMJUPTQFYKUTDB-OAHLLOKOSA-N 0 0 448.497 1.957 50 0 IDAARN CCCn1c(=O)n(C)c(=O)c2c1NC1=C(C(=O)OC1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000009704857 569561489 /nfs/dbraw/zinc/56/14/89/569561489.db2.gz XZDBRXBRTCAJLU-HNNXBMFYSA-N 0 0 443.456 1.351 50 0 IDAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=NN3CC(=O)OCc1ccccc1 ZINC000009707505 569561576 /nfs/dbraw/zinc/56/15/76/569561576.db2.gz MRFGWUDJIFLKPU-UHFFFAOYSA-N 0 0 438.488 1.399 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n2cc(C)n3Cc2ccc(OC)cc2)n(C)c1=O ZINC000009713003 569562427 /nfs/dbraw/zinc/56/24/27/569562427.db2.gz XURUXPCQKWPHGE-UHFFFAOYSA-N 0 0 425.445 1.078 50 0 IDAARN COc1ccc(CCn2c(C)cn3c2nc2c3c(=O)n(CC(C)=O)c(=O)n2C)cc1OC ZINC000009713068 569562478 /nfs/dbraw/zinc/56/24/78/569562478.db2.gz VGVVNFQPZFAJJY-UHFFFAOYSA-N 0 0 439.472 1.307 50 0 IDAARN COc1ccc(OC)c(-n2c(C)c(C)n3c2nc2c3c(=O)n(CC(C)=O)c(=O)n2C)c1 ZINC000009713138 569562505 /nfs/dbraw/zinc/56/25/05/569562505.db2.gz MZYSYZQMWAVYHN-UHFFFAOYSA-N 0 0 425.445 1.362 50 0 IDAARN Cc1cccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 ZINC000009713230 569562549 /nfs/dbraw/zinc/56/25/49/569562549.db2.gz ICHIOGDXUGHRLR-UHFFFAOYSA-N 0 0 428.452 1.599 50 0 IDAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 ZINC000009722586 569563499 /nfs/dbraw/zinc/56/34/99/569563499.db2.gz JZKPSCUBDOKSAU-UHFFFAOYSA-N 0 0 441.531 1.383 50 0 IDAARN C[C@@H]1Oc2ccc(NC(=O)[C@@H]3CCCN3C3=NS(=O)(=O)c4ccccc43)cc2NC1=O ZINC000009726017 569563881 /nfs/dbraw/zinc/56/38/81/569563881.db2.gz VRALGDPWYKZZQY-LRDDRELGSA-N 0 0 440.481 1.958 50 0 IDAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009726427 569563913 /nfs/dbraw/zinc/56/39/13/569563913.db2.gz OFHNNAQDFAABHE-UHFFFAOYSA-N 0 0 448.497 1.280 50 0 IDAARN CCn1cc(C(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c(=O)c2ccc(C)nc21 ZINC000009729179 569564212 /nfs/dbraw/zinc/56/42/12/569564212.db2.gz DDBBXIUXSJEQSZ-QHCPKHFHSA-N 0 0 449.467 1.845 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2Cc2cccs2)C1=O ZINC000009730503 569564469 /nfs/dbraw/zinc/56/44/69/569564469.db2.gz CUOGXWWPEFSEND-SFHVURJKSA-N 0 0 443.514 1.373 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCc1ccco1 ZINC000009741682 569565291 /nfs/dbraw/zinc/56/52/91/569565291.db2.gz AWCFYYFGQKHJIG-FQEVSTJZSA-N 0 0 431.514 1.701 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000009764164 569566685 /nfs/dbraw/zinc/56/66/85/569566685.db2.gz ZOVXFMBIJCBVIK-NRFANRHFSA-N 0 0 443.525 1.216 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)Cc2ccc3c(c2)OCO3)c1 ZINC000009766404 569566820 /nfs/dbraw/zinc/56/68/20/569566820.db2.gz DLSSQBXPNHSUGF-UHFFFAOYSA-N 0 0 435.502 1.266 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000009766574 569566904 /nfs/dbraw/zinc/56/69/04/569566904.db2.gz LHGVOANAUXJEQK-NRFANRHFSA-N 0 0 442.497 1.583 50 0 IDAARN COc1ccc(Cn2nnnc2SCC(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000009783379 569567853 /nfs/dbraw/zinc/56/78/53/569567853.db2.gz OHNAYWYLBOKGSC-INIZCTEOSA-N 0 0 427.486 1.778 50 0 IDAARN COc1ccc(C(=O)NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000009788320 569567930 /nfs/dbraw/zinc/56/79/30/569567930.db2.gz FQXNVFWSVXQIBV-UHFFFAOYSA-N 0 0 427.381 1.805 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000009788190 569567956 /nfs/dbraw/zinc/56/79/56/569567956.db2.gz IGMDAMPNPOOCKX-UHFFFAOYSA-N 0 0 448.425 1.126 50 0 IDAARN C[C@@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009799554 569568584 /nfs/dbraw/zinc/56/85/84/569568584.db2.gz UFBKLWFPYAHLCL-OAHLLOKOSA-N 0 0 442.501 1.853 50 0 IDAARN C[C@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009805212 569568659 /nfs/dbraw/zinc/56/86/59/569568659.db2.gz JMMTXYWTYCDYMD-LBPRGKRZSA-N 0 0 445.526 1.581 50 0 IDAARN C[C@@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009805213 569568708 /nfs/dbraw/zinc/56/87/08/569568708.db2.gz JMMTXYWTYCDYMD-GFCCVEGCSA-N 0 0 445.526 1.581 50 0 IDAARN O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000009806033 569568826 /nfs/dbraw/zinc/56/88/26/569568826.db2.gz VSPVNBLLDKQCJT-SFHVURJKSA-N 0 0 449.960 1.968 50 0 IDAARN COc1cccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009806222 569568902 /nfs/dbraw/zinc/56/89/02/569568902.db2.gz OFHSXMSKEOIIAE-GOSISDBHSA-N 0 0 445.541 1.589 50 0 IDAARN CCOC(=O)C1CCN(C(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(C)cc2)c3=O)CC1 ZINC000009821071 569569435 /nfs/dbraw/zinc/56/94/35/569569435.db2.gz RNEXHEZQZKKETB-UHFFFAOYSA-N 0 0 438.484 1.741 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnnn1C1CC1 ZINC000009823718 569569626 /nfs/dbraw/zinc/56/96/26/569569626.db2.gz OEQFFIFYAGIADQ-UHFFFAOYSA-N 0 0 438.535 1.068 50 0 IDAARN CC(C)N(C(=O)Cn1c2cccnc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)C(C)C ZINC000009843455 569570868 /nfs/dbraw/zinc/57/08/68/569570868.db2.gz ZNEXLQLLVAFFRY-UHFFFAOYSA-N 0 0 438.484 1.981 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)cc1OC ZINC000009857442 569571685 /nfs/dbraw/zinc/57/16/85/569571685.db2.gz OUPXFRHEXXHJLP-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN COC(=O)c1c(C)c2ccccc2nc1Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000009865116 569572160 /nfs/dbraw/zinc/57/21/60/569572160.db2.gz XWUYJMPRSPOHTB-UHFFFAOYSA-N 0 0 427.848 1.779 50 0 IDAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1nonc1NC(C)=O ZINC000009877520 569572648 /nfs/dbraw/zinc/57/26/48/569572648.db2.gz JNDCNNMKECLBME-UHFFFAOYSA-N 0 0 445.461 1.808 50 0 IDAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O ZINC000009876879 569572658 /nfs/dbraw/zinc/57/26/58/569572658.db2.gz YQNKURXYKFCFCR-KRWDZBQOSA-N 0 0 441.484 1.966 50 0 IDAARN O=C(Cn1ccc2cc(Br)ccc21)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000071279395 569573554 /nfs/dbraw/zinc/57/35/54/569573554.db2.gz RSVVARJZMGPYAN-UHFFFAOYSA-N 0 0 449.349 1.407 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009948891 569574234 /nfs/dbraw/zinc/57/42/34/569574234.db2.gz BUCLZGDQOVSCCK-JTSKRJEESA-N 0 0 445.541 1.338 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H](c3nc4ccccc4s3)C1)c(=O)n2C ZINC000009950066 569574327 /nfs/dbraw/zinc/57/43/27/569574327.db2.gz QVRVKFUBPOTMHO-CYBMUJFWSA-N 0 0 438.513 1.450 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2nc3c(N4CCC[C@@H](C)C4)nccn3c2=O)c1 ZINC000071328210 569575509 /nfs/dbraw/zinc/57/55/09/569575509.db2.gz ORECZBAGGCRHSS-CQSZACIVSA-N 0 0 426.477 1.783 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)OCC(=O)NCCc2ccc(F)cc2)nc1N ZINC000009984925 569576674 /nfs/dbraw/zinc/57/66/74/569576674.db2.gz SKMIVHRRBTXHNH-UHFFFAOYSA-N 0 0 436.465 1.369 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)nc1N ZINC000009987201 569576798 /nfs/dbraw/zinc/57/67/98/569576798.db2.gz PPSWWNUDDRGANC-LBPRGKRZSA-N 0 0 430.486 1.849 50 0 IDAARN COc1ccc(NCCN2N=C(C)[C@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl ZINC000010108892 569577907 /nfs/dbraw/zinc/57/79/07/569577907.db2.gz QZCVWHLTXUTKNJ-LBPRGKRZSA-N 0 0 445.911 1.965 50 0 IDAARN CCOc1ccc(NCCN2N=C(C)[C@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000010108874 569577937 /nfs/dbraw/zinc/57/79/37/569577937.db2.gz KFEAQVZGHXGYON-AWEZNQCLSA-N 0 0 425.493 1.701 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000010188064 569578800 /nfs/dbraw/zinc/57/88/00/569578800.db2.gz HYUVTNSBLUUHSW-NSHDSACASA-N 0 0 446.437 1.432 50 0 IDAARN CCOC(=O)c1sc(NC(=O)CSc2[nH]c(=O)nc(C)c2C(=O)OCC)nc1C ZINC000010213766 569579103 /nfs/dbraw/zinc/57/91/03/569579103.db2.gz CZXOFJDCLGUFDO-UHFFFAOYSA-N 0 0 440.503 1.927 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000010263280 569579997 /nfs/dbraw/zinc/57/99/97/569579997.db2.gz CTTHNGSPNBKQPE-INIZCTEOSA-N 0 0 436.530 1.844 50 0 IDAARN CCCCCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(S(N)(=O)=O)cc2)n(C)c1=O ZINC000010233450 569579559 /nfs/dbraw/zinc/57/95/59/569579559.db2.gz IZNCBFGEFMIWLA-UHFFFAOYSA-N 0 0 444.517 1.285 50 0 IDAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1cccnc1)CS(=O)(=O)C2 ZINC000010250593 569579786 /nfs/dbraw/zinc/57/97/86/569579786.db2.gz VTOPCQPYZJRJLX-UHFFFAOYSA-N 0 0 425.470 1.259 50 0 IDAARN CC(C)(C)n1ncc2c1ncn(NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)c2=O ZINC000010250947 569579861 /nfs/dbraw/zinc/57/98/61/569579861.db2.gz MZAVRCNDSZHSBW-UHFFFAOYSA-N 0 0 444.517 1.516 50 0 IDAARN CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000010256106 569579984 /nfs/dbraw/zinc/57/99/84/569579984.db2.gz JONYYDDOOIHWBN-HXUWFJFHSA-N 0 0 443.525 1.415 50 0 IDAARN CCOc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)OC)c(=O)n1C ZINC000010271889 569580074 /nfs/dbraw/zinc/58/00/74/569580074.db2.gz DVLCPTFWNIWSLK-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000010274082 569580324 /nfs/dbraw/zinc/58/03/24/569580324.db2.gz GCHLJPROHBAOGF-HNNXBMFYSA-N 0 0 439.472 1.685 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000010274079 569580369 /nfs/dbraw/zinc/58/03/69/569580369.db2.gz GCHLJPROHBAOGF-OAHLLOKOSA-N 0 0 439.472 1.685 50 0 IDAARN Nc1nc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)ncc1C(=O)NCc1ccccc1 ZINC000071772180 569580912 /nfs/dbraw/zinc/58/09/12/569580912.db2.gz GOBWTGOLVWDHAD-UHFFFAOYSA-N 0 0 444.495 1.407 50 0 IDAARN CCCCN(C(=O)CSc1nnc(NCC)s1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000010344516 569581381 /nfs/dbraw/zinc/58/13/81/569581381.db2.gz SHUVPCJUTHUJEF-UHFFFAOYSA-N 0 0 441.583 1.738 50 0 IDAARN CCN(CC)S(=O)(=O)N1CCN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000010374386 569581553 /nfs/dbraw/zinc/58/15/53/569581553.db2.gz DRWMJECJEXEOTB-UHFFFAOYSA-N 0 0 437.518 1.211 50 0 IDAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000010382254 569581739 /nfs/dbraw/zinc/58/17/39/569581739.db2.gz WWDUFLGELUPDEQ-AWEZNQCLSA-N 0 0 434.967 1.822 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cn2cncn2)cc1 ZINC000010390817 569581839 /nfs/dbraw/zinc/58/18/39/569581839.db2.gz GPTPQIKKEJYVDI-UHFFFAOYSA-N 0 0 441.513 1.277 50 0 IDAARN CCN(CC(=O)Nc1cc(F)cc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010431851 569582066 /nfs/dbraw/zinc/58/20/66/569582066.db2.gz MEVAPWZDFDNRHQ-UHFFFAOYSA-N 0 0 429.427 1.910 50 0 IDAARN CCN(Cc1cc(=O)n2c(C)csc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010431094 569582084 /nfs/dbraw/zinc/58/20/84/569582084.db2.gz STLCMOITHXZJBN-UHFFFAOYSA-N 0 0 438.513 1.571 50 0 IDAARN CCN(C(=O)CCc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010441338 569582207 /nfs/dbraw/zinc/58/22/07/569582207.db2.gz LIKDWOUBHNWSGL-UHFFFAOYSA-N 0 0 436.468 1.882 50 0 IDAARN CCCc1sc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)nc1C(=O)OC ZINC000079493797 569583922 /nfs/dbraw/zinc/58/39/22/569583922.db2.gz HKGAAJKHKQNQRA-GFCCVEGCSA-N 0 0 440.547 2.307 50 0 IDAARN COc1ccc(-n2nnc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)n2)cc1 ZINC000077100318 569585333 /nfs/dbraw/zinc/58/53/33/569585333.db2.gz XITPPAIRJBKSMC-UHFFFAOYSA-N 0 0 430.471 1.936 50 0 IDAARN Cc1cc(C(=O)Nc2ccc(-n3nnn(CC(=O)NCc4ccco4)c3=O)cc2)c(C)o1 ZINC000077100280 569585362 /nfs/dbraw/zinc/58/53/62/569585362.db2.gz AOKHVJWKTZXEDK-UHFFFAOYSA-N 0 0 436.428 1.801 50 0 IDAARN CNC(=O)Cn1nnn(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000077100218 569585371 /nfs/dbraw/zinc/58/53/71/569585371.db2.gz ZFVABHCSVUXSQJ-UHFFFAOYSA-N 0 0 435.366 1.838 50 0 IDAARN CNC(=O)Cn1nnn(-c2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2)c1=O ZINC000077100216 569585378 /nfs/dbraw/zinc/58/53/78/569585378.db2.gz JJXLZDYRTBRMAG-UHFFFAOYSA-N 0 0 426.502 1.687 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)CC2=O)cc1 ZINC000077101280 569585611 /nfs/dbraw/zinc/58/56/11/569585611.db2.gz VOWCCHYGAWOLLM-QGZVFWFLSA-N 0 0 447.495 1.680 50 0 IDAARN CCn1c(=O)n(CCOC)nc1C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000077147064 569585670 /nfs/dbraw/zinc/58/56/70/569585670.db2.gz VHDUIOKSIHREKM-UHFFFAOYSA-N 0 0 425.493 1.312 50 0 IDAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077190968 569585927 /nfs/dbraw/zinc/58/59/27/569585927.db2.gz SECKRLUQANNNMM-UHFFFAOYSA-N 0 0 435.362 1.622 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)N1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 ZINC000077192019 569586032 /nfs/dbraw/zinc/58/60/32/569586032.db2.gz GUGBJJQNJKSIRN-MRXNPFEDSA-N 0 0 439.497 1.555 50 0 IDAARN Cc1cc(N2CCN(C(=O)[C@@H]3CCCN(c4cc(-n5ccnc5)ncn4)C3)CC2)ncn1 ZINC000077200576 569586471 /nfs/dbraw/zinc/58/64/71/569586471.db2.gz NYORYAUSXUAJHE-GOSISDBHSA-N 0 0 433.520 1.326 50 0 IDAARN O=C1C[C@H](N2CCC(NS(=O)(=O)c3ccccc3)CC2)C(=O)N1Cc1ccccc1 ZINC000078265883 569586595 /nfs/dbraw/zinc/58/65/95/569586595.db2.gz ZMMAUDMHKMXBMI-FQEVSTJZSA-N 0 0 427.526 1.757 50 0 IDAARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccc([S@](C)=O)cc2)CC1 ZINC000078307579 569586640 /nfs/dbraw/zinc/58/66/40/569586640.db2.gz UMKZAVHCRIQXSV-HHHXNRCGSA-N 0 0 427.592 1.691 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)Nc3cc(-n4cnnn4)ccc3N3CCOCC3)CC2=O)cc1 ZINC000021884342 569587132 /nfs/dbraw/zinc/58/71/32/569587132.db2.gz GMEWBYCYOLNCCA-KRWDZBQOSA-N 0 0 447.499 1.799 50 0 IDAARN NS(=O)(=O)c1ccc(N2CCN(CC(=O)NCCc3c(F)cccc3F)CC2)cc1 ZINC000525788116 569587717 /nfs/dbraw/zinc/58/77/17/569587717.db2.gz PNDXVPOBMKBXHC-UHFFFAOYSA-N 0 0 438.500 1.093 50 0 IDAARN Cn1c2nc(NCCc3ccccc3)n(C[C@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000000626019 193861174 /nfs/dbraw/zinc/86/11/74/193861174.db2.gz FJBLOXIGYXQGRP-KRWDZBQOSA-N 0 0 435.484 1.518 50 0 aggregator IDAARN CCc1ccc(OC[C@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000000626053 193861267 /nfs/dbraw/zinc/86/12/67/193861267.db2.gz RWWVGPMDWYPIBA-QGZVFWFLSA-N 0 0 441.532 1.426 50 0 IDAARN Cn1c2nc(N3CCCCC3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000000632451 193864266 /nfs/dbraw/zinc/86/42/66/193864266.db2.gz NGXFCLGZSLACPB-AWEZNQCLSA-N 0 0 433.896 1.507 50 0 IDAARN CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CNC(=O)c3ccccc3)[C@H](NC(=O)c3ccccc3)[C@@H]2O1 ZINC000000638789 193866806 /nfs/dbraw/zinc/86/68/06/193866806.db2.gz UEDFTTNMYCEQLI-SHUHUVMISA-N 0 0 426.469 1.452 50 0 IDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)cc1OC ZINC000000657322 193875452 /nfs/dbraw/zinc/87/54/52/193875452.db2.gz GIVWDTZTMBWWOL-UHFFFAOYSA-N 0 0 426.535 1.886 50 0 IDAARN C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009839891 193903436 /nfs/dbraw/zinc/90/34/36/193903436.db2.gz DOZZOABYIGICAS-CYBMUJFWSA-N 0 0 444.473 1.097 50 0 IDAARN COc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1OC ZINC000055088285 193935209 /nfs/dbraw/zinc/93/52/09/193935209.db2.gz ZCXJOXQGUATTLV-QGZVFWFLSA-N 0 0 433.455 1.989 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1F ZINC000009569880 132235097 /nfs/dbraw/zinc/23/50/97/132235097.db2.gz IIVADBULCICWQJ-UHFFFAOYSA-N 0 0 427.448 1.986 50 0 IDAARN Cc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009570000 132235210 /nfs/dbraw/zinc/23/52/10/132235210.db2.gz ZOGRWEKYBPREPE-UHFFFAOYSA-N 0 0 435.521 1.781 50 0 IDAARN COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)Cc2ccc(F)cc2)CC1 ZINC000009570174 132235667 /nfs/dbraw/zinc/23/56/67/132235667.db2.gz JFXAPCVMXDQLNO-UHFFFAOYSA-N 0 0 435.521 1.645 50 0 IDAARN O=c1/c(=C/c2ccc(I)o2)sc2n1CN(c1ccccc1)CN=2 ZINC000001239956 132240638 /nfs/dbraw/zinc/24/06/38/132240638.db2.gz KRECLKXHSZNRTL-JYRVWZFOSA-N 0 0 437.262 1.991 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)c(Cl)c2)n(C)c1=O ZINC000010102291 132242735 /nfs/dbraw/zinc/24/27/35/132242735.db2.gz ZJCMGLACKQXHKA-UHFFFAOYSA-N 0 0 433.852 1.274 50 0 IDAARN COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O ZINC000010102646 132242947 /nfs/dbraw/zinc/24/29/47/132242947.db2.gz HONPENASQTYVCP-CYBMUJFWSA-N 0 0 429.477 1.348 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000009796964 132244319 /nfs/dbraw/zinc/24/43/19/132244319.db2.gz CWBBZJIGNKOUCF-UHFFFAOYSA-N 0 0 444.557 1.889 50 0 IDAARN O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CN(c1cccc(Br)c1)CN=2 ZINC000002354221 132252682 /nfs/dbraw/zinc/25/26/82/132252682.db2.gz AWFQEXVXWZDJFQ-NXVVXOECSA-N 0 0 441.310 1.878 50 0 IDAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N1CCOCC1 ZINC000003229891 132262465 /nfs/dbraw/zinc/26/24/65/132262465.db2.gz GHCHATFAXMZLJW-UHFFFAOYSA-N 0 0 444.509 1.844 50 0 IDAARN O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000003355403 132264467 /nfs/dbraw/zinc/26/44/67/132264467.db2.gz QVHFPCPVTSIJGB-ZHACJKMWSA-N 0 0 429.454 1.105 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000003432573 132265441 /nfs/dbraw/zinc/26/54/41/132265441.db2.gz MDPWZRLQLAJLRH-UHFFFAOYSA-N 0 0 431.514 1.985 50 0 IDAARN O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1)N1CCOCC1 ZINC000003428687 132265457 /nfs/dbraw/zinc/26/54/57/132265457.db2.gz RBCXGHQAOXVRLB-UHFFFAOYSA-N 0 0 446.529 1.153 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4cccc(Cl)c4)CC3)nc2)CC1 ZINC000003440233 132265616 /nfs/dbraw/zinc/26/56/16/132265616.db2.gz HGBOAJSVXRCVHZ-UHFFFAOYSA-N 0 0 435.981 1.998 50 0 IDAARN CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2N2CCN(c3ccccc3OC)CC2)C1 ZINC000004910967 132274616 /nfs/dbraw/zinc/27/46/16/132274616.db2.gz IFBOARVJGQBZFS-INIZCTEOSA-N 0 0 427.501 1.397 50 0 IDAARN COc1cccc(CNC(=O)COCC(=O)N2CCN(c3ccccc3OC)CC2)c1 ZINC000006954332 132280227 /nfs/dbraw/zinc/28/02/27/132280227.db2.gz WCFZDJSMPFEGDJ-UHFFFAOYSA-N 0 0 427.501 1.685 50 0 IDAARN Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CCN(c2ccccn2)CC1 ZINC000008724172 132292054 /nfs/dbraw/zinc/29/20/54/132292054.db2.gz RTWSMRUBEVPCEI-UHFFFAOYSA-N 0 0 427.509 1.558 50 0 IDAARN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 ZINC000008861006 132296641 /nfs/dbraw/zinc/29/66/41/132296641.db2.gz ILYDJJZLOIPRKB-PBHICJAKSA-N 0 0 449.554 1.689 50 0 IDAARN CCCN1C(=O)NC(=O)[C@@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCCCC[C@@H]32)C1=O ZINC000009129550 132305796 /nfs/dbraw/zinc/30/57/96/132305796.db2.gz XMLATFSWMODIJN-MWTRTKDXSA-N 0 0 437.500 1.783 50 0 IDAARN Cc1ccc(NC(=O)CSc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000009295613 132312844 /nfs/dbraw/zinc/31/28/44/132312844.db2.gz XEEPPUDINGYVIS-UHFFFAOYSA-N 0 0 430.534 1.584 50 0 IDAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccccc1 ZINC000009430354 132317070 /nfs/dbraw/zinc/31/70/70/132317070.db2.gz XSTYLZOALMUSJN-UHFFFAOYSA-N 0 0 443.525 1.903 50 0 IDAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCCCC1 ZINC000009430697 132317174 /nfs/dbraw/zinc/31/71/74/132317174.db2.gz CKEJQIGTXONKOC-UHFFFAOYSA-N 0 0 435.546 1.989 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000009487053 132319078 /nfs/dbraw/zinc/31/90/78/132319078.db2.gz ZTXOXNSWVVWMBN-UHFFFAOYSA-N 0 0 445.545 1.429 50 0 IDAARN O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000009576363 132322146 /nfs/dbraw/zinc/32/21/46/132322146.db2.gz FQWQIEKNVDYZTF-NRFANRHFSA-N 0 0 448.479 1.680 50 0 IDAARN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)N2CCN(c3ncccn3)CC2)c(C)n1C ZINC000009685124 132325818 /nfs/dbraw/zinc/32/58/18/132325818.db2.gz RVDUVTUVOFQXPB-UHFFFAOYSA-N 0 0 446.577 1.569 50 0 IDAARN O=C(Cn1cnc2sccc2c1=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009743061 132328189 /nfs/dbraw/zinc/32/81/89/132328189.db2.gz DPSWFESFZSWUOF-KRWDZBQOSA-N 0 0 440.481 1.111 50 0 IDAARN CC(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccccc21 ZINC000009832067 132329585 /nfs/dbraw/zinc/32/95/85/132329585.db2.gz RROVDQREIPTIDY-FQEVSTJZSA-N 0 0 445.497 1.460 50 0 IDAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)N2CCN(c4ccccc4)CC2)c3=O)cc1 ZINC000009857562 132330287 /nfs/dbraw/zinc/33/02/87/132330287.db2.gz BNUSTLGTLXFZSU-UHFFFAOYSA-N 0 0 429.484 1.634 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009950554 132332509 /nfs/dbraw/zinc/33/25/09/132332509.db2.gz CYHXIJBJAXGEOW-UHFFFAOYSA-N 0 0 448.520 1.121 50 0 IDAARN CC[C@H](C)NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc21 ZINC000009963440 132333079 /nfs/dbraw/zinc/33/30/79/132333079.db2.gz MVRSGMOFGINJDM-XHSDSOJGSA-N 0 0 437.562 1.993 50 0 IDAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009989916 132333590 /nfs/dbraw/zinc/33/35/90/132333590.db2.gz LFGNVQTYOOLJAQ-UHFFFAOYSA-N 0 0 438.528 1.969 50 0 IDAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000010256465 132335318 /nfs/dbraw/zinc/33/53/18/132335318.db2.gz WTASUGCYSHFMBL-UHFFFAOYSA-N 0 0 443.467 1.961 50 0 IDAARN Cc1cc(N2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)nc(C(C)C)n1 ZINC000011077518 132337172 /nfs/dbraw/zinc/33/71/72/132337172.db2.gz HCUPCGUWGVUTSP-UHFFFAOYSA-N 0 0 425.489 1.716 50 0 IDAARN O=C(NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1[nH]nc2ccccc21 ZINC000011795825 132339973 /nfs/dbraw/zinc/33/99/73/132339973.db2.gz BTWGNHBFUHHWMY-UHFFFAOYSA-N 0 0 427.530 1.835 50 0 IDAARN COC(=O)NCCc1cc(OC)c(OC)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21 ZINC000012418211 132340838 /nfs/dbraw/zinc/34/08/38/132340838.db2.gz FJGQCKTZUJGEJT-UHFFFAOYSA-N 0 0 449.485 1.750 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 ZINC000013009226 132342162 /nfs/dbraw/zinc/34/21/62/132342162.db2.gz RFKBLQOTAOXRTM-UHFFFAOYSA-N 0 0 427.490 1.132 50 0 IDAARN O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000013104887 132344556 /nfs/dbraw/zinc/34/45/56/132344556.db2.gz HFMRNEVIIFLMFB-UHFFFAOYSA-N 0 0 430.387 1.793 50 0 IDAARN O=S(=O)(c1cccs1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(c2ccc(F)cc2)CC1 ZINC000013371163 132346766 /nfs/dbraw/zinc/34/67/66/132346766.db2.gz UJQNVELIYRYOMU-IRXDYDNUSA-N 0 0 444.575 1.649 50 0 IDAARN COc1ccccc1N1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)CC1 ZINC000013517794 132349230 /nfs/dbraw/zinc/34/92/30/132349230.db2.gz CIVVNGAMRKYXQD-UHFFFAOYSA-N 0 0 432.546 1.657 50 0 IDAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3)CC2)cc1 ZINC000013693144 132353808 /nfs/dbraw/zinc/35/38/08/132353808.db2.gz FCNOBNNQDQQHPB-JOCHJYFZSA-N 0 0 449.555 1.473 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000013848525 132355129 /nfs/dbraw/zinc/35/51/29/132355129.db2.gz YOIZNZSYCIGQCK-UHFFFAOYSA-N 0 0 442.501 1.284 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 ZINC000023702972 518404132 /nfs/dbraw/zinc/40/41/32/518404132.db2.gz ZGGSERURGPZHCD-UHFFFAOYSA-N 0 0 433.530 1.472 50 0 IDAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000022770695 518728134 /nfs/dbraw/zinc/72/81/34/518728134.db2.gz YBHCSEHSBGZULZ-UHFFFAOYSA-N 0 0 431.581 1.384 50 0 IDAARN CC(C)(C)c1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2N2CCC(C(N)=O)CC2)cc1 ZINC000012381742 519045677 /nfs/dbraw/zinc/04/56/77/519045677.db2.gz WZDSCFGZVDLYGF-MSOLQXFVSA-N 0 0 442.603 1.121 50 0 IDAARN CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(C)C ZINC000012883680 519221065 /nfs/dbraw/zinc/22/10/65/519221065.db2.gz IBQRMVOFKXPEIX-XKTJCTHUSA-N 0 0 433.574 1.920 50 0 biogenic IDAARN CC(=O)COc1cc(S(=O)(=O)N2CCCC2)ccc1N1CC(=O)N(CC(C)C)C1=O ZINC000012322491 519421819 /nfs/dbraw/zinc/42/18/19/519421819.db2.gz RRVZZQCNEOSAGN-UHFFFAOYSA-N 0 0 437.518 1.864 50 0 IDAARN CC(=O)N1CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 ZINC000012777666 519566135 /nfs/dbraw/zinc/56/61/35/519566135.db2.gz IZPFRJDHBSQBTR-UHFFFAOYSA-N 0 0 425.415 1.050 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NC1CCCCCC1 ZINC000021023305 519639324 /nfs/dbraw/zinc/63/93/24/519639324.db2.gz MPAXRAVRXIMFJG-NRFANRHFSA-N 0 0 449.573 1.824 50 0 IDAARN CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCc3ccc(F)cc3)cc2C(=O)N1C ZINC000021875763 519662068 /nfs/dbraw/zinc/66/20/68/519662068.db2.gz ADYFDBUGWSZSNW-QFIPXVFZSA-N 0 0 429.496 1.959 50 0 IDAARN CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000009636798 519701652 /nfs/dbraw/zinc/70/16/52/519701652.db2.gz QHNUAZWNAPSBQV-XIYVOTBMSA-N 0 0 437.445 1.030 50 0 IDAARN CC(C)NC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000012900444 519707292 /nfs/dbraw/zinc/70/72/92/519707292.db2.gz WQTWACJGBHOKDQ-UHFFFAOYSA-N 0 0 449.511 1.720 50 0 biogenic IDAARN CC(C)NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c1=O ZINC000035377835 519709624 /nfs/dbraw/zinc/70/96/24/519709624.db2.gz SZTWXKYWVIGOKQ-UHFFFAOYSA-N 0 0 434.496 1.498 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCCc2ccccc2)cc1 ZINC000032957422 519729860 /nfs/dbraw/zinc/72/98/60/519729860.db2.gz YARPKZQKUUTOIB-UHFFFAOYSA-N 0 0 447.513 1.168 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1 ZINC000035598181 519731025 /nfs/dbraw/zinc/73/10/25/519731025.db2.gz RNGYBHBOJAOJMF-UHFFFAOYSA-N 0 0 441.517 1.440 50 0 IDAARN CC(C)CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000021137600 519734779 /nfs/dbraw/zinc/73/47/79/519734779.db2.gz YFYRPWFAHIHHBH-UHFFFAOYSA-N 0 0 440.518 1.174 50 0 IDAARN CC(C)OCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(C)C2=O ZINC000021876196 519764050 /nfs/dbraw/zinc/76/40/50/519764050.db2.gz IZFUOUINQQQVRQ-HSZRJFAPSA-N 0 0 441.532 1.589 50 0 IDAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000036762942 519798554 /nfs/dbraw/zinc/79/85/54/519798554.db2.gz NTJCLGUHVPHZST-GOSISDBHSA-N 0 0 439.545 1.827 50 0 IDAARN CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CN2C1=O ZINC000014740645 519828334 /nfs/dbraw/zinc/82/83/34/519828334.db2.gz MCBZPGVETLIBDY-VBNZEHGJSA-N 0 0 449.433 1.745 50 0 IDAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1ccc(OC)cc1)C2=O ZINC000023653253 519857551 /nfs/dbraw/zinc/85/75/51/519857551.db2.gz HMFOPAKZRDSXLT-UHFFFAOYSA-N 0 0 431.489 1.745 50 0 IDAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1=O ZINC000012691385 519888726 /nfs/dbraw/zinc/88/87/26/519888726.db2.gz AMGVXQCAQBYZQN-UHFFFAOYSA-N 0 0 436.534 1.957 50 0 IDAARN CCNC(=O)c1ccccc1-n1nnnc1[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000035178510 519900619 /nfs/dbraw/zinc/90/06/19/519900619.db2.gz JKIALLVSSFYCRZ-SFHVURJKSA-N 0 0 436.472 1.727 50 0 biogenic IDAARN CCN(C(=O)CN1C(=O)S/C(=C/c2ccccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000033548210 519911464 /nfs/dbraw/zinc/91/14/64/519911464.db2.gz NBLPYLGNOWTTPP-KNGSKEOJSA-N 0 0 438.527 1.767 50 0 IDAARN CCN(C(=O)COC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012919291 519917149 /nfs/dbraw/zinc/91/71/49/519917149.db2.gz MMWYWEYYALHKSK-UHFFFAOYSA-N 0 0 428.470 1.439 50 0 IDAARN CCN(C(=O)[C@H](C)OC(=O)c1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012818863 520041678 /nfs/dbraw/zinc/04/16/78/520041678.db2.gz WSUHYJQBKAOVNX-YJBOKZPZSA-N 0 0 436.530 1.390 50 0 IDAARN CCCCCn1c2nnc(CCC(=O)N3CCC(C(N)=O)CC3)n2c2ccsc2c1=O ZINC000035528647 520332990 /nfs/dbraw/zinc/33/29/90/520332990.db2.gz SATVCJNISNNQSE-UHFFFAOYSA-N 0 0 444.561 1.952 50 0 IDAARN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012549200 520359854 /nfs/dbraw/zinc/35/98/54/520359854.db2.gz UOPRJZJCNJXEPB-CALCHBBNSA-N 0 0 440.566 1.138 50 0 IDAARN CCOC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2cccc(C)c2C)c(=O)[nH]1 ZINC000021113612 520407143 /nfs/dbraw/zinc/40/71/43/520407143.db2.gz PBTRFNMNXQNDLY-UHFFFAOYSA-N 0 0 435.444 1.721 50 0 IDAARN CCOC(=O)C1=C(CN(C)Cc2nc3ccccc3c(=O)[nH]2)NC(=O)N[C@H]1c1ccco1 ZINC000012890141 520507986 /nfs/dbraw/zinc/50/79/86/520507986.db2.gz GROIACZJVVYKBD-IBGZPJMESA-N 0 0 437.456 1.819 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)NC(=O)N[C@@H]1CC ZINC000021672510 520513467 /nfs/dbraw/zinc/51/34/67/520513467.db2.gz NREZZBWWWOJAMU-MRXNPFEDSA-N 0 0 430.553 1.939 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000035991068 520515518 /nfs/dbraw/zinc/51/55/18/520515518.db2.gz NHAWLMUILQAAOG-HXUWFJFHSA-N 0 0 430.505 1.373 50 0 IDAARN CCOC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560314 520517536 /nfs/dbraw/zinc/51/75/36/520517536.db2.gz WTXWJHXWELLQOM-FQEVSTJZSA-N 0 0 436.516 1.778 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012751231 520518856 /nfs/dbraw/zinc/51/88/56/520518856.db2.gz PHABMQBCEAATMK-QGZVFWFLSA-N 0 0 447.469 1.794 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)NC(=O)NC1 ZINC000012862197 520521090 /nfs/dbraw/zinc/52/10/90/520521090.db2.gz ABHXXZRUZSCYGI-UHFFFAOYSA-N 0 0 432.429 1.484 50 0 IDAARN CCOC(=O)C1=C(CSc2nc(N)cc(=O)[nH]2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000012412590 520526397 /nfs/dbraw/zinc/52/63/97/520526397.db2.gz SERWYQFBOORPLN-MRXNPFEDSA-N 0 0 445.457 1.044 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000012772088 520566298 /nfs/dbraw/zinc/56/62/98/520566298.db2.gz OUHHAZOZDFMZNK-KGLIPLIRSA-N 0 0 430.457 1.405 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)CC1 ZINC000021164819 520567628 /nfs/dbraw/zinc/56/76/28/520567628.db2.gz FXCKYDHSYKOFOR-OAHLLOKOSA-N 0 0 433.534 1.478 50 0 IDAARN CCCCNC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C ZINC000021874492 520653558 /nfs/dbraw/zinc/65/35/58/520653558.db2.gz OVBGCPRNQMRJAC-SFHVURJKSA-N 0 0 425.551 1.378 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)n(C)c1 ZINC000012883503 520780889 /nfs/dbraw/zinc/78/08/89/520780889.db2.gz CTUKIJWTLJIJQJ-UHFFFAOYSA-N 0 0 436.534 1.683 50 0 IDAARN CCOC(=O)CNC(=O)CN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000035598351 520781673 /nfs/dbraw/zinc/78/16/73/520781673.db2.gz CIWRBNPMPCDDIZ-UHFFFAOYSA-N 0 0 449.555 1.882 50 0 IDAARN CCOc1cc2c(cc1NC(=O)CN1CCN(CC(=O)N3CCCCC3)CC1)O[C@H](C)C2 ZINC000022849486 520794015 /nfs/dbraw/zinc/79/40/15/520794015.db2.gz JHUJIYCHPVGLOA-GOSISDBHSA-N 0 0 444.576 1.977 50 0 IDAARN CCN(CC)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1ccnn1C)C2 ZINC000012278504 520821523 /nfs/dbraw/zinc/82/15/23/520821523.db2.gz SKKSNIYGTBKOTP-UHFFFAOYSA-N 0 0 440.547 1.497 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)n1 ZINC000023137037 520912440 /nfs/dbraw/zinc/91/24/40/520912440.db2.gz RBISRJAGNSCFTH-LBPRGKRZSA-N 0 0 438.531 1.546 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000012862822 520925812 /nfs/dbraw/zinc/92/58/12/520925812.db2.gz RHPIMWUBNYBBDX-UHFFFAOYSA-N 0 0 441.525 1.964 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000012812003 520928986 /nfs/dbraw/zinc/92/89/86/520928986.db2.gz AJNFXUNNRCENGJ-UHFFFAOYSA-N 0 0 431.536 1.120 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000077100466 520929052 /nfs/dbraw/zinc/92/90/52/520929052.db2.gz QPVOUKYWKQDZKB-UHFFFAOYSA-N 0 0 428.371 1.912 50 0 IDAARN CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012444811 520935950 /nfs/dbraw/zinc/93/59/50/520935950.db2.gz UIMVGPOIRBZHDH-UHFFFAOYSA-N 0 0 432.546 1.291 50 0 IDAARN CCOC(=O)N1CCN(C(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 ZINC000012003490 520948521 /nfs/dbraw/zinc/94/85/21/520948521.db2.gz GAUBWARTOGGEKE-UHFFFAOYSA-N 0 0 429.882 1.321 50 0 IDAARN CCOC(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000013056378 520952829 /nfs/dbraw/zinc/95/28/29/520952829.db2.gz KRLMOSFSQRXPJL-UHFFFAOYSA-N 0 0 438.550 1.574 50 0 IDAARN CCOC(=O)N1CCN([C@H](c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697837 520959826 /nfs/dbraw/zinc/95/98/26/520959826.db2.gz MUBYZFJTTKQAGW-HXUWFJFHSA-N 0 0 430.505 1.767 50 0 IDAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCSc2nnc(C)s2)cc1 ZINC000012596679 520975263 /nfs/dbraw/zinc/97/52/63/520975263.db2.gz NFYJBCYKGGVAHX-KRWDZBQOSA-N 0 0 449.602 1.844 50 0 IDAARN CC1CCN(C(=O)CN2c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)CC1 ZINC000035445376 520980304 /nfs/dbraw/zinc/98/03/04/520980304.db2.gz ORFDYVCUYFCGSW-LJQANCHMSA-N 0 0 448.589 1.901 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2=CC(c3cccc(OC)c3)=NS(=O)(=O)N2C)C1 ZINC000020467486 521101414 /nfs/dbraw/zinc/10/14/14/521101414.db2.gz JWGUUNODKPHOOY-OAHLLOKOSA-N 0 0 435.502 1.360 50 0 IDAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1S(=O)(=O)N(C)C ZINC000012557021 521131045 /nfs/dbraw/zinc/13/10/45/521131045.db2.gz AUNLKHRBGCSZEV-UHFFFAOYSA-N 0 0 427.504 1.235 50 0 IDAARN CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000008741824 521144731 /nfs/dbraw/zinc/14/47/31/521144731.db2.gz OENWNEXPHLZYGC-MQIPJXDCSA-N 0 0 438.424 1.661 50 0 IDAARN CCC(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000012922371 521185699 /nfs/dbraw/zinc/18/56/99/521185699.db2.gz POJBAUWWLJLABF-GFCCVEGCSA-N 0 0 432.340 1.197 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(Cn3nnn(C(C)(C)C)c3=S)CC2)cc1 ZINC000012852494 521196472 /nfs/dbraw/zinc/19/64/72/521196472.db2.gz VXCUYIOHOQOXCF-UHFFFAOYSA-N 0 0 440.595 1.927 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc(NC(=O)Cc3ccccc3OC)cn2)C1 ZINC000012162017 521291653 /nfs/dbraw/zinc/29/16/53/521291653.db2.gz IQCQXJPARLLPSK-KRWDZBQOSA-N 0 0 428.489 1.875 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)C1 ZINC000012601615 521294859 /nfs/dbraw/zinc/29/48/59/521294859.db2.gz SLRRFABZUSIOOD-JZXOWHBKSA-N 0 0 438.546 1.900 50 0 IDAARN CCCCn1c(CN2CCN(CCC(N)=O)CC2)cnc1S(=O)(=O)C1CCCCC1 ZINC000020775898 521361093 /nfs/dbraw/zinc/36/10/93/521361093.db2.gz FMISTCBFBOUABX-UHFFFAOYSA-N 0 0 439.626 1.783 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)CSCc2c(C)noc2C)c(=O)[nH]c1=O ZINC000012927047 521367615 /nfs/dbraw/zinc/36/76/15/521367615.db2.gz GVEYDHHTSKRHQV-UHFFFAOYSA-N 0 0 439.538 1.437 50 0 IDAARN CCCCn1c2ncn(CCOC)c2c(=O)n(C[C@@H](O)COc2ccc(CC)cc2)c1=O ZINC000012805228 521377895 /nfs/dbraw/zinc/37/78/95/521377895.db2.gz MSNQGRHMQJKPQV-GOSISDBHSA-N 0 0 444.532 1.809 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C ZINC000017920970 521382678 /nfs/dbraw/zinc/38/26/78/521382678.db2.gz VJOFIPHKADYWFZ-KKUMJFAQSA-N 0 0 430.457 1.874 50 0 IDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000015865952 521396011 /nfs/dbraw/zinc/39/60/11/521396011.db2.gz VUSFHOAUZGWYBQ-INIZCTEOSA-N 0 0 425.551 1.842 50 0 IDAARN CCN(Cc1ccncc1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC ZINC000012387819 521415470 /nfs/dbraw/zinc/41/54/70/521415470.db2.gz UGPSVSXIPULBAG-IBGZPJMESA-N 0 0 426.517 1.838 50 0 IDAARN CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C ZINC000012410739 521432507 /nfs/dbraw/zinc/43/25/07/521432507.db2.gz VUEVFIGPHPCYHW-UHFFFAOYSA-N 0 0 440.431 1.927 50 0 IDAARN CCOc1ccccc1-c1nnc(SCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)o1 ZINC000012683224 521442197 /nfs/dbraw/zinc/44/21/97/521442197.db2.gz JIYYZWYHUBUORU-NSHDSACASA-N 0 0 440.503 1.240 50 0 IDAARN CCN1C(=O)c2cc(C(=O)NCCCOC(C)C)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877511 521536854 /nfs/dbraw/zinc/53/68/54/521536854.db2.gz GDDFCMUCGCIAKR-JOCHJYFZSA-N 0 0 433.553 1.721 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)Cn2nc3c4sc(N(C)C)nc4ncn3c2=O)c1 ZINC000033309213 521541165 /nfs/dbraw/zinc/54/11/65/521541165.db2.gz HEUBKUCEQAAIPR-UHFFFAOYSA-N 0 0 441.473 1.382 50 0 IDAARN CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CS(=O)(=O)Cc1ccccc1 ZINC000012413752 521605910 /nfs/dbraw/zinc/60/59/10/521605910.db2.gz PJDCRDNYDKGVKB-UHFFFAOYSA-N 0 0 442.457 1.733 50 0 IDAARN CCOC(=O)c1noc2nc(C)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c21 ZINC000033059403 521606956 /nfs/dbraw/zinc/60/69/56/521606956.db2.gz HAQABRZEBCUBSL-UHFFFAOYSA-N 0 0 444.444 1.246 50 0 IDAARN CCOC(=O)c1noc2ncn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)c12 ZINC000021648407 521607493 /nfs/dbraw/zinc/60/74/93/521607493.db2.gz LGENPFPLHVYXOQ-UHFFFAOYSA-N 0 0 445.863 1.563 50 0 IDAARN CCOC(=O)c1noc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c12 ZINC000021648328 521607556 /nfs/dbraw/zinc/60/75/56/521607556.db2.gz ZIZLKCRURYQUKE-UHFFFAOYSA-N 0 0 445.863 1.563 50 0 IDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000012908996 521631565 /nfs/dbraw/zinc/63/15/65/521631565.db2.gz MMWGXEPVOLVULZ-UHFFFAOYSA-N 0 0 429.521 1.601 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000021568780 521631604 /nfs/dbraw/zinc/63/16/04/521631604.db2.gz MJFAYJQPJXIAAD-AWEZNQCLSA-N 0 0 435.550 1.507 50 0 IDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(c2ccccc2)CC1 ZINC000020581748 521662099 /nfs/dbraw/zinc/66/20/99/521662099.db2.gz PECMCZIDVTVTOC-UHFFFAOYSA-N 0 0 447.557 1.393 50 0 biogenic IDAARN CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 ZINC000022768380 521663320 /nfs/dbraw/zinc/66/33/20/521663320.db2.gz JMNAYTFGZWNVNO-MRXNPFEDSA-N 0 0 442.520 1.922 50 0 IDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(OC)c(OC)c1 ZINC000021887629 521663383 /nfs/dbraw/zinc/66/33/83/521663383.db2.gz MSYDKYVMZMUJQV-UHFFFAOYSA-N 0 0 438.502 1.700 50 0 biogenic IDAARN CCS(=O)(=O)c1ncc(CN2CCN(CCOc3ccccc3)CC2)n1CCOC ZINC000020451747 521694305 /nfs/dbraw/zinc/69/43/05/521694305.db2.gz ADHQSKSOTIVZEB-UHFFFAOYSA-N 0 0 436.578 1.520 50 0 IDAARN CCCN1C(=O)c2c(C(=O)NCc3ccccn3)ncn2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021919057 521702321 /nfs/dbraw/zinc/70/23/21/521702321.db2.gz ONVKZRZKEKOWFK-QHCPKHFHSA-N 0 0 440.548 1.995 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1C ZINC000022583016 521750905 /nfs/dbraw/zinc/75/09/05/521750905.db2.gz OMZMUEHETMDIKM-UHFFFAOYSA-N 0 0 441.362 1.747 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000012289086 521782403 /nfs/dbraw/zinc/78/24/03/521782403.db2.gz ZLWYKTKYQPZRHK-NVXWUHKLSA-N 0 0 441.532 1.662 50 0 IDAARN COC(=O)c1c2c(sc1NC(=O)CN1CCN([C@@H](C)C(=O)NC3CC3)CC1)CCC2 ZINC000022194575 521783950 /nfs/dbraw/zinc/78/39/50/521783950.db2.gz GCFGWHDYHVHHOG-ZDUSSCGKSA-N 0 0 434.562 1.247 50 0 IDAARN CC[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000035326187 521818452 /nfs/dbraw/zinc/81/84/52/521818452.db2.gz SMAIETFYDOXFJV-KRWDZBQOSA-N 0 0 431.928 1.367 50 0 IDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(F)c(Cl)c1)c(=O)n2C ZINC000012445473 521827604 /nfs/dbraw/zinc/82/76/04/521827604.db2.gz RRYFSQSAKYOZKV-UHFFFAOYSA-N 0 0 434.811 1.621 50 0 IDAARN CCc1ccccc1N1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000012690389 521856011 /nfs/dbraw/zinc/85/60/11/521856011.db2.gz KPUVJYRSLBRSAI-QRVBRYPASA-N 0 0 434.558 1.797 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)OC ZINC000012569450 521972678 /nfs/dbraw/zinc/97/26/78/521972678.db2.gz DDEFJHHJRVDANA-AFIMGQEJSA-N 0 0 426.535 1.802 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000012780130 521974922 /nfs/dbraw/zinc/97/49/22/521974922.db2.gz IXYDLYZYIDMMMK-UHFFFAOYSA-N 0 0 448.383 1.540 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000012558100 521982000 /nfs/dbraw/zinc/98/20/00/521982000.db2.gz DDOIFKLSQGPVAX-UHFFFAOYSA-N 0 0 433.364 1.979 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000012933801 521987319 /nfs/dbraw/zinc/98/73/19/521987319.db2.gz MJLKPHANPHQCNA-CRAIPNDOSA-N 0 0 428.532 1.313 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000012933789 521988564 /nfs/dbraw/zinc/98/85/64/521988564.db2.gz MJLKPHANPHQCNA-QAPCUYQASA-N 0 0 428.532 1.313 50 0 IDAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)COC(=O)Cc1c[nH]c2ccccc12 ZINC000022580306 522000974 /nfs/dbraw/zinc/00/09/74/522000974.db2.gz WAUWGZPJJMEIJW-UHFFFAOYSA-N 0 0 429.498 1.820 50 0 IDAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000012779730 522001793 /nfs/dbraw/zinc/00/17/93/522001793.db2.gz WCMQLRGFLHBSBR-UHFFFAOYSA-N 0 0 430.530 1.605 50 0 IDAARN COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C ZINC000012232090 522051746 /nfs/dbraw/zinc/05/17/46/522051746.db2.gz CMXXRZFHRXZDSD-UHFFFAOYSA-N 0 0 440.479 1.841 50 0 IDAARN COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CCCc1ccccc1)c(=O)n2C ZINC000012231870 522052025 /nfs/dbraw/zinc/05/20/25/522052025.db2.gz MGZGLPFLTZNIGB-UHFFFAOYSA-N 0 0 436.516 1.978 50 0 IDAARN COCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccc(F)cc2)n(C)c1=O ZINC000012232076 522054090 /nfs/dbraw/zinc/05/40/90/522054090.db2.gz YAJIQVBSRSISCF-UHFFFAOYSA-N 0 0 440.479 1.841 50 0 IDAARN COCCn1c2nnc(-c3ccc(OCc4ccccc4)cc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000016838094 522076609 /nfs/dbraw/zinc/07/66/09/522076609.db2.gz ZIHXAHBWDATRPK-UHFFFAOYSA-N 0 0 446.467 1.963 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000023820172 522092511 /nfs/dbraw/zinc/09/25/11/522092511.db2.gz MTFCDWAZCZHUJX-NRFANRHFSA-N 0 0 425.397 1.608 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000021713977 522101051 /nfs/dbraw/zinc/10/10/51/522101051.db2.gz XODWMCLJPIUXKF-UHFFFAOYSA-N 0 0 447.451 1.370 50 0 IDAARN COc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)ccc1OCc1cscn1 ZINC000040088549 522107386 /nfs/dbraw/zinc/10/73/86/522107386.db2.gz GOYGROTUKKIMHB-UHFFFAOYSA-N 0 0 425.532 1.191 50 0 IDAARN COC(=O)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)N2Cc3ccccc3C2=O)cc1 ZINC000020531495 522115806 /nfs/dbraw/zinc/11/58/06/522115806.db2.gz XBJJHBOTKIHGJC-SFHVURJKSA-N 0 0 430.482 1.871 50 0 IDAARN COC(=O)c1ccc(OC)cc1OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000021617869 522143072 /nfs/dbraw/zinc/14/30/72/522143072.db2.gz AXPBRRDWBSMHBN-UHFFFAOYSA-N 0 0 436.486 1.427 50 0 IDAARN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000015943980 522198521 /nfs/dbraw/zinc/19/85/21/522198521.db2.gz FFGMKCRDRBRSQX-RHSMWYFYSA-N 0 0 431.514 1.936 50 0 IDAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000024605500 522213515 /nfs/dbraw/zinc/21/35/15/522213515.db2.gz DPYRYRNJDMVTND-UHFFFAOYSA-N 0 0 429.498 1.428 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccn2)CC1 ZINC000021773291 522291231 /nfs/dbraw/zinc/29/12/31/522291231.db2.gz KTFIATRUOZCBDU-UHFFFAOYSA-N 0 0 431.514 1.628 50 0 IDAARN COC(=O)c1coc(Cn2cnc3c2c(=O)n(C2CC2)c(=O)n3-c2ccccc2OC)n1 ZINC000034694831 522369707 /nfs/dbraw/zinc/36/97/07/522369707.db2.gz RSWYLIRELMJBFK-UHFFFAOYSA-N 0 0 437.412 1.515 50 0 IDAARN COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc(F)c(F)c2)cc(OC)c1 ZINC000012477012 522386957 /nfs/dbraw/zinc/38/69/57/522386957.db2.gz DKZJNZRKGHZPQQ-HXUWFJFHSA-N 0 0 433.455 1.989 50 0 IDAARN COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCc2cccnc2)cc(OC)c1 ZINC000020600346 522387276 /nfs/dbraw/zinc/38/72/76/522387276.db2.gz YDCLTOWSIUHONF-NRFANRHFSA-N 0 0 426.517 1.538 50 0 IDAARN CN(CC(=O)NC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000012783190 522455307 /nfs/dbraw/zinc/45/53/07/522455307.db2.gz VDUIEQZTVNQFHD-UHFFFAOYSA-N 0 0 439.456 1.627 50 0 IDAARN COc1cc(CO[C@H]2CN(C(=O)CN3CCOC3=O)CC(=O)N(C(C)C)C2)cc(OC)c1 ZINC000014538736 522500338 /nfs/dbraw/zinc/50/03/38/522500338.db2.gz DXMHXORASWOYEC-IBGZPJMESA-N 0 0 449.504 1.120 50 0 IDAARN CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1ccoc1 ZINC000013006484 522503802 /nfs/dbraw/zinc/50/38/02/522503802.db2.gz OEVMZQVQJLZGSO-UHFFFAOYSA-N 0 0 441.893 1.665 50 0 IDAARN CCc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000035513779 522535263 /nfs/dbraw/zinc/53/52/63/522535263.db2.gz MJCHTEFMMBDGED-ZDUSSCGKSA-N 0 0 434.449 1.668 50 0 IDAARN COc1cc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccccc3)c2=O)cc(OC)c1 ZINC000021713964 522674144 /nfs/dbraw/zinc/67/41/44/522674144.db2.gz FMOQMWGRDWNPIW-UHFFFAOYSA-N 0 0 449.467 1.601 50 0 IDAARN COCC(=O)N1CCc2c(c(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)nn2C)C1 ZINC000035527180 522750196 /nfs/dbraw/zinc/75/01/96/522750196.db2.gz ZHPDGTDFRYJVHV-INIZCTEOSA-N 0 0 439.516 1.442 50 0 IDAARN COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000012686099 522857489 /nfs/dbraw/zinc/85/74/89/522857489.db2.gz FCOYYXQLJYKPIH-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN COc1cc(OC)cc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021869720 522861511 /nfs/dbraw/zinc/86/15/11/522861511.db2.gz FCZCIVMFRSOVKY-FQEVSTJZSA-N 0 0 439.534 1.130 50 0 IDAARN COc1cc(OC)cc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021869725 522862009 /nfs/dbraw/zinc/86/20/09/522862009.db2.gz FCZCIVMFRSOVKY-HXUWFJFHSA-N 0 0 439.534 1.130 50 0 IDAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc(O)cc1 ZINC000020858232 522890190 /nfs/dbraw/zinc/89/01/90/522890190.db2.gz ZYHDMWBWCMJTLL-SFHVURJKSA-N 0 0 432.454 1.656 50 0 IDAARN CC[C@H]1C(=O)NCCN1C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(CC)C1=O ZINC000014880432 522984294 /nfs/dbraw/zinc/98/42/94/522984294.db2.gz GRHKRDKPXKQWLS-YWZLYKJASA-N 0 0 439.434 1.849 50 0 IDAARN COc1cc2nc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)sc2cc1OC ZINC000012779519 523067486 /nfs/dbraw/zinc/06/74/86/523067486.db2.gz VSPZNEYXVBCFRR-UHFFFAOYSA-N 0 0 427.442 1.511 50 0 IDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)Nc3nccs3)C(C)C)c(=O)c2cc1OC ZINC000020763088 523069235 /nfs/dbraw/zinc/06/92/35/523069235.db2.gz SZLGLFOVEZRDMZ-KRWDZBQOSA-N 0 0 445.501 1.650 50 0 biogenic IDAARN COc1cc2ncn(CC(=O)NCCC(=O)Nc3ccc(O)cc3)c(=O)c2cc1OC ZINC000020760989 523070396 /nfs/dbraw/zinc/07/03/96/523070396.db2.gz CGGRIALBUCUZIN-UHFFFAOYSA-N 0 0 426.429 1.264 50 0 biogenic IDAARN CCn1c(=O)c(C(=O)CSc2nnc(C3CC3)n2C)c(N)n(Cc2ccccc2)c1=O ZINC000012679951 523102204 /nfs/dbraw/zinc/10/22/04/523102204.db2.gz OTYAVACAYMVNOL-UHFFFAOYSA-N 0 0 440.529 1.641 50 0 IDAARN CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2CN2CCOCC2)c1=O ZINC000022226001 523107142 /nfs/dbraw/zinc/10/71/42/523107142.db2.gz JUUVAJHXJUQAJX-UHFFFAOYSA-N 0 0 436.512 1.332 50 0 IDAARN CC[C@@H]1C(=O)NCCN1C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(CC)C1=O ZINC000014880433 523135747 /nfs/dbraw/zinc/13/57/47/523135747.db2.gz GRHKRDKPXKQWLS-QRWLVFNGSA-N 0 0 439.434 1.849 50 0 IDAARN COCCCN(C(=O)C1=Cc2ccccc2OC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000018085424 523193080 /nfs/dbraw/zinc/19/30/80/523193080.db2.gz QMSCSDRRGYJFOA-UHFFFAOYSA-N 0 0 428.489 1.620 50 0 IDAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000017039293 523272508 /nfs/dbraw/zinc/27/25/08/523272508.db2.gz QEMLTCVMXBCCPJ-SNVBAGLBSA-N 0 0 427.552 1.809 50 0 IDAARN CCn1c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=O ZINC000012745968 523280076 /nfs/dbraw/zinc/28/00/76/523280076.db2.gz UUTJFXFNLYWWHT-UHFFFAOYSA-N 0 0 446.504 1.495 50 0 IDAARN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000021842339 523282080 /nfs/dbraw/zinc/28/20/80/523282080.db2.gz IGAATKRTPSANQM-HUUCEWRRSA-N 0 0 446.554 1.851 50 0 IDAARN COCCCN1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@]1(C)C(=O)NCCC(C)C ZINC000021870370 523285709 /nfs/dbraw/zinc/28/57/09/523285709.db2.gz LXGCANPCWJIDNY-OAQYLSRUSA-N 0 0 439.578 1.477 50 0 IDAARN CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000035452184 523327223 /nfs/dbraw/zinc/32/72/23/523327223.db2.gz PZYYHNDIGZKLSR-UHFFFAOYSA-N 0 0 437.905 1.950 50 0 IDAARN COc1ccc(-n2nnnc2SCC(=O)N(CCC(N)=O)Cc2ccccc2)cc1 ZINC000012797345 523355762 /nfs/dbraw/zinc/35/57/62/523355762.db2.gz CQBBGZFUEYMEPY-UHFFFAOYSA-N 0 0 426.502 1.667 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2CCc2ccccc2)n(C)c1=O ZINC000012231828 523390523 /nfs/dbraw/zinc/39/05/23/523390523.db2.gz ZVDQAXXBXRTRHK-UHFFFAOYSA-N 0 0 436.472 1.115 50 0 IDAARN COc1ccc(C(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(OC)c1 ZINC000012883347 523586557 /nfs/dbraw/zinc/58/65/57/523586557.db2.gz FVPREYGDSYDQED-UHFFFAOYSA-N 0 0 432.454 1.559 50 0 IDAARN COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OC ZINC000023805898 523586913 /nfs/dbraw/zinc/58/69/13/523586913.db2.gz SRSKQGXPWLGTJO-JOCHJYFZSA-N 0 0 426.425 1.897 50 0 IDAARN CN(c1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1)S(C)(=O)=O ZINC000012567093 523635504 /nfs/dbraw/zinc/63/55/04/523635504.db2.gz DDEARYRUQWVJOM-OAQYLSRUSA-N 0 0 427.482 1.659 50 0 IDAARN COc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 ZINC000023056881 523645390 /nfs/dbraw/zinc/64/53/90/523645390.db2.gz MRGVRJFKVOQKTP-HJPURHCSSA-N 0 0 442.516 1.480 50 0 IDAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC3CC3)COC23CCN(C(=O)C2CCC2)CC3)cc1 ZINC000036018202 523675295 /nfs/dbraw/zinc/67/52/95/523675295.db2.gz HXTGUCBRSOVINV-HXUWFJFHSA-N 0 0 441.528 1.934 50 0 IDAARN COc1ccc(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)cc1S(=O)(=O)N1CCCC1 ZINC000022612101 523696744 /nfs/dbraw/zinc/69/67/44/523696744.db2.gz SNABEILNLANWIQ-HZPDHXFCSA-N 0 0 425.551 1.319 50 0 IDAARN CN1C(=O)c2cc(C(=O)NC3CCCC3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876510 523728396 /nfs/dbraw/zinc/72/83/96/523728396.db2.gz GWKVXOVCQFDIBL-QFIPXVFZSA-N 0 0 427.480 1.855 50 0 IDAARN CN1C(=O)c2cc(C(=O)NC[C@@H]3CCCO3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875374 523730582 /nfs/dbraw/zinc/73/05/82/523730582.db2.gz GYGICOFXNMTZNI-KSFYIVLOSA-N 0 0 431.537 1.475 50 0 IDAARN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000022215525 523767953 /nfs/dbraw/zinc/76/79/53/523767953.db2.gz BXGFOSFWUGMHEX-UHFFFAOYSA-N 0 0 447.517 1.907 50 0 IDAARN COc1ccc(C2=NN(C(=O)CN(C)CC(=O)N3CCOCC3)[C@H](c3ccco3)C2)cc1 ZINC000012684123 523875175 /nfs/dbraw/zinc/87/51/75/523875175.db2.gz SMONKWBWKXUYKR-FQEVSTJZSA-N 0 0 440.500 1.757 50 0 IDAARN COCCNC(=O)Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CSC2 ZINC000023139037 523901863 /nfs/dbraw/zinc/90/18/63/523901863.db2.gz DUOQUEMBTRYCIW-CQSZACIVSA-N 0 0 443.529 1.384 50 0 IDAARN COCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263184 523912253 /nfs/dbraw/zinc/91/22/53/523912253.db2.gz GBWUEWXAZNPPIX-GFCCVEGCSA-N 0 0 435.481 1.544 50 0 IDAARN COCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000035399150 523960191 /nfs/dbraw/zinc/96/01/91/523960191.db2.gz WKYHLBNOOPMIEE-UHFFFAOYSA-N 0 0 437.562 1.683 50 0 IDAARN COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000012030320 523970696 /nfs/dbraw/zinc/97/06/96/523970696.db2.gz QXUWKAGZQAZOEB-IBGZPJMESA-N 0 0 437.539 1.629 50 0 IDAARN CN1CC[C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@H]1c1ccc(Cl)cc1 ZINC000089745391 523986777 /nfs/dbraw/zinc/98/67/77/523986777.db2.gz SMMMDIMMLNYZRL-DLBZAZTESA-N 0 0 427.892 1.461 50 0 IDAARN COc1ccc(CN2CCCN(CC(=O)NCc3cccc(OC)c3)S2(=O)=O)cc1 ZINC000035447224 524026998 /nfs/dbraw/zinc/02/69/98/524026998.db2.gz ZDTZLTXWEVUVCW-UHFFFAOYSA-N 0 0 433.530 1.773 50 0 IDAARN COc1ccc(CNC(=O)C2=CC(c3cc(OC)ccc3OC)=NS(=O)(=O)N2C)cc1 ZINC000020219959 524045856 /nfs/dbraw/zinc/04/58/56/524045856.db2.gz GERPIUQNSHSHLT-UHFFFAOYSA-N 0 0 445.497 1.892 50 0 IDAARN COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC ZINC000036021677 524051427 /nfs/dbraw/zinc/05/14/27/524051427.db2.gz OLOFNHUGRWJZMI-UHFFFAOYSA-N 0 0 439.559 1.388 50 0 IDAARN COc1ccc(CNS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)cc1 ZINC000011904731 524073932 /nfs/dbraw/zinc/07/39/32/524073932.db2.gz XYROFLSXJMGYIE-UHFFFAOYSA-N 0 0 438.527 1.857 50 0 IDAARN Cc1ccc(C)c(Cn2c(CN3C[C@H](C)O[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000020235275 524111533 /nfs/dbraw/zinc/11/15/33/524111533.db2.gz BOKBJZBKPBOLMX-IRXDYDNUSA-N 0 0 425.533 1.708 50 0 IDAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4ccc(C)c(F)c4)CN3C2=O)cc1 ZINC000014731529 524142997 /nfs/dbraw/zinc/14/29/97/524142997.db2.gz MISUKPMOCCWIDG-VDGAXYAQSA-N 0 0 425.460 1.583 50 0 IDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3cc(=O)n4ccsc4n3)CC1)C2=O ZINC000022796770 524152210 /nfs/dbraw/zinc/15/22/10/524152210.db2.gz STWAZPKXIFKVEL-QVKFZJNVSA-N 0 0 444.561 1.332 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O ZINC000012517466 524180987 /nfs/dbraw/zinc/18/09/87/524180987.db2.gz ARDNVYDPDIAYKS-HXOBKFHXSA-N 0 0 443.548 1.852 50 0 IDAARN COc1cccc([C@]2(C)NC(=O)N(NC(=O)COc3ccc4ccc(=O)oc4c3)C2=O)c1 ZINC000023845131 524191851 /nfs/dbraw/zinc/19/18/51/524191851.db2.gz MBKDVUQFXVVLPL-QFIPXVFZSA-N 0 0 437.408 1.679 50 0 IDAARN COc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000012444763 524197653 /nfs/dbraw/zinc/19/76/53/524197653.db2.gz NPYZMLAOROPEQL-UHFFFAOYSA-N 0 0 438.937 1.625 50 0 IDAARN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022239311 524210165 /nfs/dbraw/zinc/21/01/65/524210165.db2.gz JVDGIANBTLZBSZ-INIZCTEOSA-N 0 0 442.491 1.815 50 0 IDAARN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847837 524260001 /nfs/dbraw/zinc/26/00/01/524260001.db2.gz AJEFRKXBPKDVAQ-HNNXBMFYSA-N 0 0 446.529 1.208 50 0 IDAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnnn2C2CC2)CC1 ZINC000035325871 524275453 /nfs/dbraw/zinc/27/54/53/524275453.db2.gz BLDPCZXPNHAGHE-UHFFFAOYSA-N 0 0 429.550 1.500 50 0 IDAARN COc1ccc(N(C[C@H](O)C[NH2+][C@H](C)C(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000035590780 524366320 /nfs/dbraw/zinc/36/63/20/524366320.db2.gz XIJYLMXKGISIIK-CZUORRHYSA-N 0 0 442.921 1.968 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021528373 524390676 /nfs/dbraw/zinc/39/06/76/524390676.db2.gz RXZGVUINALIWSN-NRFANRHFSA-N 0 0 437.562 1.901 50 0 IDAARN Cc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528772 524428286 /nfs/dbraw/zinc/42/82/86/524428286.db2.gz MHNWYBMZNYIQPH-JOCHJYFZSA-N 0 0 429.542 1.674 50 0 IDAARN COc1ccccc1CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021528799 524444637 /nfs/dbraw/zinc/44/46/37/524444637.db2.gz YVFSTEYTCPWVNL-QFIPXVFZSA-N 0 0 445.541 1.374 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(OC)c1 ZINC000021108692 524490445 /nfs/dbraw/zinc/49/04/45/524490445.db2.gz KCAMBTMSOPMVME-UHFFFAOYSA-N 0 0 435.458 1.294 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1Cl ZINC000021108768 524490873 /nfs/dbraw/zinc/49/08/73/524490873.db2.gz PLARUPDGVQXBLJ-UHFFFAOYSA-N 0 0 439.877 1.939 50 0 IDAARN COc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000020928028 524534965 /nfs/dbraw/zinc/53/49/65/524534965.db2.gz PQNMRSFVQQJZQR-NRFANRHFSA-N 0 0 437.562 1.901 50 0 IDAARN Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1C ZINC000022239971 524543350 /nfs/dbraw/zinc/54/33/50/524543350.db2.gz BIHYGZLMUCSCOQ-UHFFFAOYSA-N 0 0 438.532 1.388 50 0 IDAARN COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000035597422 524551130 /nfs/dbraw/zinc/55/11/30/524551130.db2.gz XLKBRQCZLXGBFN-UHFFFAOYSA-N 0 0 435.502 1.272 50 0 IDAARN COc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)CC1 ZINC000011859497 524552621 /nfs/dbraw/zinc/55/26/21/524552621.db2.gz YVKLOEARMIKXCG-INIZCTEOSA-N 0 0 443.525 1.970 50 0 IDAARN Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000012445060 524558270 /nfs/dbraw/zinc/55/82/70/524558270.db2.gz QWSKNXSOIXLPKA-UHFFFAOYSA-N 0 0 431.514 1.606 50 0 IDAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCc3ccccn3)n2)CC1 ZINC000035375317 524563774 /nfs/dbraw/zinc/56/37/74/524563774.db2.gz XCLYJYAXSJXKKE-UHFFFAOYSA-N 0 0 434.500 1.290 50 0 IDAARN COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)[C@@H]2COc3ccccc3O2)CC1=O ZINC000020744716 524580893 /nfs/dbraw/zinc/58/08/93/524580893.db2.gz KPPBOEUHMYQDKK-QRWLVFNGSA-N 0 0 439.468 1.121 50 0 IDAARN COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000023322139 524600631 /nfs/dbraw/zinc/60/06/31/524600631.db2.gz XQCMKMSEIUEONH-VBKZILBWSA-N 0 0 448.497 1.883 50 0 IDAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1OC ZINC000012030646 524643873 /nfs/dbraw/zinc/64/38/73/524643873.db2.gz YLNQTEJYIDIKLM-INIZCTEOSA-N 0 0 439.511 1.917 50 0 IDAARN C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C[C@H](C)O1 ZINC000020533327 524647191 /nfs/dbraw/zinc/64/71/91/524647191.db2.gz KKAINDYLNWPYSC-KBPBESRZSA-N 0 0 431.924 1.745 50 0 IDAARN COc1ccc(NC(=O)c2cn(CCNC(=O)c3cccc(OC)c3OC)nn2)cc1 ZINC000014975969 524651561 /nfs/dbraw/zinc/65/15/61/524651561.db2.gz VIYXJBUDMZOZIW-UHFFFAOYSA-N 0 0 425.445 1.986 50 0 IDAARN Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000012422806 524716476 /nfs/dbraw/zinc/71/64/76/524716476.db2.gz JYQGPPLLZRFKMJ-UHFFFAOYSA-N 0 0 431.558 1.638 50 0 IDAARN Cc1ccc(Cl)cc1N1CCN(CCNS(=O)(=O)c2csc(C(N)=O)c2)CC1 ZINC000020981510 524734238 /nfs/dbraw/zinc/73/42/38/524734238.db2.gz VMMLMOIEKXCNRB-UHFFFAOYSA-N 0 0 442.994 1.909 50 0 IDAARN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)c1 ZINC000012322894 524864864 /nfs/dbraw/zinc/86/48/64/524864864.db2.gz KYDJFKLAGUTNJT-ZDUSSCGKSA-N 0 0 427.461 1.842 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2csc(C)n2)c1 ZINC000033282285 524873836 /nfs/dbraw/zinc/87/38/36/524873836.db2.gz PWRDHSFZVWCTQS-MRXNPFEDSA-N 0 0 439.559 1.981 50 0 IDAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 ZINC000012779004 524877542 /nfs/dbraw/zinc/87/75/42/524877542.db2.gz SXFKDXCDPNNWBN-HUUCEWRRSA-N 0 0 428.489 1.739 50 0 IDAARN C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)C(=O)[O-] ZINC000012884188 524901161 /nfs/dbraw/zinc/90/11/61/524901161.db2.gz MLTOPVZAUXVNSA-UWJYYQICSA-N 0 0 435.524 1.851 50 0 biogenic IDAARN Cc1cc(F)ccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021528814 524982081 /nfs/dbraw/zinc/98/20/81/524982081.db2.gz YAVZBYSXYRIVLT-OAQYLSRUSA-N 0 0 433.505 1.817 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000012804202 524982861 /nfs/dbraw/zinc/98/28/61/524982861.db2.gz LZQXPEKVQAUEAK-CABCVRRESA-N 0 0 445.497 1.566 50 0 IDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(F)cc2)cc1 ZINC000016217236 525008334 /nfs/dbraw/zinc/00/83/34/525008334.db2.gz YXSRMCVRPVXEAG-UHFFFAOYSA-N 0 0 449.504 1.754 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C[C@@H](C)O1 ZINC000020533326 525030046 /nfs/dbraw/zinc/03/00/46/525030046.db2.gz KKAINDYLNWPYSC-ZIAGYGMSSA-N 0 0 431.924 1.745 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C[C@@H](C)O1 ZINC000020503614 525031145 /nfs/dbraw/zinc/03/11/45/525031145.db2.gz LUMWJJMBXPLGOI-IAGOWNOFSA-N 0 0 425.533 1.676 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)cc1 ZINC000012777155 525035575 /nfs/dbraw/zinc/03/55/75/525035575.db2.gz BFWUGRBUTCHKFE-UHFFFAOYSA-N 0 0 446.529 1.028 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCc3ccccc3)CC2)cc1 ZINC000022733011 525036381 /nfs/dbraw/zinc/03/63/81/525036381.db2.gz XWFSSOSKWWWTMN-UHFFFAOYSA-N 0 0 431.558 1.751 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000035240682 525036843 /nfs/dbraw/zinc/03/68/43/525036843.db2.gz YLHYANYZMMTHKC-UHFFFAOYSA-N 0 0 447.513 1.160 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000015881617 525038127 /nfs/dbraw/zinc/03/81/27/525038127.db2.gz YTMXDAYWZWPEIH-GHXNOFRVSA-N 0 0 429.542 1.831 50 0 biogenic IDAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(=O)NCC(=O)N3)c(C)c1 ZINC000021526252 525046325 /nfs/dbraw/zinc/04/63/25/525046325.db2.gz OJGWAPAFBMFREN-UHFFFAOYSA-N 0 0 430.486 1.245 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3n[nH]c(=O)c4ccccc43)cc2)C[C@H](C)O1 ZINC000015916129 525052171 /nfs/dbraw/zinc/05/21/71/525052171.db2.gz MZZSFLRFQKNIMX-OKILXGFUSA-N 0 0 442.497 1.973 50 0 IDAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000022987600 525057346 /nfs/dbraw/zinc/05/73/46/525057346.db2.gz YHEZQSPUICOJFA-UHFFFAOYSA-N 0 0 448.469 1.400 50 0 IDAARN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCNC(=O)c2ccccc2)cc1 ZINC000012821166 525074045 /nfs/dbraw/zinc/07/40/45/525074045.db2.gz LTLBYJAMCYAHOU-HXUWFJFHSA-N 0 0 447.557 1.934 50 0 IDAARN C[C@H]1[C@@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000015022832 525095368 /nfs/dbraw/zinc/09/53/68/525095368.db2.gz JMCAFHDDCDQCDJ-LIRRHRJNSA-N 0 0 429.498 1.388 50 0 IDAARN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1ccc2c(c1)OCCO2 ZINC000023349064 525126529 /nfs/dbraw/zinc/12/65/29/525126529.db2.gz HSXLJIMPXIGHJI-GFCCVEGCSA-N 0 0 443.485 1.764 50 0 IDAARN CS(=O)(=O)CC[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O ZINC000020531439 525130550 /nfs/dbraw/zinc/13/05/50/525130550.db2.gz RHCSTVMQDHONJR-KRWDZBQOSA-N 0 0 430.482 1.491 50 0 IDAARN CS(=O)(=O)CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1Cc2ccccc2C1=O ZINC000020531464 525132970 /nfs/dbraw/zinc/13/29/70/525132970.db2.gz QONPZFHQOYLGEG-QGZVFWFLSA-N 0 0 430.482 1.856 50 0 IDAARN Cc1cc(NC(=O)CSc2nc(C3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)no1 ZINC000020604985 525157502 /nfs/dbraw/zinc/15/75/02/525157502.db2.gz WWPFUBCRRCYIOL-UHFFFAOYSA-N 0 0 430.490 1.712 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014310971 525159859 /nfs/dbraw/zinc/15/98/59/525159859.db2.gz PPEYJGCWPGUOGN-UHFFFAOYSA-N 0 0 428.864 1.954 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 ZINC000042379841 525160172 /nfs/dbraw/zinc/16/01/72/525160172.db2.gz APVHNSHSCKHLPO-UHFFFAOYSA-N 0 0 438.937 1.352 50 0 IDAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3c[nH]cn3)cc2Cl)CC1 ZINC000012306717 525163956 /nfs/dbraw/zinc/16/39/56/525163956.db2.gz XTIZNIHMLVRBGR-UHFFFAOYSA-N 0 0 426.926 1.838 50 0 IDAARN C[C@]1(C(=O)NCc2ccccc2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1C1CC1 ZINC000021528666 525212023 /nfs/dbraw/zinc/21/20/23/525212023.db2.gz YDXDNTSVWHPIDS-JOCHJYFZSA-N 0 0 427.526 1.757 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000020687750 525213495 /nfs/dbraw/zinc/21/34/95/525213495.db2.gz BMWGTLBVDFGIJA-JFIYKMOQSA-N 0 0 437.562 1.966 50 0 IDAARN CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012863808 525265034 /nfs/dbraw/zinc/26/50/34/525265034.db2.gz MXDOVNGTWHYGCZ-CYBMUJFWSA-N 0 0 449.597 1.530 50 0 IDAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1 ZINC000012892526 525283847 /nfs/dbraw/zinc/28/38/47/525283847.db2.gz UWRQOIVBGOJEGZ-OAHLLOKOSA-N 0 0 439.877 1.290 50 0 IDAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)n1 ZINC000012892532 525283977 /nfs/dbraw/zinc/28/39/77/525283977.db2.gz UWRQOIVBGOJEGZ-HNNXBMFYSA-N 0 0 439.877 1.290 50 0 IDAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000012753684 525287155 /nfs/dbraw/zinc/28/71/55/525287155.db2.gz PXJRMHMZAQJFNK-ZDUSSCGKSA-N 0 0 432.527 1.160 50 0 IDAARN C[C@]1(NC(=O)CN(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)CCS(=O)(=O)C1 ZINC000253532374 525290283 /nfs/dbraw/zinc/29/02/83/525290283.db2.gz JKIXUWUCTPKEMR-VFNWGFHPSA-N 0 0 448.545 1.010 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c2c(nc1N1CCC(C)CC1)n(C)c(=O)n(C)c2=O ZINC000012232424 525309781 /nfs/dbraw/zinc/30/97/81/525309781.db2.gz GUTZDAMDSLYGJN-KRWDZBQOSA-N 0 0 441.532 1.418 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)CCn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1 ZINC000004763871 534847417 /nfs/dbraw/zinc/84/74/17/534847417.db2.gz XQQYSSDOURLZGM-UHFFFAOYSA-N 0 0 426.498 1.693 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O ZINC000012554132 525318758 /nfs/dbraw/zinc/31/87/58/525318758.db2.gz LQQYWKXDYKBQCQ-OAQYLSRUSA-N 0 0 433.428 1.893 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CN2CCN(C(=O)C3CC3)CC2)C1=O ZINC000013113361 525319510 /nfs/dbraw/zinc/31/95/10/525319510.db2.gz VLDBPLLCUPURAB-JOCHJYFZSA-N 0 0 428.489 1.127 50 0 IDAARN C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000012859792 525334076 /nfs/dbraw/zinc/33/40/76/525334076.db2.gz JIXKAFRSHMGOKM-HXUWFJFHSA-N 0 0 446.485 1.470 50 0 IDAARN C[C@]1(c2ccco2)NC(=O)N(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000009666547 525334110 /nfs/dbraw/zinc/33/41/10/525334110.db2.gz VOJFAEVNTVSPJB-FOIQADDNSA-N 0 0 431.470 1.267 50 0 IDAARN Cc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012784106 525351638 /nfs/dbraw/zinc/35/16/38/525351638.db2.gz IGXXVUOUYOJWCQ-OAHLLOKOSA-N 0 0 432.546 1.711 50 0 IDAARN COc1ccc([C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N2CCOCC2)cc1 ZINC000012904616 525355413 /nfs/dbraw/zinc/35/54/13/525355413.db2.gz IXPSZAXBUQXQSB-SFHVURJKSA-N 0 0 430.505 1.049 50 0 IDAARN C[C@@H]1C[C@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000021146637 525371369 /nfs/dbraw/zinc/37/13/69/525371369.db2.gz CPBMXHBJWPMQLI-TXEJJXNPSA-N 0 0 429.926 1.796 50 0 IDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2)C1 ZINC000012777304 525387872 /nfs/dbraw/zinc/38/78/72/525387872.db2.gz IFAMVFUIUOFHOY-GASCZTMLSA-N 0 0 449.529 1.108 50 0 IDAARN Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)N2CCc3ccccc32)o1 ZINC000035597136 525405198 /nfs/dbraw/zinc/40/51/98/525405198.db2.gz APPFAMJXVGSDBF-UHFFFAOYSA-N 0 0 427.486 1.232 50 0 IDAARN Cc1ccc(OCCN(C)C(=O)CCn2c3ccc(S(N)(=O)=O)cc3oc2=O)cc1 ZINC000012764578 525415327 /nfs/dbraw/zinc/41/53/27/525415327.db2.gz JBOYWPMBMBLTOA-UHFFFAOYSA-N 0 0 433.486 1.478 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 ZINC000012806336 525539691 /nfs/dbraw/zinc/53/96/91/525539691.db2.gz MLKYJZWKFHCZHI-JOCHJYFZSA-N 0 0 428.510 2.000 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3c4ccccc4n(C)c3=O)CC2)cc1 ZINC000012868367 525539810 /nfs/dbraw/zinc/53/98/10/525539810.db2.gz BRRRYVIVKRNFSL-UHFFFAOYSA-N 0 0 442.541 1.572 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CN3c4ccc(F)cc4C(=O)C3=O)CC2)c(C)c1 ZINC000012863555 525544759 /nfs/dbraw/zinc/54/47/59/525544759.db2.gz IBDDABPDQRZFOM-UHFFFAOYSA-N 0 0 431.489 1.936 50 0 IDAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCCCN1CCOCC1 ZINC000020609987 525610916 /nfs/dbraw/zinc/61/09/16/525610916.db2.gz ZOTBCWGYVUOQSL-WIYYLYMNSA-N 0 0 449.573 1.891 50 0 biogenic IDAARN Cc1cc2c(cc1S(=O)(=O)NCCN1CCN(c3ccccc3F)CC1)OCC(=O)N2 ZINC000020491784 525615547 /nfs/dbraw/zinc/61/55/47/525615547.db2.gz NVLLFMALDUCDQV-UHFFFAOYSA-N 0 0 448.520 1.566 50 0 IDAARN Cc1c(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000040089309 525615671 /nfs/dbraw/zinc/61/56/71/525615671.db2.gz DDEKVUUHMWEMOK-QWRGUYRKSA-N 0 0 426.564 1.785 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1 ZINC000017043057 525630172 /nfs/dbraw/zinc/63/01/72/525630172.db2.gz VZAXWMXXCNKUEC-MAUKXSAKSA-N 0 0 436.555 1.983 50 0 IDAARN COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)sc2c1 ZINC000020994411 525672652 /nfs/dbraw/zinc/67/26/52/525672652.db2.gz FDQNANZMPGQKLB-UHFFFAOYSA-N 0 0 448.482 1.999 50 0 IDAARN COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCN(CCO)CC4)c3C3CC3)n2)c1 ZINC000020782277 525715324 /nfs/dbraw/zinc/71/53/24/525715324.db2.gz PNHKOEOVXLFJHQ-UHFFFAOYSA-N 0 0 448.527 1.965 50 0 IDAARN COc1cccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCN(C(C)=O)C4)c1 ZINC000013362779 525749654 /nfs/dbraw/zinc/74/96/54/525749654.db2.gz AHXARKWHXGMUAD-UHFFFAOYSA-N 0 0 444.538 1.938 50 0 IDAARN C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCC1 ZINC000020822212 525847923 /nfs/dbraw/zinc/84/79/23/525847923.db2.gz GORPBNYZKORCSS-MEBBXXQBSA-N 0 0 439.317 1.187 50 0 IDAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)NC1CC1 ZINC000012912381 525880121 /nfs/dbraw/zinc/88/01/21/525880121.db2.gz WJKBVVBSBCKWGF-ZDUSSCGKSA-N 0 0 438.502 1.069 50 0 IDAARN C[C@H](OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC(C)(C)C ZINC000036757987 525880876 /nfs/dbraw/zinc/88/08/76/525880876.db2.gz JJBPNGLWEKPSKU-ZDUSSCGKSA-N 0 0 428.507 1.363 50 0 IDAARN C[C@H](OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000023818822 525882865 /nfs/dbraw/zinc/88/28/65/525882865.db2.gz RHSJNJKMJYRHSV-XMHCIUCPSA-N 0 0 439.424 1.753 50 0 IDAARN C[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CCCC1 ZINC000021327099 525885445 /nfs/dbraw/zinc/88/54/45/525885445.db2.gz OUKIDJPAOUCEOU-ZDUSSCGKSA-N 0 0 426.491 1.117 50 0 IDAARN C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023055066 525887230 /nfs/dbraw/zinc/88/72/30/525887230.db2.gz WSRCNHNFYBLVAN-DARAHFNDSA-N 0 0 430.457 1.892 50 0 IDAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1sccc1C(N)=O ZINC000012898545 525893094 /nfs/dbraw/zinc/89/30/94/525893094.db2.gz HUICZQNJIVVVSQ-JTQLQIEISA-N 0 0 437.499 1.472 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000012633051 525904046 /nfs/dbraw/zinc/90/40/46/525904046.db2.gz CBFCFPUHLDEFEK-NRFANRHFSA-N 0 0 446.504 1.557 50 0 IDAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000012859784 525905469 /nfs/dbraw/zinc/90/54/69/525905469.db2.gz JIXKAFRSHMGOKM-FQEVSTJZSA-N 0 0 446.485 1.470 50 0 IDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@@H](CO)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968280 525932150 /nfs/dbraw/zinc/93/21/50/525932150.db2.gz LPHFXVHCLFLXOK-FXKZBUDASA-N 0 0 439.899 1.604 50 0 biogenic IDAARN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022787373 525944633 /nfs/dbraw/zinc/94/46/33/525944633.db2.gz QRCJAQPSJVAUKS-NQIIRXRSSA-N 0 0 429.586 1.991 50 0 IDAARN CSc1ccc(C(=O)CCC(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000022531944 525952068 /nfs/dbraw/zinc/95/20/68/525952068.db2.gz NWMQZEKJAGMCIB-UHFFFAOYSA-N 0 0 444.513 1.752 50 0 IDAARN COc1cccc(CNC(=O)CNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)c1 ZINC000021782218 525972068 /nfs/dbraw/zinc/97/20/68/525972068.db2.gz PPVMGUVNRMOXGC-DEOSSOPVSA-N 0 0 434.496 1.927 50 0 IDAARN CSc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021528364 526106755 /nfs/dbraw/zinc/10/67/55/526106755.db2.gz FEKRSNNZUZWTPZ-IBGZPJMESA-N 0 0 425.576 1.834 50 0 IDAARN Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000012123580 526119215 /nfs/dbraw/zinc/11/92/15/526119215.db2.gz LHAXMSBYJWZXNK-UHFFFAOYSA-N 0 0 442.501 1.644 50 0 IDAARN COc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021528370 526137713 /nfs/dbraw/zinc/13/77/13/526137713.db2.gz JDNVKINTFURXPS-NRFANRHFSA-N 0 0 437.562 1.901 50 0 IDAARN COc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000021529026 526139003 /nfs/dbraw/zinc/13/90/03/526139003.db2.gz SSKMRDQXSUOPNA-QFIPXVFZSA-N 0 0 445.541 1.687 50 0 IDAARN COc1cccc(N2CCN(C(=O)Cn3cnc4cc(OC)c(OC)cc4c3=O)CC2)c1 ZINC000020745332 526148128 /nfs/dbraw/zinc/14/81/28/526148128.db2.gz ITVOIRFSLLECAP-UHFFFAOYSA-N 0 0 438.484 1.771 50 0 IDAARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012599239 526151576 /nfs/dbraw/zinc/15/15/76/526151576.db2.gz MQAONDYLTZKIMR-QVKFZJNVSA-N 0 0 439.468 1.727 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)CN1CCN(C(=O)N2CCOCC2)CC1 ZINC000023669605 526169365 /nfs/dbraw/zinc/16/93/65/526169365.db2.gz AFBKLIYHKDRWST-UHFFFAOYSA-N 0 0 425.327 1.766 50 0 IDAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000021146628 526173713 /nfs/dbraw/zinc/17/37/13/526173713.db2.gz OZZVEBSZCOAKCQ-UHFFFAOYSA-N 0 0 439.877 1.939 50 0 IDAARN Cc1cc(C(=O)CN(C)CC(=O)N2CCOCC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000012819645 526203354 /nfs/dbraw/zinc/20/33/54/526203354.db2.gz QPYCDPRXBSTXNO-IBGZPJMESA-N 0 0 441.528 1.918 50 0 IDAARN Cc1ccc2c(c1)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000035363885 526213304 /nfs/dbraw/zinc/21/33/04/526213304.db2.gz FJRWKXNZDUURGR-SIYXTPNISA-N 0 0 449.463 1.025 50 0 biogenic IDAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000012567838 526216288 /nfs/dbraw/zinc/21/62/88/526216288.db2.gz YGYRXVFNZUVUDK-LBPRGKRZSA-N 0 0 426.454 1.803 50 0 IDAARN C[C@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)nn2C ZINC000035597806 526216467 /nfs/dbraw/zinc/21/64/67/526216467.db2.gz NSMZOEJODXQQAY-LBPRGKRZSA-N 0 0 433.490 1.139 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363870 526221637 /nfs/dbraw/zinc/22/16/37/526221637.db2.gz OJLSSLQLXZDJDV-LCKXGBKKSA-N 0 0 433.508 1.647 50 0 biogenic IDAARN CSc1nn(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=S)s1 ZINC000023195143 526225918 /nfs/dbraw/zinc/22/59/18/526225918.db2.gz LCBGTPITWLLTPB-TXEJJXNPSA-N 0 0 439.654 1.325 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)s1 ZINC000021940421 526237031 /nfs/dbraw/zinc/23/70/31/526237031.db2.gz YHCCPSPLEFJEFF-UHFFFAOYSA-N 0 0 428.470 1.357 50 0 IDAARN C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(CC(=O)Nc3cccc(F)c3)CC1)C2=O ZINC000022788829 526263378 /nfs/dbraw/zinc/26/33/78/526263378.db2.gz BEIIGFGYNKQSDK-AOMKIAJQSA-N 0 0 431.512 1.840 50 0 IDAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(n3c4ccccc4[nH]c3=O)CC1)C2=O ZINC000012592305 526263423 /nfs/dbraw/zinc/26/34/23/526263423.db2.gz FFCMNLAYBIJKFU-WNSKOXEYSA-N 0 0 439.516 1.994 50 0 IDAARN C[C@H]1CCCC[C@]12NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O ZINC000012517467 526263590 /nfs/dbraw/zinc/26/35/90/526263590.db2.gz ARDNVYDPDIAYKS-SBUREZEXSA-N 0 0 443.548 1.852 50 0 IDAARN O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1F ZINC000012164613 526268264 /nfs/dbraw/zinc/26/82/64/526268264.db2.gz BEWTYNLBJHFHPX-UHFFFAOYSA-N 0 0 425.461 1.027 50 0 IDAARN O=C(C1CC1)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000035926277 526286429 /nfs/dbraw/zinc/28/64/29/526286429.db2.gz WUXYDXGBFQBDBE-UHFFFAOYSA-N 0 0 440.523 1.290 50 0 IDAARN O=C(CC1(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCCC1)NC1CC1 ZINC000012779436 526325934 /nfs/dbraw/zinc/32/59/34/526325934.db2.gz CQQIWEOHQWEPIL-UHFFFAOYSA-N 0 0 435.546 1.875 50 0 IDAARN O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000020734707 526328116 /nfs/dbraw/zinc/32/81/16/526328116.db2.gz KCAUDOHWXOPHIW-QZTJIDSGSA-N 0 0 434.496 1.325 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1c(F)cccc1F ZINC000012422827 526367634 /nfs/dbraw/zinc/36/76/34/526367634.db2.gz NETZHTHSUAFGDF-UHFFFAOYSA-N 0 0 437.512 1.885 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1c(F)cccc1Cl ZINC000012444943 526368014 /nfs/dbraw/zinc/36/80/14/526368014.db2.gz HQDZLXPRQSPLSH-UHFFFAOYSA-N 0 0 427.889 1.151 50 0 IDAARN O=C(CCC(=O)N1CCCCC1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000035398967 526378347 /nfs/dbraw/zinc/37/83/47/526378347.db2.gz RVKFGKONZSXOSR-UHFFFAOYSA-N 0 0 435.546 1.389 50 0 IDAARN O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000012818927 526435775 /nfs/dbraw/zinc/43/57/75/526435775.db2.gz PZBABCQIRBFLAJ-IBGZPJMESA-N 0 0 429.498 1.781 50 0 IDAARN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(N2CCOCC2)nc1 ZINC000022701203 526443080 /nfs/dbraw/zinc/44/30/80/526443080.db2.gz NHGZUOCHALYMON-UHFFFAOYSA-N 0 0 436.509 1.432 50 0 IDAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)N1CCN(CCc2ccccc2)CC1 ZINC000012877004 526443530 /nfs/dbraw/zinc/44/35/30/526443530.db2.gz ZGGUPUIXJQPOMV-UHFFFAOYSA-N 0 0 440.569 1.892 50 0 IDAARN O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000021940545 526463336 /nfs/dbraw/zinc/46/33/36/526463336.db2.gz ZQHPKJDKFISGNV-IBGZPJMESA-N 0 0 431.489 1.854 50 0 IDAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012683702 526480169 /nfs/dbraw/zinc/48/01/69/526480169.db2.gz PHGZNORMSNYQJH-UHFFFAOYSA-N 0 0 434.518 1.664 50 0 IDAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012797293 526481557 /nfs/dbraw/zinc/48/15/57/526481557.db2.gz JOQRVAJXADVMSN-ROUUACIJSA-N 0 0 433.530 1.975 50 0 IDAARN O=C([C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2O1)N1CCCCC1 ZINC000012781315 526489449 /nfs/dbraw/zinc/48/94/49/526489449.db2.gz ZCWFMFXGEBGMKM-IBGZPJMESA-N 0 0 442.497 1.825 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N1CCN(c2ccccc2F)CC1 ZINC000020994471 526511634 /nfs/dbraw/zinc/51/16/34/526511634.db2.gz VLMSHKUKEOLPCF-UHFFFAOYSA-N 0 0 448.476 1.277 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)NCc1ccc2c(c1)OCO2 ZINC000020578847 526512483 /nfs/dbraw/zinc/51/24/83/526512483.db2.gz XUUFTOLPZALOJW-UHFFFAOYSA-N 0 0 445.497 1.675 50 0 IDAARN O=C([C@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCC2(CC1)NC(=O)NC2=O ZINC000012737279 526524507 /nfs/dbraw/zinc/52/45/07/526524507.db2.gz JKGFAZAHTAVYSY-NSHDSACASA-N 0 0 435.278 1.003 50 0 IDAARN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012734823 526527396 /nfs/dbraw/zinc/52/73/96/526527396.db2.gz OGONTRAAZYXYTR-HNNXBMFYSA-N 0 0 435.452 1.924 50 0 IDAARN O=C([C@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCC(CCn2cccn2)CC1 ZINC000020781337 526532095 /nfs/dbraw/zinc/53/20/95/526532095.db2.gz SCWYGSCJGSHQLY-NRFANRHFSA-N 0 0 431.581 1.473 50 0 IDAARN O=C([C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCCN(Cc2ccncc2)CC1 ZINC000020599765 526532601 /nfs/dbraw/zinc/53/26/01/526532601.db2.gz CUVJRNYNJFGHPV-NRFANRHFSA-N 0 0 441.576 1.367 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000013128276 526551849 /nfs/dbraw/zinc/55/18/49/526551849.db2.gz MJDPRGSNCLNSOF-UHFFFAOYSA-N 0 0 445.545 1.438 50 0 IDAARN O=C([C@H]1CNC(=O)C1)N1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2ccncc2)C1 ZINC000014747675 526555666 /nfs/dbraw/zinc/55/56/66/526555666.db2.gz LSUMOICVKRIWSH-NHCUHLMSSA-N 0 0 436.512 1.016 50 0 IDAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c(C)s2)no1 ZINC000035502858 526562180 /nfs/dbraw/zinc/56/21/80/526562180.db2.gz DFNUVHUEXXEKIK-CQSZACIVSA-N 0 0 440.547 1.674 50 0 IDAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000035431366 526596464 /nfs/dbraw/zinc/59/64/64/526596464.db2.gz SBHRZVQEOOUAOW-UHFFFAOYSA-N 0 0 425.489 1.689 50 0 IDAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)c2)no1 ZINC000035557919 526622665 /nfs/dbraw/zinc/62/26/65/526622665.db2.gz CMFCKPHLRSZIIN-UHFFFAOYSA-N 0 0 439.563 1.281 50 0 IDAARN O=C(c1cc[n+]([O-])cc1)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2cccnc2)C1 ZINC000014533775 526646708 /nfs/dbraw/zinc/64/67/08/526646708.db2.gz PNPHHMFDPDUYOR-JOCHJYFZSA-N 0 0 432.480 1.785 50 0 IDAARN O=C(CCc1nc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)no1)N1CCCC1 ZINC000020562326 526650642 /nfs/dbraw/zinc/65/06/42/526650642.db2.gz QBLUITUMTUIFDH-UHFFFAOYSA-N 0 0 447.561 1.272 50 0 IDAARN Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)s1 ZINC000015729859 526693458 /nfs/dbraw/zinc/69/34/58/526693458.db2.gz RTMJEDGPWHBADW-UHFFFAOYSA-N 0 0 436.515 1.238 50 0 IDAARN O=C(NCc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012935614 526697359 /nfs/dbraw/zinc/69/73/59/526697359.db2.gz WGUUHUZXPSANAS-UHFFFAOYSA-N 0 0 435.477 1.813 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901385 526699294 /nfs/dbraw/zinc/69/92/94/526699294.db2.gz ATDRCAWASUDJAB-CQSZACIVSA-N 0 0 429.502 1.926 50 0 IDAARN O=C(CN1C(=O)CCC1=O)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000035598289 526707279 /nfs/dbraw/zinc/70/72/79/526707279.db2.gz AFZHYUBTSGEFFQ-UHFFFAOYSA-N 0 0 445.523 1.878 50 0 IDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NC1CCCC1 ZINC000015678512 526711521 /nfs/dbraw/zinc/71/15/21/526711521.db2.gz WAYLIRZMKYRMAL-UHFFFAOYSA-N 0 0 439.559 1.205 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C1=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000012522047 526719648 /nfs/dbraw/zinc/71/96/48/526719648.db2.gz 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ZINC000012136990 527641819 /nfs/dbraw/zinc/64/18/19/527641819.db2.gz FFXBJRVYLWZDFZ-XPHWWTOTSA-N 0 0 437.543 1.075 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000035426154 527655288 /nfs/dbraw/zinc/65/52/88/527655288.db2.gz MCTNCCDTWZKQRQ-UHFFFAOYSA-N 0 0 429.546 1.984 50 0 IDAARN O=C(NCCCN1CCCC1=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020930977 527662507 /nfs/dbraw/zinc/66/25/07/527662507.db2.gz MHXRVRGAZRMNRX-KRWDZBQOSA-N 0 0 439.564 1.898 50 0 IDAARN O=C(NCCCN1CCCC1=O)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063459 527663524 /nfs/dbraw/zinc/66/35/24/527663524.db2.gz IRPBJGMOEHRBGR-HXUWFJFHSA-N 0 0 428.514 1.832 50 0 IDAARN Cc1nn(CC(=O)N2CCN(C)CC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267286 527701741 /nfs/dbraw/zinc/70/17/41/527701741.db2.gz UEYAMRAXRQOKCA-UHFFFAOYSA-N 0 0 431.500 1.455 50 0 IDAARN CCCCN(C(=O)CN1CC(=O)Nc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003487054 535178995 /nfs/dbraw/zinc/17/89/95/535178995.db2.gz WUQAKHJPXJKIIE-UHFFFAOYSA-N 0 0 442.520 1.367 50 0 IDAARN CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(C(C)=O)cc2)c1=O ZINC000008223590 535592918 /nfs/dbraw/zinc/59/29/18/535592918.db2.gz ASEJKUMLGDVDPZ-UHFFFAOYSA-N 0 0 427.505 1.834 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)ccc2C)n(C)c1=O ZINC000009519191 535762355 /nfs/dbraw/zinc/76/23/55/535762355.db2.gz JXKMXAYTLRYIRD-UHFFFAOYSA-N 0 0 431.880 1.963 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccccc2OC)n(C)c1=O ZINC000009156831 535762548 /nfs/dbraw/zinc/76/25/48/535762548.db2.gz GNSJCJAWSYCHRI-CYBMUJFWSA-N 0 0 427.461 1.256 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cc(C)ccc2OC)n(C)c1=O ZINC000010102371 535762835 /nfs/dbraw/zinc/76/28/35/535762835.db2.gz IDBNIVRBXUDHSX-UHFFFAOYSA-N 0 0 427.461 1.319 50 0 IDAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000004911193 535778592 /nfs/dbraw/zinc/77/85/92/535778592.db2.gz BPCXTGUMNLSXBT-UHFFFAOYSA-N 0 0 426.517 1.505 50 0 IDAARN CCn1nnc2c1ncnc2N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC000013533534 535919300 /nfs/dbraw/zinc/91/93/00/535919300.db2.gz FATKUCQYZZQQOK-KRWDZBQOSA-N 0 0 448.531 1.560 50 0 IDAARN CNC(=O)[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c2ccccc2O1 ZINC000008861003 536397059 /nfs/dbraw/zinc/39/70/59/536397059.db2.gz YQLFBLVRFUKTEE-QGZVFWFLSA-N 0 0 449.554 1.615 50 0 IDAARN COc1ccccc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000004763818 537063442 /nfs/dbraw/zinc/06/34/42/537063442.db2.gz QFUYAPVKRPCEHO-UHFFFAOYSA-N 0 0 428.514 1.889 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c2c(nc1N1CCCCCC1)n(C)c(=O)n(C)c2=O ZINC000000625689 555512393 /nfs/dbraw/zinc/51/23/93/555512393.db2.gz YHIODPIESCGSSD-QGZVFWFLSA-N 0 0 441.532 1.562 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 ZINC000000660625 555526756 /nfs/dbraw/zinc/52/67/56/555526756.db2.gz XRMYLNIGWHYJML-OAHLLOKOSA-N 0 0 427.523 1.541 50 0 IDAARN CCNS(=O)(=O)c1ccc(NC(=O)c2nn(C)cc2I)cc1 ZINC000000672102 555531894 /nfs/dbraw/zinc/53/18/94/555531894.db2.gz WHGUOLYZGLVENJ-UHFFFAOYSA-N 0 0 434.259 1.575 50 0 IDAARN Cn1c2nc(Br)n(C[C@@H](O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O ZINC000000678535 555536066 /nfs/dbraw/zinc/53/60/66/555536066.db2.gz JRLVWXKNAUFMHF-CYBMUJFWSA-N 0 0 445.273 1.779 50 0 biogenic IDAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(I)c(O)c(OC)c1 ZINC000000683708 555539015 /nfs/dbraw/zinc/53/90/15/555539015.db2.gz CGUUSQFBHXCWTM-NSHDSACASA-N 0 0 434.255 1.971 50 0 IDAARN COc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1C ZINC000000791273 555557124 /nfs/dbraw/zinc/55/71/24/555557124.db2.gz PPCHNXAPBXGCAL-UHFFFAOYSA-N 0 0 442.497 1.886 50 0 IDAARN O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000815449 555561872 /nfs/dbraw/zinc/56/18/72/555561872.db2.gz KNYNIKXOLFTUQV-UHFFFAOYSA-N 0 0 438.527 1.261 50 0 IDAARN CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000000824782 555564823 /nfs/dbraw/zinc/56/48/23/555564823.db2.gz KFRDKTVPPITICP-JTQLQIEISA-N 0 0 428.276 1.602 50 0 biogenic IDAARN COc1cc(C=CC(=O)OCC(=O)NCCN2C(=O)CSC2=O)ccc1OC(F)F ZINC000009492097 555576837 /nfs/dbraw/zinc/57/68/37/555576837.db2.gz PFYJXGNDIWMPKY-HWKANZROSA-N 0 0 444.412 1.665 50 0 IDAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc2c(c1)OCO2 ZINC000009631966 555585333 /nfs/dbraw/zinc/58/53/33/555585333.db2.gz NQOPZTCABRNLRL-XBXARRHUSA-N 0 0 430.482 1.766 50 0 IDAARN CCCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009585146 555591485 /nfs/dbraw/zinc/59/14/85/555591485.db2.gz UZEFBNYGNGWMQU-VGOFRKELSA-N 0 0 447.557 1.586 50 0 IDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3ccccc3NC2=O)C(C(=O)OC)=C(N)O1 ZINC000000989131 555595414 /nfs/dbraw/zinc/59/54/14/555595414.db2.gz CPEUDRWVNFKHGZ-OAQYLSRUSA-N 0 0 430.413 1.020 50 0 biogenic IDAARN O=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc2nonc21 ZINC000001030301 555605615 /nfs/dbraw/zinc/60/56/15/555605615.db2.gz HKCIFICGBTVPCI-UHFFFAOYSA-N 0 0 436.515 1.602 50 0 IDAARN O=S(=O)(c1cccc2nonc21)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000001032394 555606262 /nfs/dbraw/zinc/60/62/62/555606262.db2.gz ITYHROJORBBOEQ-UHFFFAOYSA-N 0 0 428.396 1.933 50 0 IDAARN CC(=O)Nc1ccc(OC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001109706 555630784 /nfs/dbraw/zinc/63/07/84/555630784.db2.gz RRGWYJLNLPOGGR-GOSISDBHSA-N 0 0 444.465 1.650 50 0 IDAARN C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000001127270 555641646 /nfs/dbraw/zinc/64/16/46/555641646.db2.gz UVKLEFPYGWITTK-NSHDSACASA-N 0 0 436.310 1.427 50 0 biogenic IDAARN Cn1c2nc(N3CCOCC3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000001133233 555646095 /nfs/dbraw/zinc/64/60/95/555646095.db2.gz YZFTZYLLSFYPLG-UHFFFAOYSA-N 0 0 431.496 1.830 50 0 biogenic IDAARN CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccc(I)cc1 ZINC000001138484 555648461 /nfs/dbraw/zinc/64/84/61/555648461.db2.gz XRABLRSSDYPRLD-UHFFFAOYSA-N 0 0 445.282 1.769 50 0 IDAARN Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001152412 555656930 /nfs/dbraw/zinc/65/69/30/555656930.db2.gz DZNFNOIXVOTCQP-UHFFFAOYSA-N 0 0 427.408 1.720 50 0 IDAARN CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)C1 ZINC000071889495 555725352 /nfs/dbraw/zinc/72/53/52/555725352.db2.gz OOCMOZYJQZNEAV-HUUCEWRRSA-N 0 0 426.521 1.913 50 0 IDAARN CCCC1=C(C(=O)OCC)[C@@]2(c3ccccc3NC2=O)C(C(=O)OCCOC)=C(N)O1 ZINC000002056380 555730854 /nfs/dbraw/zinc/73/08/54/555730854.db2.gz BRBHFNFUDHOLRG-QFIPXVFZSA-N 0 0 430.457 1.884 50 0 biogenic IDAARN COc1ccc(OC[C@@H](O)CN2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1 ZINC000034677020 555795045 /nfs/dbraw/zinc/79/50/45/555795045.db2.gz JCJMRVVRZPMFPZ-SFHVURJKSA-N 0 0 446.548 1.627 50 0 IDAARN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(C[C@@H]1CCCO1)c(=O)n2-c1ccc(F)cc1 ZINC000034693680 555808275 /nfs/dbraw/zinc/80/82/75/555808275.db2.gz SVHATJAOVSMHMA-BBRMVZONSA-N 0 0 430.436 1.791 50 0 IDAARN COC(=O)c1coc(Cn2cnc3c2c(=O)n(CC(C)C)c(=O)n3-c2cccc(F)c2)n1 ZINC000034694777 555809764 /nfs/dbraw/zinc/80/97/64/555809764.db2.gz MJMGSNQNLVOHLJ-UHFFFAOYSA-N 0 0 441.419 1.967 50 0 IDAARN Cc1ccc(CN(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000002810718 555827267 /nfs/dbraw/zinc/82/72/67/555827267.db2.gz ZRDNYLZYOBMYCR-UHFFFAOYSA-N 0 0 429.542 1.910 50 0 IDAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)c(Br)c1 ZINC000002882261 555856328 /nfs/dbraw/zinc/85/63/28/555856328.db2.gz AOVVAFOTKQZWHU-CYBMUJFWSA-N 0 0 442.335 1.526 50 0 IDAARN Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc1 ZINC000002885278 555857730 /nfs/dbraw/zinc/85/77/30/555857730.db2.gz IAVYYLJDNHFNJY-HXUWFJFHSA-N 0 0 444.369 1.974 50 0 IDAARN Cc1ccsc1CN1CCc2nc(N3CCN(C)CC3)nc(N3CCOCC3)c2C1 ZINC000034755441 555900079 /nfs/dbraw/zinc/90/00/79/555900079.db2.gz GEKDMXHQOXWYBO-UHFFFAOYSA-N 0 0 428.606 1.993 50 0 IDAARN COc1cc(/C=C\C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000034869224 555925687 /nfs/dbraw/zinc/92/56/87/555925687.db2.gz UAZPQRRPVDRJIQ-AGLBCWCQSA-N 0 0 433.429 1.499 50 0 IDAARN CCCN1C(=O)[C@@](NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C(C(=O)OC)=C1C ZINC000004058175 555955889 /nfs/dbraw/zinc/95/58/89/555955889.db2.gz BOQUCBRMVHNPOT-MRXNPFEDSA-N 0 0 435.424 1.547 50 0 IDAARN O=C(CN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2)Nc1ccc2c(c1)OCCO2 ZINC000009526815 555993989 /nfs/dbraw/zinc/99/39/89/555993989.db2.gz GPOCVXFZFXCCMQ-UHFFFAOYSA-N 0 0 438.459 1.947 50 0 IDAARN CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004537000 556000202 /nfs/dbraw/zinc/00/02/02/556000202.db2.gz IDHICUTZYMBRBG-RBUKOAKNSA-N 0 0 447.532 1.998 50 0 IDAARN CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004536982 556000235 /nfs/dbraw/zinc/00/02/35/556000235.db2.gz IDHICUTZYMBRBG-OALUTQOASA-N 0 0 447.532 1.998 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000004721105 556007912 /nfs/dbraw/zinc/00/79/12/556007912.db2.gz OMSNNICLCCDJLB-PKOBYXMFSA-N 0 0 427.501 1.830 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000005313162 556044733 /nfs/dbraw/zinc/04/47/33/556044733.db2.gz LYNFXWDFSMKACP-SFHVURJKSA-N 0 0 449.511 1.808 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(COC(=O)c2sccc2S(=O)(=O)NC2CC2)c1 ZINC000010564852 556070998 /nfs/dbraw/zinc/07/09/98/556070998.db2.gz AHSMWLAZUURNME-UHFFFAOYSA-N 0 0 444.556 1.796 50 0 IDAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000006149640 556078161 /nfs/dbraw/zinc/07/81/61/556078161.db2.gz CDXOYDBUOZLHMX-HNNXBMFYSA-N 0 0 445.520 1.864 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCOCC2)C1 ZINC000006577154 556095572 /nfs/dbraw/zinc/09/55/72/556095572.db2.gz KTRKCEXPLLRSED-HUUCEWRRSA-N 0 0 437.518 1.120 50 0 IDAARN Cc1sc2nc(SCC(=O)N(CCO)CCO)n(-c3ccccc3)c(=O)c2c1C ZINC000002659568 556118045 /nfs/dbraw/zinc/11/80/45/556118045.db2.gz ABBFYNVRZPZURM-UHFFFAOYSA-N 0 0 433.555 1.969 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccn(Cc4ccccc4F)n3)C2)cn1 ZINC000002806486 556142454 /nfs/dbraw/zinc/14/24/54/556142454.db2.gz BNSKGFQNJSLLPJ-MRXNPFEDSA-N 0 0 446.508 1.843 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCC(C)C)c(C)c1 ZINC000003017366 556158552 /nfs/dbraw/zinc/15/85/52/556158552.db2.gz ZACILRJEWDXKRW-KRWDZBQOSA-N 0 0 425.551 1.237 50 0 IDAARN COC(=O)c1sccc1NC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccs1 ZINC000008636675 556194447 /nfs/dbraw/zinc/19/44/47/556194447.db2.gz RZWXBIRAUVGXLW-NSHDSACASA-N 0 0 443.528 1.114 50 0 IDAARN O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008715419 556201734 /nfs/dbraw/zinc/20/17/34/556201734.db2.gz ABOBOUPWQXDKKE-UHFFFAOYSA-N 0 0 443.485 1.724 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CCOCCO ZINC000008725034 556204082 /nfs/dbraw/zinc/20/40/82/556204082.db2.gz IUFKZCISXSORIA-UHFFFAOYSA-N 0 0 425.489 1.018 50 0 IDAARN COc1cc(C)ccc1OCC(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000008745889 556209430 /nfs/dbraw/zinc/20/94/30/556209430.db2.gz FNPIEIUEJGIKFJ-UHFFFAOYSA-N 0 0 441.527 1.962 50 0 IDAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(S(N)(=O)=O)cc3)C(=O)[C@@H]1C2 ZINC000008770493 556213368 /nfs/dbraw/zinc/21/33/68/556213368.db2.gz QLXQCOJLOXEYDS-HNNXBMFYSA-N 0 0 433.511 1.410 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000008921820 556233336 /nfs/dbraw/zinc/23/33/36/556233336.db2.gz PFIUZZSDDKFGQW-UHFFFAOYSA-N 0 0 436.540 1.852 50 0 IDAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 ZINC000009095554 556246528 /nfs/dbraw/zinc/24/65/28/556246528.db2.gz CEQJLJJHNXNPKA-CQSZACIVSA-N 0 0 447.513 1.994 50 0 IDAARN CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc2c(cc1Br)OCO2 ZINC000009130679 556248866 /nfs/dbraw/zinc/24/88/66/556248866.db2.gz RZCYEUPGBMWDRH-UHFFFAOYSA-N 0 0 439.291 1.695 50 0 IDAARN Cn1nc(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2c1=O ZINC000009191394 556253817 /nfs/dbraw/zinc/25/38/17/556253817.db2.gz BPZKQCAGTHOYQY-UHFFFAOYSA-N 0 0 442.497 1.136 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1O)occ3C(C)(C)C ZINC000009306846 556276891 /nfs/dbraw/zinc/27/68/91/556276891.db2.gz XKXWPWPPCOORKR-DLBZAZTESA-N 0 0 447.509 1.962 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc3c(cc(OC)cc3OC)n2C)CC1 ZINC000013688153 556277738 /nfs/dbraw/zinc/27/77/38/556277738.db2.gz VNAATTPURJGKMU-UHFFFAOYSA-N 0 0 432.477 1.226 50 0 IDAARN O=C(COc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000013689460 556278651 /nfs/dbraw/zinc/27/86/51/556278651.db2.gz RFLOASPBGGCEGC-FQEVSTJZSA-N 0 0 426.425 1.305 50 0 IDAARN COc1ccc(CCNC(=O)CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1OC ZINC000013690257 556279331 /nfs/dbraw/zinc/27/93/31/556279331.db2.gz LQGOSDOBFAOGCE-UHFFFAOYSA-N 0 0 438.484 1.348 50 0 IDAARN CC(=O)c1ccc(NC(=O)C[C@H]2N=C(N3CCN(Cc4ccccc4)CC3)NC2=O)cc1 ZINC000013690223 556279333 /nfs/dbraw/zinc/27/93/33/556279333.db2.gz KDJWIQBSPPZZFT-OAQYLSRUSA-N 0 0 433.512 1.890 50 0 IDAARN COc1cc(-c2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc(OC)c1OC ZINC000013718634 556288381 /nfs/dbraw/zinc/28/83/81/556288381.db2.gz SZVCPPGGQYAXRS-LBPRGKRZSA-N 0 0 426.516 1.682 50 0 IDAARN 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556374923 /nfs/dbraw/zinc/37/49/23/556374923.db2.gz WGMRCRDVMRFYEP-UHFFFAOYSA-N 0 0 443.577 1.138 50 0 IDAARN Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1NC(=O)c1ccco1 ZINC000014135594 556375062 /nfs/dbraw/zinc/37/50/62/556375062.db2.gz MDALDJDUFYGRAR-KRWDZBQOSA-N 0 0 431.514 1.785 50 0 IDAARN O=C(Cn1nnc(COc2ccccc2)n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014141452 556376588 /nfs/dbraw/zinc/37/65/88/556376588.db2.gz PKZGBRKSTZGTFT-UHFFFAOYSA-N 0 0 434.500 1.531 50 0 IDAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000014162029 556378556 /nfs/dbraw/zinc/37/85/56/556378556.db2.gz VSBMITMXHHIYQF-QFIPXVFZSA-N 0 0 440.456 1.469 50 0 IDAARN O=C(CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1)N1CCCC1 ZINC000014170626 556381546 /nfs/dbraw/zinc/38/15/46/556381546.db2.gz UBOCHYZDLOIBAS-HSZRJFAPSA-N 0 0 448.567 1.794 50 0 IDAARN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCC(=O)N2CCCC2)cc1 ZINC000014180378 556382228 /nfs/dbraw/zinc/38/22/28/556382228.db2.gz 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C[C@]1(c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)NC(=O)NC1=O ZINC000032818929 556393757 /nfs/dbraw/zinc/39/37/57/556393757.db2.gz XSOHLNIPYHKYDG-HXUWFJFHSA-N 0 0 428.470 1.669 50 0 IDAARN COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C(=O)C2CCC2)CC3)cc1 ZINC000012056227 556394111 /nfs/dbraw/zinc/39/41/11/556394111.db2.gz BPFWGDICGDTIIO-UHFFFAOYSA-N 0 0 439.512 1.980 50 0 IDAARN O=S(=O)(NCCc1cn2c(n1)CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000032809776 556394526 /nfs/dbraw/zinc/39/45/26/556394526.db2.gz QYAQNYXAABYUPB-UHFFFAOYSA-N 0 0 438.575 1.525 50 0 IDAARN COCCN1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012076096 556397538 /nfs/dbraw/zinc/39/75/38/556397538.db2.gz DIDLKQRNHKBGPR-GOSISDBHSA-N 0 0 442.482 1.187 50 0 IDAARN NC(=O)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000014235310 556399190 /nfs/dbraw/zinc/39/91/90/556399190.db2.gz WUESRSAGFRTSMI-UHFFFAOYSA-N 0 0 431.470 1.744 50 0 IDAARN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000014242116 556402590 /nfs/dbraw/zinc/40/25/90/556402590.db2.gz RVWOMTDPRBKNKK-AWEZNQCLSA-N 0 0 443.481 1.888 50 0 IDAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)C1=O ZINC000014242444 556403214 /nfs/dbraw/zinc/40/32/14/556403214.db2.gz WTBFUVKTFJFIFK-JOCHJYFZSA-N 0 0 441.488 1.520 50 0 IDAARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000014242500 556403220 /nfs/dbraw/zinc/40/32/20/556403220.db2.gz BBHWDGSKESIDAH-UHFFFAOYSA-N 0 0 442.545 1.348 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000014244440 556404258 /nfs/dbraw/zinc/40/42/58/556404258.db2.gz PBZAZSJSPBHDJO-CQSZACIVSA-N 0 0 446.504 1.999 50 0 IDAARN NC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000014245208 556405080 /nfs/dbraw/zinc/40/50/80/556405080.db2.gz PEJQLHAGLCOTCV-UHFFFAOYSA-N 0 0 437.905 1.351 50 0 IDAARN CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014245354 556405168 /nfs/dbraw/zinc/40/51/68/556405168.db2.gz OWVQKMVFEFZTPO-UHFFFAOYSA-N 0 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CCOC(=O)C1CCN(C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CC1 ZINC000012975191 556421052 /nfs/dbraw/zinc/42/10/52/556421052.db2.gz UPGYXGQMHVCOFM-UHFFFAOYSA-N 0 0 434.489 1.348 50 0 IDAARN CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)CSc2nncn2C)CC1=O ZINC000014532486 556421199 /nfs/dbraw/zinc/42/11/99/556421199.db2.gz JKXZDZLELIHMSX-KRWDZBQOSA-N 0 0 432.550 1.214 50 0 IDAARN COc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000012976762 556422159 /nfs/dbraw/zinc/42/21/59/556422159.db2.gz KNWWBIVUYLXLOE-MRXNPFEDSA-N 0 0 432.498 1.906 50 0 IDAARN COc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000012976760 556422214 /nfs/dbraw/zinc/42/22/14/556422214.db2.gz KNWWBIVUYLXLOE-INIZCTEOSA-N 0 0 432.498 1.906 50 0 IDAARN Cc1nc(C(=O)N2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OCC3CC3)C2)cs1 ZINC000014535771 556423473 /nfs/dbraw/zinc/42/34/73/556423473.db2.gz DDHZPALVKBSSAT-QGZVFWFLSA-N 0 0 434.562 1.544 50 0 IDAARN CC(C)N1C[C@@H](OCc2ccc(F)cc2)CN(C(=O)c2nc3ncccn3n2)CC1=O ZINC000014537687 556423929 /nfs/dbraw/zinc/42/39/29/556423929.db2.gz OSKMKSBNAKLLOX-KRWDZBQOSA-N 0 0 426.452 1.542 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 ZINC000012980741 556424313 /nfs/dbraw/zinc/42/43/13/556424313.db2.gz OSWYMHGVXWEWPV-OAQYLSRUSA-N 0 0 429.498 1.709 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)cc1 ZINC000012984704 556426017 /nfs/dbraw/zinc/42/60/17/556426017.db2.gz FJQQPLFKBJAKNV-UHFFFAOYSA-N 0 0 437.562 1.615 50 0 IDAARN C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(F)cc3)CCN2C1=O ZINC000014542832 556426528 /nfs/dbraw/zinc/42/65/28/556426528.db2.gz NIMNGGSKRPYURY-YSGRDPCXSA-N 0 0 425.460 1.582 50 0 IDAARN Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(Br)c2)c1=O ZINC000032682516 556427282 /nfs/dbraw/zinc/42/72/82/556427282.db2.gz QVFKGYWWSKDSNL-UHFFFAOYSA-N 0 0 436.310 1.521 50 0 IDAARN CCc1nn2c(nc(COC(=O)CCN3c4ccccc4O[C@@H](C)C3=O)cc2=O)s1 ZINC000032842863 556428221 /nfs/dbraw/zinc/42/82/21/556428221.db2.gz JGODZXRDMSPFKW-LBPRGKRZSA-N 0 0 428.470 1.961 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1 ZINC000012993029 556429202 /nfs/dbraw/zinc/42/92/02/556429202.db2.gz PODDLTUHKYXKFV-UHFFFAOYSA-N 0 0 434.562 1.901 50 0 IDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCCN2C(=O)c3ccccc3C2=O)C1=O ZINC000012994099 556429761 /nfs/dbraw/zinc/42/97/61/556429761.db2.gz FHZXOXJDZLXODY-QHCPKHFHSA-N 0 0 434.452 1.951 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000032855736 556433156 /nfs/dbraw/zinc/43/31/56/556433156.db2.gz VURDFWWAIGAODA-UHFFFAOYSA-N 0 0 428.461 1.946 50 0 IDAARN CCCn1c2ccc(S(N)(=O)=O)cc2n(C[C@@H](O)COc2ccc(CC)cc2)c1=O ZINC000013006145 556435084 /nfs/dbraw/zinc/43/50/84/556435084.db2.gz AZYYUNPDOIDHNR-MRXNPFEDSA-N 0 0 433.530 1.863 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000013012154 556435935 /nfs/dbraw/zinc/43/59/35/556435935.db2.gz BVAJUTCVLALLKE-ZDUSSCGKSA-N 0 0 448.501 1.237 50 0 IDAARN O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C[C@H]12 ZINC000014741905 556439138 /nfs/dbraw/zinc/43/91/38/556439138.db2.gz GCPAJRNZGAVRQI-FUHWJXTLSA-N 0 0 440.504 1.426 50 0 IDAARN COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(Cc3ncc[nH]3)CC2)C1=O ZINC000014743650 556439798 /nfs/dbraw/zinc/43/97/98/556439798.db2.gz JPESVEKZVYUFEM-UHFFFAOYSA-N 0 0 441.532 1.906 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000013030248 556442174 /nfs/dbraw/zinc/44/21/74/556442174.db2.gz XZIDECJUCJHKKJ-INIZCTEOSA-N 0 0 430.530 1.427 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000032957413 556442309 /nfs/dbraw/zinc/44/23/09/556442309.db2.gz RILHPKUARMVEMK-HNNXBMFYSA-N 0 0 439.534 1.456 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1 ZINC000013038691 556444515 /nfs/dbraw/zinc/44/45/15/556444515.db2.gz WBWGHTCMALEGNA-UHFFFAOYSA-N 0 0 448.570 1.970 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc1 ZINC000013039289 556445063 /nfs/dbraw/zinc/44/50/63/556445063.db2.gz GKSBYEFPZOUUQQ-UHFFFAOYSA-N 0 0 434.543 1.580 50 0 IDAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2nccs2)c(=O)[nH]c1=O ZINC000013040799 556446496 /nfs/dbraw/zinc/44/64/96/556446496.db2.gz QRVHOYZSFLTYDT-UHFFFAOYSA-N 0 0 436.538 1.783 50 0 IDAARN C[C@@H](OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013040860 556446884 /nfs/dbraw/zinc/44/68/84/556446884.db2.gz PPGUXIKVUHGGEQ-NWDGAFQWSA-N 0 0 445.453 1.413 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)C2=O ZINC000013041096 556447226 /nfs/dbraw/zinc/44/72/26/556447226.db2.gz AYHXOVFGEVJYME-ASNBIDDJSA-N 0 0 447.557 1.703 50 0 IDAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2nn(C)c(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000013042486 556448493 /nfs/dbraw/zinc/44/84/93/556448493.db2.gz LRWPGWBDFBRFAP-UHFFFAOYSA-N 0 0 440.504 1.469 50 0 IDAARN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000014850096 556450089 /nfs/dbraw/zinc/45/00/89/556450089.db2.gz ZGGSBEWSORLGAF-UHFFFAOYSA-N 0 0 447.542 1.136 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)n(C)c1 ZINC000032869044 556450205 /nfs/dbraw/zinc/45/02/05/556450205.db2.gz PZULKNQYTXJNRW-UHFFFAOYSA-N 0 0 433.530 1.946 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCc3cc(=O)n(C)c(=O)n3C)CCCC2)c1 ZINC000032865271 556450399 /nfs/dbraw/zinc/45/03/99/556450399.db2.gz OPNALQAKIVFOMB-UHFFFAOYSA-N 0 0 434.514 1.531 50 0 IDAARN CCCCN(C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000013061581 556450762 /nfs/dbraw/zinc/45/07/62/556450762.db2.gz DCFQPKCJTJIHBN-QVKFZJNVSA-N 0 0 449.529 1.032 50 0 IDAARN CN1C(=O)N(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C(=O)C1(C)C ZINC000013062793 556451397 /nfs/dbraw/zinc/45/13/97/556451397.db2.gz PDNXYHLFXQVKEA-UHFFFAOYSA-N 0 0 449.360 1.930 50 0 IDAARN CC(C)C[C@@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1=O ZINC000013063451 556451981 /nfs/dbraw/zinc/45/19/81/556451981.db2.gz FYGCXLPEOKQPRE-LJQANCHMSA-N 0 0 444.504 1.585 50 0 IDAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000013069929 556453202 /nfs/dbraw/zinc/45/32/02/556453202.db2.gz CMVDLZXZDWTOHZ-LAUBAEHRSA-N 0 0 435.546 1.515 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000013071345 556453494 /nfs/dbraw/zinc/45/34/94/556453494.db2.gz FRJGGCMGZZVFCY-UHFFFAOYSA-N 0 0 434.543 1.661 50 0 IDAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC(=O)NC1CCCC1 ZINC000013074548 556455012 /nfs/dbraw/zinc/45/50/12/556455012.db2.gz QUUNTHZPBZUENI-UHFFFAOYSA-N 0 0 449.485 1.683 50 0 IDAARN COCCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2COC)(c2ccccc2OC)C1=O ZINC000014884931 556455095 /nfs/dbraw/zinc/45/50/95/556455095.db2.gz HZPWRVUWHTZVPI-SBUREZEXSA-N 0 0 432.517 1.756 50 0 IDAARN C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013075079 556455261 /nfs/dbraw/zinc/45/52/61/556455261.db2.gz BMGQPENPGVDIDG-AWEZNQCLSA-N 0 0 449.485 1.364 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000013095768 556456583 /nfs/dbraw/zinc/45/65/83/556456583.db2.gz LIXXTAWQEDYPGM-UHFFFAOYSA-N 0 0 445.541 1.973 50 0 IDAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013097374 556457919 /nfs/dbraw/zinc/45/79/19/556457919.db2.gz ILEVUDWDJFXWMN-UHFFFAOYSA-N 0 0 439.563 1.887 50 0 IDAARN CCC[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000013097784 556458523 /nfs/dbraw/zinc/45/85/23/556458523.db2.gz NZTJQLURZWFDJF-OAHLLOKOSA-N 0 0 448.467 1.690 50 0 IDAARN CCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000013097783 556458554 /nfs/dbraw/zinc/45/85/54/556458554.db2.gz NZTJQLURZWFDJF-HNNXBMFYSA-N 0 0 448.467 1.690 50 0 IDAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000013097708 556458562 /nfs/dbraw/zinc/45/85/62/556458562.db2.gz IRUCDWOXOBNCPF-CYBMUJFWSA-N 0 0 425.532 1.512 50 0 IDAARN CC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)c1 ZINC000013099032 556459409 /nfs/dbraw/zinc/45/94/09/556459409.db2.gz VURCOUNBCOFQSD-CYBMUJFWSA-N 0 0 425.532 1.924 50 0 IDAARN CCN(C(=O)Cn1c2ccccc2oc1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013108113 556461710 /nfs/dbraw/zinc/46/17/10/556461710.db2.gz WSRWNMPKZCHSFB-UHFFFAOYSA-N 0 0 435.440 1.128 50 0 IDAARN COCc1c(C(=O)NCCN2CCOCC2)c(=O)cc(C)n1CCCc1ccccc1 ZINC000014955880 556462376 /nfs/dbraw/zinc/46/23/76/556462376.db2.gz HQUYMDAHFTZRFE-UHFFFAOYSA-N 0 0 427.545 1.998 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)N(C)C ZINC000072281268 556463849 /nfs/dbraw/zinc/46/38/49/556463849.db2.gz PISDWBGGTACVOA-DAYGRLMNSA-N 0 0 425.551 1.327 50 0 IDAARN CC(=O)N1CCN(C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)CC1 ZINC000014962704 556464640 /nfs/dbraw/zinc/46/46/40/556464640.db2.gz MJLUXRXEIBQGGB-UHFFFAOYSA-N 0 0 443.953 1.447 50 0 IDAARN O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCNC1=O ZINC000013117003 556469164 /nfs/dbraw/zinc/46/91/64/556469164.db2.gz FSPQZFUOCGFCSZ-UHFFFAOYSA-N 0 0 436.472 1.075 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2csc(Cc3ccccc3)n2)C[C@@H](C)O1 ZINC000029186649 556469632 /nfs/dbraw/zinc/46/96/32/556469632.db2.gz BVURFIBXNOIHBK-HZPDHXFCSA-N 0 0 437.587 1.832 50 0 IDAARN O=C(NCCc1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2)[C@H]1CCCO1 ZINC000014987115 556473004 /nfs/dbraw/zinc/47/30/04/556473004.db2.gz IMFDEGNTTOZYPF-MRXNPFEDSA-N 0 0 447.923 1.556 50 0 IDAARN CCCCN(C(=O)CSc1nc[nH]n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013121401 556474164 /nfs/dbraw/zinc/47/41/64/556474164.db2.gz OKPVKZMIYLPHDR-UHFFFAOYSA-N 0 0 429.506 1.211 50 0 IDAARN CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000013127371 556476090 /nfs/dbraw/zinc/47/60/90/556476090.db2.gz BSHMBAHJMWWVFR-QGZVFWFLSA-N 0 0 432.454 1.806 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NCCc1c[nH]c2ccccc12 ZINC000013128025 556477077 /nfs/dbraw/zinc/47/70/77/556477077.db2.gz OWEXJXFPVBKTBR-UHFFFAOYSA-N 0 0 440.569 1.974 50 0 IDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCOCC2)C1 ZINC000013131406 556480454 /nfs/dbraw/zinc/48/04/54/556480454.db2.gz KTRKCEXPLLRSED-GASCZTMLSA-N 0 0 437.518 1.120 50 0 IDAARN C[C@@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)C1 ZINC000013144660 556487557 /nfs/dbraw/zinc/48/75/57/556487557.db2.gz XVGHTSDUGWIMLB-OKILXGFUSA-N 0 0 429.550 1.498 50 0 IDAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)c1 ZINC000029985233 556488245 /nfs/dbraw/zinc/48/82/45/556488245.db2.gz XKSBUGFVDAQCBP-UHFFFAOYSA-N 0 0 426.517 1.893 50 0 IDAARN Cc1cc(N2CCN(CC(=O)NCC(=O)Nc3ccc(F)cc3)CC2)nc(C(C)C)n1 ZINC000015032835 556489384 /nfs/dbraw/zinc/48/93/84/556489384.db2.gz BFANAGDZHVABOU-UHFFFAOYSA-N 0 0 428.512 1.924 50 0 IDAARN COCCn1c(CN2CCNC(=O)C2(C)C)cnc1S(=O)(=O)CC1CCCCC1 ZINC000015063902 556491451 /nfs/dbraw/zinc/49/14/51/556491451.db2.gz HJNLDSPWUDWXPU-UHFFFAOYSA-N 0 0 426.583 1.594 50 0 IDAARN CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 ZINC000015065238 556492435 /nfs/dbraw/zinc/49/24/35/556492435.db2.gz WIVXCANWOAXUSS-QHCPKHFHSA-N 0 0 443.500 1.339 50 0 IDAARN O=C1C[C@@H](N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000030518274 556496344 /nfs/dbraw/zinc/49/63/44/556496344.db2.gz SPWNIQHFUQAPHI-HXUWFJFHSA-N 0 0 445.516 1.896 50 0 IDAARN O=C(c1cc2c(s1)CCCC2)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032704777 556498579 /nfs/dbraw/zinc/49/85/79/556498579.db2.gz XFOZGFKEHLHKFE-UHFFFAOYSA-N 0 0 446.554 1.943 50 0 IDAARN CCCn1c(CCC(=O)NCC(=O)OC)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000030598998 556499348 /nfs/dbraw/zinc/49/93/48/556499348.db2.gz MJYRZGODHLHIGB-UHFFFAOYSA-N 0 0 436.534 1.453 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)c1 ZINC000015089456 556503213 /nfs/dbraw/zinc/50/32/13/556503213.db2.gz IFYGSNXEEYDQFJ-UHFFFAOYSA-N 0 0 443.533 1.903 50 0 IDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000013495552 556508851 /nfs/dbraw/zinc/50/88/51/556508851.db2.gz 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COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1OC ZINC000013566069 556518901 /nfs/dbraw/zinc/51/89/01/556518901.db2.gz LUSRHJPQCNWBPJ-OAHLLOKOSA-N 0 0 447.513 1.842 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1OC ZINC000013566070 556518940 /nfs/dbraw/zinc/51/89/40/556518940.db2.gz LUSRHJPQCNWBPJ-HNNXBMFYSA-N 0 0 447.513 1.842 50 0 IDAARN COc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 ZINC000013566665 556519801 /nfs/dbraw/zinc/51/98/01/556519801.db2.gz JJYHGADSABNTPY-ZDUSSCGKSA-N 0 0 432.502 1.679 50 0 IDAARN COc1ccc2[nH]cc(CCNC(=O)CNC(=O)Cc3n[nH]c(=O)c4ccccc34)c2c1 ZINC000013571058 556522169 /nfs/dbraw/zinc/52/21/69/556522169.db2.gz XLEUFTOSBCDCIS-UHFFFAOYSA-N 0 0 433.468 1.431 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000072296591 556522138 /nfs/dbraw/zinc/52/21/38/556522138.db2.gz IOHRIFGSWKKCCY-FQEVSTJZSA-N 0 0 435.521 1.602 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 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CCS(=O)(=O)N1CCC(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)CC1 ZINC000032907606 556560249 /nfs/dbraw/zinc/56/02/49/556560249.db2.gz JHRWOVODOVHSSL-KRWDZBQOSA-N 0 0 431.505 1.650 50 0 IDAARN Cn1ccc(NC(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)n1 ZINC000072306913 556560902 /nfs/dbraw/zinc/56/09/02/556560902.db2.gz WRXXGQYYBTTYSH-UHFFFAOYSA-N 0 0 447.286 1.595 50 0 IDAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2ccnc2S(C)(=O)=O)c1 ZINC000072307045 556561454 /nfs/dbraw/zinc/56/14/54/556561454.db2.gz HWPSRXSMPSHTTG-UHFFFAOYSA-N 0 0 448.526 1.750 50 0 IDAARN Cc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000033325565 556561607 /nfs/dbraw/zinc/56/16/07/556561607.db2.gz LMUALYREVFXCQN-QGZVFWFLSA-N 0 0 430.530 1.556 50 0 IDAARN CCN(C(=O)CN(C)Cc1cccc(O)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072308180 556564427 /nfs/dbraw/zinc/56/44/27/556564427.db2.gz HMMPLZPHIOCIMH-UHFFFAOYSA-N 0 0 437.500 1.358 50 0 IDAARN COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000015933649 556565710 /nfs/dbraw/zinc/56/57/10/556565710.db2.gz GREBDEIKMXJQTL-MRXNPFEDSA-N 0 0 425.551 1.463 50 0 IDAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC2CCN(C(=O)C3CC3)CC2)C(C)C)c1 ZINC000032908683 556565713 /nfs/dbraw/zinc/56/57/13/556565713.db2.gz MFUJTZXKVGUHNE-FQEVSTJZSA-N 0 0 431.533 1.975 50 0 IDAARN C[C@H]1C[S@](=O)CCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000072308402 556566196 /nfs/dbraw/zinc/56/61/96/556566196.db2.gz FGTZRRPWEONOOD-PWFNWSNSSA-N 0 0 448.010 1.906 50 0 IDAARN CS(=O)(=O)CC[C@H](C(=O)N1CCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002850592 556572852 /nfs/dbraw/zinc/57/28/52/556572852.db2.gz QSRWMDXTJJJPLT-CQSZACIVSA-N 0 0 449.312 1.252 50 0 IDAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016010078 556573882 /nfs/dbraw/zinc/57/38/82/556573882.db2.gz PSLFARPWFHKJMQ-DYXJYMTDSA-N 0 0 444.919 1.577 50 0 IDAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016021919 556575379 /nfs/dbraw/zinc/57/53/79/556575379.db2.gz CBFVFKZESBYWGA-CUYVQJCZSA-N 0 0 434.290 1.322 50 0 IDAARN O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NCc1nnc2n1CCCCC2 ZINC000072310338 556575762 /nfs/dbraw/zinc/57/57/62/556575762.db2.gz BAJBZNDQDXQSOW-UHFFFAOYSA-N 0 0 426.521 1.575 50 0 IDAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C[C@H](C)O1 ZINC000016035698 556577690 /nfs/dbraw/zinc/57/76/90/556577690.db2.gz IUAFOCGYCBKNFP-IRXDYDNUSA-N 0 0 446.525 1.958 50 0 IDAARN O=C(COC(=O)[C@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000016043852 556578614 /nfs/dbraw/zinc/57/86/14/556578614.db2.gz SSQCSENNUJVQDO-OAHLLOKOSA-N 0 0 432.882 1.022 50 0 IDAARN CCN(C(=O)COC(=O)c1c(NC(C)=O)sc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000016044791 556578903 /nfs/dbraw/zinc/57/89/03/556578903.db2.gz XEKWIZHHCNZGPY-ZDUSSCGKSA-N 0 0 442.559 1.778 50 0 IDAARN Cc1occc1-c1nnc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)n1C ZINC000016045597 556579547 /nfs/dbraw/zinc/57/95/47/556579547.db2.gz ZLLJCQXIKNDKCN-HXUWFJFHSA-N 0 0 440.485 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COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1 ZINC000038530844 556613430 /nfs/dbraw/zinc/61/34/30/556613430.db2.gz FILBCKZUYUDEHT-UHFFFAOYSA-N 0 0 433.534 1.605 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 ZINC000038530770 556613463 /nfs/dbraw/zinc/61/34/63/556613463.db2.gz JVYARCDVHAENID-UHFFFAOYSA-N 0 0 433.534 1.223 50 0 IDAARN COc1ccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000016522007 556613741 /nfs/dbraw/zinc/61/37/41/556613741.db2.gz UWFNUIIWEDZDOA-INIZCTEOSA-N 0 0 435.521 1.846 50 0 IDAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC000004986237 556614887 /nfs/dbraw/zinc/61/48/87/556614887.db2.gz XMVLREGUEPGISF-UHFFFAOYSA-N 0 0 425.576 1.533 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nccn2-c2ccc(OC)cc2)c(=O)n(C)c1=O ZINC000016675296 556622371 /nfs/dbraw/zinc/62/23/71/556622371.db2.gz FUIPDHXVPXCWCD-UHFFFAOYSA-N 0 0 429.502 1.709 50 0 IDAARN Cc1nn2c(nc(N3CCN(CC(=O)N4CCOCC4)CC3)c3ccccc32)c1Cl ZINC000016737962 556633932 /nfs/dbraw/zinc/63/39/32/556633932.db2.gz KKUHIFXQZWQYFK-UHFFFAOYSA-N 0 0 428.924 1.825 50 0 IDAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)sc2c1 ZINC000016751395 556637570 /nfs/dbraw/zinc/63/75/70/556637570.db2.gz YRYTUXMIYPZOLE-UHFFFAOYSA-N 0 0 446.919 1.799 50 0 IDAARN COc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)[nH]c2c1 ZINC000011726459 556646858 /nfs/dbraw/zinc/64/68/58/556646858.db2.gz RNCCQUQQKRWKEP-UHFFFAOYSA-N 0 0 429.498 1.760 50 0 IDAARN CNC(=O)[C@H]1CN(CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)c2ccccc2O1 ZINC000247952869 556649015 /nfs/dbraw/zinc/64/90/15/556649015.db2.gz MPSRXPFYPHKIQK-FXAWDEMLSA-N 0 0 449.573 1.348 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2nc(-c3cccnc3)ccc2=O)cc1 ZINC000011745614 556650103 /nfs/dbraw/zinc/65/01/03/556650103.db2.gz GSAFVGCHQSQUCL-UHFFFAOYSA-N 0 0 441.513 1.376 50 0 IDAARN COc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000016965732 556651456 /nfs/dbraw/zinc/65/14/56/556651456.db2.gz HDZDHRBICLFFLS-UHFFFAOYSA-N 0 0 440.547 1.872 50 0 IDAARN C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000016970757 556651701 /nfs/dbraw/zinc/65/17/01/556651701.db2.gz DYVKEUJHAHTUEI-PBHICJAKSA-N 0 0 437.518 1.166 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000248011450 556655583 /nfs/dbraw/zinc/65/55/83/556655583.db2.gz JBPXBMHPVXIKNU-TZIWHRDSSA-N 0 0 435.590 1.861 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCC3)nn2)cc1 ZINC000011792423 556656317 /nfs/dbraw/zinc/65/63/17/556656317.db2.gz RWHVYMJGNUMHJQ-UHFFFAOYSA-N 0 0 449.558 1.694 50 0 IDAARN COc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000248038325 556657817 /nfs/dbraw/zinc/65/78/17/556657817.db2.gz KAKXBGKPFHLDAY-ZBFHGGJFSA-N 0 0 444.575 1.517 50 0 IDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1cnn(C)c1C ZINC000017094814 556657845 /nfs/dbraw/zinc/65/78/45/556657845.db2.gz SXJKHXXQZPRYFG-WBNHJWIASA-N 0 0 426.473 1.589 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1 ZINC000011856908 556662361 /nfs/dbraw/zinc/66/23/61/556662361.db2.gz JWDBALXEAPJVOK-UHFFFAOYSA-N 0 0 432.429 1.935 50 0 IDAARN Cn1c(SCC(=O)NC2CC2)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000017099674 556664898 /nfs/dbraw/zinc/66/48/98/556664898.db2.gz UFQQCEIFKYSNBP-CQSZACIVSA-N 0 0 435.575 1.754 50 0 IDAARN CCOC(=O)[C@H]1CSCCN1C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000033016190 556665298 /nfs/dbraw/zinc/66/52/98/556665298.db2.gz MEBJLBHZODOIDA-VGSWGCGISA-N 0 0 445.541 1.883 50 0 IDAARN CSc1nc2nc(C)c(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)c(C)n2n1 ZINC000017114864 556668326 /nfs/dbraw/zinc/66/83/26/556668326.db2.gz IYJWWXRWQICZCM-UHFFFAOYSA-N 0 0 431.522 1.682 50 0 IDAARN COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c1 ZINC000011904664 556670415 /nfs/dbraw/zinc/67/04/15/556670415.db2.gz UXJNNRULLDXXNC-UHFFFAOYSA-N 0 0 438.483 1.649 50 0 IDAARN CNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000017165134 556671118 /nfs/dbraw/zinc/67/11/18/556671118.db2.gz QNOMUTMJHLXJSE-NSHDSACASA-N 0 0 440.294 1.689 50 0 IDAARN O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC000017170783 556671406 /nfs/dbraw/zinc/67/14/06/556671406.db2.gz FYBQVVQVWDUQMD-UHFFFAOYSA-N 0 0 443.500 1.808 50 0 IDAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCN3C(=O)CCC3=O)CC2)cc1 ZINC000032930033 556673191 /nfs/dbraw/zinc/67/31/91/556673191.db2.gz ORCZMRSDOZJMGS-UHFFFAOYSA-N 0 0 449.573 1.746 50 0 IDAARN CCN(C(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012003480 556680221 /nfs/dbraw/zinc/68/02/21/556680221.db2.gz YHQVTUBJQWRPNQ-GFCCVEGCSA-N 0 0 434.923 1.056 50 0 IDAARN CN(C(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000012003589 556680241 /nfs/dbraw/zinc/68/02/41/556680241.db2.gz GVNOIUWMBRFGPM-LBPRGKRZSA-N 0 0 448.950 1.302 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245255041 556683937 /nfs/dbraw/zinc/68/39/37/556683937.db2.gz DYDVOMCBBZHTHK-RDJZCZTQSA-N 0 0 446.529 1.791 50 0 IDAARN CCOC(=O)[C@@H]1C([O-])=NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000018156317 556685530 /nfs/dbraw/zinc/68/55/30/556685530.db2.gz SJESSGVYNYILGY-VQTJNVASSA-N 0 0 437.500 1.619 50 0 IDAARN O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021205 556685746 /nfs/dbraw/zinc/68/57/46/556685746.db2.gz UHPCNMQBCOWRRR-KRWDZBQOSA-N 0 0 443.525 1.777 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000010631957 556686315 /nfs/dbraw/zinc/68/63/15/556686315.db2.gz NJZJPHWZCWDYHS-IAGOWNOFSA-N 0 0 445.447 1.107 50 0 IDAARN COc1cccc(NC(=O)COc2ccc(C(=O)N3CC[C@H](OCC(N)=O)C3)cc2)c1 ZINC000072312703 556687960 /nfs/dbraw/zinc/68/79/60/556687960.db2.gz WXYPUDIJWPBKAF-IBGZPJMESA-N 0 0 427.457 1.429 50 0 IDAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2OCc2noc(C)n2)cc1 ZINC000022987611 556689026 /nfs/dbraw/zinc/68/90/26/556689026.db2.gz GXLLDBCHVLDTDD-UHFFFAOYSA-N 0 0 446.485 1.674 50 0 IDAARN COc1cccc(CN(CCS(=O)(=O)N2CCNCC2)C(=O)c2ccccc2C)c1 ZINC000046140910 556691817 /nfs/dbraw/zinc/69/18/17/556691817.db2.gz CNGNIDSEWCGHMI-UHFFFAOYSA-N 0 0 431.558 1.881 50 0 IDAARN COc1ccc(F)cc1S(=O)(=O)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000252584783 556691944 /nfs/dbraw/zinc/69/19/44/556691944.db2.gz CVMAYOSONJURLB-KRWDZBQOSA-N 0 0 425.526 1.542 50 0 IDAARN CC(C)OCCCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000046141007 556692177 /nfs/dbraw/zinc/69/21/77/556692177.db2.gz DAWMVNNFFCIKJC-UHFFFAOYSA-N 0 0 431.986 1.832 50 0 IDAARN COCCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCc3ccco3)ccc21 ZINC000033023637 556693562 /nfs/dbraw/zinc/69/35/62/556693562.db2.gz SIYDJAQLZPSXLH-IBGZPJMESA-N 0 0 447.517 1.530 50 0 IDAARN CCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033024663 556696659 /nfs/dbraw/zinc/69/66/59/556696659.db2.gz IDPJBTRONFINKC-UHFFFAOYSA-N 0 0 445.501 1.898 50 0 IDAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292224 556696775 /nfs/dbraw/zinc/69/67/75/556696775.db2.gz DFHCCZMCAHMXRI-HXUWFJFHSA-N 0 0 441.619 1.296 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033026451 556703230 /nfs/dbraw/zinc/70/32/30/556703230.db2.gz PCXBIFLGMDLIDL-UHFFFAOYSA-N 0 0 429.495 1.383 50 0 IDAARN O=C(Nc1ccc(F)cc1)C1=C(NCCN2CCOCC2)c2ccccc2S1(=O)=O ZINC000033026598 556703276 /nfs/dbraw/zinc/70/32/76/556703276.db2.gz ZJHNOYOGIBCWTH-UHFFFAOYSA-N 0 0 431.489 1.842 50 0 IDAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC(C)(C)N1CCOCC1 ZINC000033026716 556703520 /nfs/dbraw/zinc/70/35/20/556703520.db2.gz OWNOHOKJKUFTBZ-SFHVURJKSA-N 0 0 443.635 1.622 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 ZINC000033026913 556703742 /nfs/dbraw/zinc/70/37/42/556703742.db2.gz QCSGIUPKAVSNTO-UHFFFAOYSA-N 0 0 434.518 1.945 50 0 IDAARN O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000033028363 556708915 /nfs/dbraw/zinc/70/89/15/556708915.db2.gz UNJLJSKVYUROJF-GOSISDBHSA-N 0 0 446.573 1.171 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000019211524 556709200 /nfs/dbraw/zinc/70/92/00/556709200.db2.gz XQIQRUSPSNHALZ-JOCHJYFZSA-N 0 0 429.542 1.859 50 0 IDAARN CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3)[C@@H]1CCS(=O)(=O)C1 ZINC000011124991 556710108 /nfs/dbraw/zinc/71/01/08/556710108.db2.gz RYYBIUVQKSAPRA-LLVKDONJSA-N 0 0 441.600 1.611 50 0 IDAARN COC(=O)c1ccc(NCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000011125816 556710416 /nfs/dbraw/zinc/71/04/16/556710416.db2.gz OIDPNHBZTFHZRK-UHFFFAOYSA-N 0 0 435.477 1.557 50 0 IDAARN COCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(C)C ZINC000036065247 556710449 /nfs/dbraw/zinc/71/04/49/556710449.db2.gz BFQPTPWIXQGAGP-UHFFFAOYSA-N 0 0 441.532 1.684 50 0 IDAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000013692239 556711656 /nfs/dbraw/zinc/71/16/56/556711656.db2.gz GEUADDACMQBGLF-UYSNPLJNSA-N 0 0 444.575 1.083 50 0 IDAARN O=C(c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2cccs2)c1)N1CCOCC1 ZINC000033033304 556714086 /nfs/dbraw/zinc/71/40/86/556714086.db2.gz NOKOEPHOVQTZSD-UHFFFAOYSA-N 0 0 436.559 1.431 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)N1CCN(Cc2ccccn2)CC1 ZINC000019224184 556716559 /nfs/dbraw/zinc/71/65/59/556716559.db2.gz QQOTZYYOGIUPQS-HSZRJFAPSA-N 0 0 435.572 1.549 50 0 IDAARN O=C(CC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1)N1CCN(Cc2ccccc2)CC1 ZINC000019228873 556717865 /nfs/dbraw/zinc/71/78/65/556717865.db2.gz BYBNXZSYTMYIBN-OAQYLSRUSA-N 0 0 442.560 1.802 50 0 IDAARN COc1ccc(NC(=O)COc2coc(CN3CCC[C@@H]3C(N)=O)cc2=O)cc1Cl ZINC000061718658 556725201 /nfs/dbraw/zinc/72/52/01/556725201.db2.gz AANVWKGYODNWFN-OAHLLOKOSA-N 0 0 435.864 1.769 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)CC1 ZINC000061719116 556726017 /nfs/dbraw/zinc/72/60/17/556726017.db2.gz QEGSJBPORQKLEK-UHFFFAOYSA-N 0 0 425.533 1.837 50 0 IDAARN COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCC(C)(C)N3CCOCC3)n2)c1 ZINC000061719247 556726078 /nfs/dbraw/zinc/72/60/78/556726078.db2.gz AVKUELGATBROLW-UHFFFAOYSA-N 0 0 436.896 1.941 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1 ZINC000072329673 556727397 /nfs/dbraw/zinc/72/73/97/556727397.db2.gz JOKDIGWPAFJDRE-UHFFFAOYSA-N 0 0 440.460 1.364 50 0 IDAARN O=C([O-])[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCN(c2ccccn2)CC1 ZINC000061721726 556730092 /nfs/dbraw/zinc/73/00/92/556730092.db2.gz PKYPCWNBUAQACD-INIZCTEOSA-N 0 0 426.473 1.704 50 0 IDAARN CCCCNC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072331995 556731009 /nfs/dbraw/zinc/73/10/09/556731009.db2.gz WFWGAMSNVWGBHQ-UHFFFAOYSA-N 0 0 440.500 1.885 50 0 IDAARN CC[C@@H]1C(=O)NCCN1Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC ZINC000055042641 556732679 /nfs/dbraw/zinc/73/26/79/556732679.db2.gz MTYCVBDOPNEVTM-GOSISDBHSA-N 0 0 426.583 1.736 50 0 IDAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCn2c3ccccc3[nH]c2=O)C(C)C)c1 ZINC000079022703 556737653 /nfs/dbraw/zinc/73/76/53/556737653.db2.gz BDMVSAWNYNRIGO-FQEVSTJZSA-N 0 0 440.500 1.918 50 0 IDAARN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000079069543 556738044 /nfs/dbraw/zinc/73/80/44/556738044.db2.gz LLFGYPFXQRQGRW-UONOGXRCSA-N 0 0 433.368 1.696 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000033047792 556743223 /nfs/dbraw/zinc/74/32/23/556743223.db2.gz ARXRPRBRWWIVRX-OAHLLOKOSA-N 0 0 427.500 1.834 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000005225424 556744639 /nfs/dbraw/zinc/74/46/39/556744639.db2.gz KPZYVPPKTWSIGA-SFHVURJKSA-N 0 0 433.486 1.270 50 0 biogenic IDAARN O=CN[C@H](N1CCN([C@@H](NC=O)C(Cl)(Cl)Cl)CC1)C(Cl)(Cl)Cl ZINC000019364241 556746118 /nfs/dbraw/zinc/74/61/18/556746118.db2.gz RROQIUMZODEXOR-HTQZYQBOSA-N 0 0 434.966 1.489 50 0 in-vitro IDAARN Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)n(CC(N)=O)c2c(=O)n(C)c1=O ZINC000057395467 556747378 /nfs/dbraw/zinc/74/73/78/556747378.db2.gz GYUXDHAMGNJMAY-UHFFFAOYSA-N 0 0 446.511 1.121 50 0 IDAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(CCO)CC1 ZINC000019372316 556748666 /nfs/dbraw/zinc/74/86/66/556748666.db2.gz ZFAJANQWHDXMOS-UHFFFAOYSA-N 0 0 439.310 1.265 50 0 IDAARN COCCn1cnc2c1c(=O)n(CC(=O)NCCC(C)C)c(=O)n2Cc1ccccc1 ZINC000011155005 556752055 /nfs/dbraw/zinc/75/20/55/556752055.db2.gz VEBHGDVXKZNNFK-UHFFFAOYSA-N 0 0 427.505 1.217 50 0 IDAARN COc1cc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccco3)CC2=O)cc(OC)c1OC ZINC000058052965 556755674 /nfs/dbraw/zinc/75/56/74/556755674.db2.gz ZHFLAFYRDBLNSG-KBPBESRZSA-N 0 0 445.472 1.479 50 0 IDAARN NC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000058061732 556756053 /nfs/dbraw/zinc/75/60/53/556756053.db2.gz ONPAKOWCSURTJY-KRWDZBQOSA-N 0 0 432.502 1.565 50 0 IDAARN Nc1cc(CCCNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)nn1-c1ccccc1 ZINC000058101274 556758193 /nfs/dbraw/zinc/75/81/93/556758193.db2.gz LFUSDNWTPCJCNP-UHFFFAOYSA-N 0 0 426.502 1.001 50 0 IDAARN C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C[C@@H](O)c2ccc3c(c2)OCO3)C1=O ZINC000058105568 556758466 /nfs/dbraw/zinc/75/84/66/556758466.db2.gz DTFADJSNGLVDLA-QRWLVFNGSA-N 0 0 432.454 1.319 50 0 IDAARN Cc1cccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C(=O)N1CCCC1 ZINC000058129448 556759890 /nfs/dbraw/zinc/75/98/90/556759890.db2.gz AMHJISQJCSMRSW-HOTGVXAUSA-N 0 0 433.530 1.205 50 0 IDAARN CCOC(=O)[C@@H](CNS(=O)(=O)c1cc(NC(C)=O)ccc1OC)Cc1cccnc1 ZINC000058154186 556762177 /nfs/dbraw/zinc/76/21/77/556762177.db2.gz VMXBRJRFYBRVNS-MRXNPFEDSA-N 0 0 435.502 1.749 50 0 IDAARN C[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000061984092 556763409 /nfs/dbraw/zinc/76/34/09/556763409.db2.gz XNNCFLDMFTWHAO-AWEZNQCLSA-N 0 0 446.554 1.614 50 0 IDAARN O=C(Nc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)c1)c1ccco1 ZINC000058218542 556773243 /nfs/dbraw/zinc/77/32/43/556773243.db2.gz OSOODBQNWGJYHG-QZTJIDSGSA-N 0 0 431.514 1.913 50 0 IDAARN O=C(Nc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)c1)c1ccco1 ZINC000058218541 556773270 /nfs/dbraw/zinc/77/32/70/556773270.db2.gz OSOODBQNWGJYHG-ROUUACIJSA-N 0 0 431.514 1.913 50 0 IDAARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000058224645 556773554 /nfs/dbraw/zinc/77/35/54/556773554.db2.gz JZOJMRRCSHYJRA-CYBMUJFWSA-N 0 0 433.472 1.518 50 0 IDAARN CN(C)C(=O)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000058307603 556779301 /nfs/dbraw/zinc/77/93/01/556779301.db2.gz XSRVFCHXGFDYOQ-LJQANCHMSA-N 0 0 446.529 1.659 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)CC2=O)cc1 ZINC000058310583 556779873 /nfs/dbraw/zinc/77/98/73/556779873.db2.gz SXZRMSDITPBFMA-SFHVURJKSA-N 0 0 445.523 1.929 50 0 IDAARN O=C(CNC(=O)CN1CCN(c2nc3cccnc3s2)CC1)Nc1ccc(F)c(F)c1 ZINC000058344055 556782072 /nfs/dbraw/zinc/78/20/72/556782072.db2.gz PERGRCXRIJVLJE-UHFFFAOYSA-N 0 0 446.483 1.846 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000058420238 556787364 /nfs/dbraw/zinc/78/73/64/556787364.db2.gz XRNVDAYDBFUKLX-UHFFFAOYSA-N 0 0 437.924 1.720 50 0 IDAARN Cc1cccc(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 ZINC000096380845 556790224 /nfs/dbraw/zinc/79/02/24/556790224.db2.gz RHQKEQRZLPCETR-UHFFFAOYSA-N 0 0 442.946 1.611 50 0 IDAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2=O)cc1 ZINC000059405492 556799766 /nfs/dbraw/zinc/79/97/66/556799766.db2.gz PYCKJUJWKZZJLD-DEOSSOPVSA-N 0 0 440.544 1.832 50 0 IDAARN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(N3CCNC3=O)CC2)c1 ZINC000059784765 556804484 /nfs/dbraw/zinc/80/44/84/556804484.db2.gz VOWIKRXYOKIUIL-UHFFFAOYSA-N 0 0 442.969 1.999 50 0 IDAARN O=C(Cn1c(=O)onc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000060106921 556806661 /nfs/dbraw/zinc/80/66/61/556806661.db2.gz MTHPUIFHIXXEQF-UHFFFAOYSA-N 0 0 428.470 1.036 50 0 IDAARN CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000003314637 556809655 /nfs/dbraw/zinc/80/96/55/556809655.db2.gz JUYBZAGAKHKOMW-UHFFFAOYSA-N 0 0 447.513 1.569 50 0 IDAARN CCN(C(=O)COc1ncnc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000003421473 556814887 /nfs/dbraw/zinc/81/48/87/556814887.db2.gz IHURHSKNNJOPSX-GFCCVEGCSA-N 0 0 428.308 1.807 50 0 IDAARN COc1ccc(CN2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)c(OC)c1OC ZINC000206645548 556825272 /nfs/dbraw/zinc/82/52/72/556825272.db2.gz UYHDETJUEGICDM-UHFFFAOYSA-N 0 0 441.488 1.315 50 0 IDAARN Cn1nc(C(=O)N2CCOCC2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000064893432 556828530 /nfs/dbraw/zinc/82/85/30/556828530.db2.gz FIUGUUOWHNLLPL-UHFFFAOYSA-N 0 0 430.939 1.354 50 0 IDAARN COC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Cl ZINC000019630798 556832315 /nfs/dbraw/zinc/83/23/15/556832315.db2.gz NUMDPCOLICRBPO-UHFFFAOYSA-N 0 0 439.925 1.818 50 0 IDAARN Cc1nn(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000019632483 556833421 /nfs/dbraw/zinc/83/34/21/556833421.db2.gz XKMKVMSTIQFVFS-UHFFFAOYSA-N 0 0 440.591 1.721 50 0 IDAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)C(=O)N2CCN(C)CC2)cc1 ZINC000022996731 556839159 /nfs/dbraw/zinc/83/91/59/556839159.db2.gz YOLLIKLWLUGBMP-UHFFFAOYSA-N 0 0 444.557 1.670 50 0 IDAARN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)CC1 ZINC000067604720 556843924 /nfs/dbraw/zinc/84/39/24/556843924.db2.gz MLPIVOHNCNTFTB-UHFFFAOYSA-N 0 0 428.514 1.363 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1 ZINC000067604745 556843950 /nfs/dbraw/zinc/84/39/50/556843950.db2.gz FMLWDICGKPBWBI-UHFFFAOYSA-N 0 0 428.518 1.880 50 0 IDAARN CS(=O)(=O)N(Cc1ccc(C(=O)NCCN2CCOCC2)cc1)c1ccccc1F ZINC000067630244 556845060 /nfs/dbraw/zinc/84/50/60/556845060.db2.gz BFJGAHPTOCUVES-UHFFFAOYSA-N 0 0 435.521 1.854 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN2CCCN(Cc3cccc(OC)c3)S2(=O)=O)cc1 ZINC000096834600 556847197 /nfs/dbraw/zinc/84/71/97/556847197.db2.gz CTAHRTLVVGUJAI-UHFFFAOYSA-N 0 0 447.513 1.873 50 0 IDAARN CCOC(=O)CNC(=O)N1CCN(Cc2nc3cc(C(=O)N(CC)CC)ccc3o2)CC1 ZINC000033127460 556867686 /nfs/dbraw/zinc/86/76/86/556867686.db2.gz WGXMBMVRGWQTSG-UHFFFAOYSA-N 0 0 445.520 1.700 50 0 IDAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4nc[nH]c(=O)c4s3)C2)cc1OC ZINC000033141065 556876902 /nfs/dbraw/zinc/87/69/02/556876902.db2.gz HBWZAFFAYPDVSN-CYBMUJFWSA-N 0 0 429.502 1.930 50 0 IDAARN CCCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCC4)c(=O)c3s2)C1 ZINC000033141363 556877748 /nfs/dbraw/zinc/87/77/48/556877748.db2.gz VAKZVBKIRMFYMD-CQSZACIVSA-N 0 0 446.577 1.654 50 0 IDAARN CC[C@@H](C)NC(=O)Cn1cnc2nc(N3CCC[C@@H](C(=O)NC(C)C)C3)sc2c1=O ZINC000033141451 556877760 /nfs/dbraw/zinc/87/77/60/556877760.db2.gz LVBWXAZOVIHPIN-ZIAGYGMSSA-N 0 0 434.566 1.509 50 0 IDAARN CC(C)NC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCC4)c(=O)c3s2)C1 ZINC000033141445 556877795 /nfs/dbraw/zinc/87/77/95/556877795.db2.gz MSLUKDQSAZXLFV-CQSZACIVSA-N 0 0 446.577 1.653 50 0 IDAARN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCN1CCOCC1 ZINC000033254680 556890991 /nfs/dbraw/zinc/89/09/91/556890991.db2.gz XZPLZOAOMDIJFC-UHFFFAOYSA-N 0 0 429.970 1.579 50 0 IDAARN Cn1c(=O)c(N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)nc2cccnc21 ZINC000033259536 556894486 /nfs/dbraw/zinc/89/44/86/556894486.db2.gz VOPMLTAOKYCLEY-HXUWFJFHSA-N 0 0 446.555 1.889 50 0 IDAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000072115408 556897898 /nfs/dbraw/zinc/89/78/98/556897898.db2.gz XRFZHCNCQPGTPT-UHFFFAOYSA-N 0 0 426.477 1.439 50 0 IDAARN O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000072139313 556899378 /nfs/dbraw/zinc/89/93/78/556899378.db2.gz ZPHMXUBRPLQPEC-UHFFFAOYSA-N 0 0 426.498 1.823 50 0 IDAARN CCS(=O)(=O)c1ncc(CN2CCN(c3cnccn3)CC2)n1Cc1ccccc1 ZINC000019789332 556914522 /nfs/dbraw/zinc/91/45/22/556914522.db2.gz QCXQCJFQAWKQCF-UHFFFAOYSA-N 0 0 426.546 1.837 50 0 IDAARN Cc1ccc(OC2CCN(C(=O)CCCn3nnnc3CN3CCOCC3)CC2)cc1 ZINC000019794889 556915976 /nfs/dbraw/zinc/91/59/76/556915976.db2.gz UBNSSJNUZKFBLP-UHFFFAOYSA-N 0 0 428.537 1.664 50 0 IDAARN COc1ccc(OC)c(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000019800277 556917414 /nfs/dbraw/zinc/91/74/14/556917414.db2.gz VYKLIEIBTDEGCC-UHFFFAOYSA-N 0 0 447.557 1.814 50 0 IDAARN COc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1OC ZINC000019800504 556917490 /nfs/dbraw/zinc/91/74/90/556917490.db2.gz MQOVOVMFNUZMQC-UHFFFAOYSA-N 0 0 447.557 1.814 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000019810512 556918909 /nfs/dbraw/zinc/91/89/09/556918909.db2.gz PNYSOBLRVXGMBX-UHFFFAOYSA-N 0 0 445.541 1.792 50 0 IDAARN CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCC3(CC2)OCCO3)cc1 ZINC000019820961 556924124 /nfs/dbraw/zinc/92/41/24/556924124.db2.gz RDPMIBMNKRHKNC-ROUUACIJSA-N 0 0 429.560 1.027 50 0 IDAARN CCc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000019831124 556926522 /nfs/dbraw/zinc/92/65/22/556926522.db2.gz XNIIIRAOAOOLIN-UHFFFAOYSA-N 0 0 444.557 1.310 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1C ZINC000019834691 556927726 /nfs/dbraw/zinc/92/77/26/556927726.db2.gz CAWMMQNAHJXZAB-UHFFFAOYSA-N 0 0 432.424 1.736 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861128 556933703 /nfs/dbraw/zinc/93/37/03/556933703.db2.gz LFLVOAOHSQKRDD-GOSISDBHSA-N 0 0 443.997 1.720 50 0 IDAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000019891445 556939561 /nfs/dbraw/zinc/93/95/61/556939561.db2.gz XHINWMJGDYTIFM-ZWKOTPCHSA-N 0 0 427.457 1.057 50 0 IDAARN CCN1c2ccccc2N2C1=CC(C(=O)OC)=C(C(=O)OC)[C@H](C(=O)OC)[C@H]2C(=O)OC ZINC000019908664 556942743 /nfs/dbraw/zinc/94/27/43/556942743.db2.gz GWVBVFNYYYURBA-ROUUACIJSA-N 0 0 444.440 1.161 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 ZINC000019924128 556944214 /nfs/dbraw/zinc/94/42/14/556944214.db2.gz VQVXDMWPSKIOKJ-UHFFFAOYSA-N 0 0 429.506 1.628 50 0 IDAARN CCOc1ccc(OCC)c(S(=O)(=O)NCCNc2ccc(-n3cccn3)nn2)c1 ZINC000019924324 556944264 /nfs/dbraw/zinc/94/42/64/556944264.db2.gz WFEWNKVGKKHSDF-UHFFFAOYSA-N 0 0 432.506 1.850 50 0 IDAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CCOCC3)C2=O)c(OC)c1 ZINC000019991124 556957060 /nfs/dbraw/zinc/95/70/60/556957060.db2.gz ANDIZKBGTDWHGY-HSZRJFAPSA-N 0 0 426.469 1.801 50 0 IDAARN COc1ccc([C@H]2N(C(=O)CN3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000020036173 556970217 /nfs/dbraw/zinc/97/02/17/556970217.db2.gz JOMKDFCGWWTYSO-QFIPXVFZSA-N 0 0 445.541 1.559 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc(F)cc4)CC3)C2)cn1 ZINC000020045142 556972899 /nfs/dbraw/zinc/97/28/99/556972899.db2.gz KOIPFLAJWXBPEP-GOSISDBHSA-N 0 0 449.552 1.304 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NC(C)=O ZINC000020051976 556975091 /nfs/dbraw/zinc/97/50/91/556975091.db2.gz AQGDJDCKYKSHRJ-UHFFFAOYSA-N 0 0 447.513 1.889 50 0 IDAARN COc1ccc(F)cc1S(=O)(=O)N1CCCN([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097087374 556983193 /nfs/dbraw/zinc/98/31/93/556983193.db2.gz CVMAYOSONJURLB-QGZVFWFLSA-N 0 0 425.526 1.542 50 0 IDAARN Cc1ccccc1-c1noc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 ZINC000023042881 556985629 /nfs/dbraw/zinc/98/56/29/556985629.db2.gz PRKLDSPRNXGLLD-ZDUSSCGKSA-N 0 0 432.458 1.254 50 0 IDAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1OC ZINC000020131178 556987704 /nfs/dbraw/zinc/98/77/04/556987704.db2.gz DJUHLCLAQVXCJB-QAETUUGQSA-N 0 0 444.415 1.755 50 0 IDAARN COCc1c(C(=O)NCCN2CCOCC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000020137003 556988318 /nfs/dbraw/zinc/98/83/18/556988318.db2.gz DZIVFKKRGUPADK-UHFFFAOYSA-N 0 0 440.479 1.677 50 0 IDAARN O=C(CNC(=O)c1cccc(O)c1)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000097165554 556994601 /nfs/dbraw/zinc/99/46/01/556994601.db2.gz MMHASOHKDZKYOI-UHFFFAOYSA-N 0 0 440.456 1.042 50 0 IDAARN CCOc1ccc(CCC2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000010675698 556995688 /nfs/dbraw/zinc/99/56/88/556995688.db2.gz KDCLMHVUPNDMBS-UHFFFAOYSA-N 0 0 435.546 1.516 50 0 IDAARN COc1ccccc1CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000011242681 556996776 /nfs/dbraw/zinc/99/67/76/556996776.db2.gz JDKGVESIIJZDNA-UHFFFAOYSA-N 0 0 446.525 1.956 50 0 IDAARN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)NCCc3ccccc3)=C2)c1 ZINC000020219958 557000390 /nfs/dbraw/zinc/00/03/90/557000390.db2.gz ABELONKLXDCBFI-UHFFFAOYSA-N 0 0 429.498 1.926 50 0 biogenic IDAARN COc1cc(C(=O)NCC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc(OC)c1OC ZINC000023100444 557000712 /nfs/dbraw/zinc/00/07/12/557000712.db2.gz OVEOMLTZVHSGDZ-UHFFFAOYSA-N 0 0 441.484 1.732 50 0 IDAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000020294819 557006319 /nfs/dbraw/zinc/00/63/19/557006319.db2.gz ROFCFJIHGZRUGX-LJQANCHMSA-N 0 0 426.517 1.871 50 0 IDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccccc2)cc1C ZINC000020407006 557013681 /nfs/dbraw/zinc/01/36/81/557013681.db2.gz CAWWEIFPNHOZKQ-UHFFFAOYSA-N 0 0 431.558 1.969 50 0 IDAARN O=C(C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12 ZINC000023134447 557017287 /nfs/dbraw/zinc/01/72/87/557017287.db2.gz KHFZJFMZXSODKV-UHFFFAOYSA-N 0 0 433.447 1.810 50 0 IDAARN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023134405 557017312 /nfs/dbraw/zinc/01/73/12/557017312.db2.gz IFPAQSZAMDVBJO-WAPJZHGLSA-N 0 0 436.447 1.888 50 0 IDAARN O=C(COc1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 ZINC000023134772 557017629 /nfs/dbraw/zinc/01/76/29/557017629.db2.gz DGVFLZUALIBEBY-UHFFFAOYSA-N 0 0 432.406 1.803 50 0 IDAARN CCOc1ccc(CC(=O)N2CCN(c3nnc(SCC(=O)NC)s3)CC2)cc1 ZINC000023141761 557023518 /nfs/dbraw/zinc/02/35/18/557023518.db2.gz IXGPWUFUAGGCGP-UHFFFAOYSA-N 0 0 435.575 1.666 50 0 IDAARN CCn1c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=O ZINC000010750822 557024375 /nfs/dbraw/zinc/02/43/75/557024375.db2.gz FYYQZPHYSJNRDB-UHFFFAOYSA-N 0 0 446.504 1.495 50 0 IDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000010791665 557027273 /nfs/dbraw/zinc/02/72/73/557027273.db2.gz ZPARLTJTRPRCDL-ZDUSSCGKSA-N 0 0 434.470 1.527 50 0 IDAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NCc1ccco1 ZINC000010794299 557027280 /nfs/dbraw/zinc/02/72/80/557027280.db2.gz NPPYZXSNHMNESP-UHFFFAOYSA-N 0 0 442.877 1.427 50 0 IDAARN Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)no1 ZINC000011279974 557034479 /nfs/dbraw/zinc/03/44/79/557034479.db2.gz COSSQTNEUKVXLV-UONOGXRCSA-N 0 0 446.485 1.714 50 0 IDAARN COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C)cc1 ZINC000046086785 557035914 /nfs/dbraw/zinc/03/59/14/557035914.db2.gz IMHVERDXLNBNCL-LJQANCHMSA-N 0 0 425.485 1.132 50 0 IDAARN O=C(CSc1ncccn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000010861593 557045498 /nfs/dbraw/zinc/04/54/98/557045498.db2.gz IFJZOQVYEPIKSC-UHFFFAOYSA-N 0 0 428.923 1.882 50 0 IDAARN O=S1(=O)CCN(C[C@@H]2CCCO2)c2c(OCCN3CCOCC3)nc(F)c(Cl)c21 ZINC000024615122 557045741 /nfs/dbraw/zinc/04/57/41/557045741.db2.gz JMRYNKDADBWZNS-ZDUSSCGKSA-N 0 0 449.932 1.358 50 0 IDAARN O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000022920095 557047012 /nfs/dbraw/zinc/04/70/12/557047012.db2.gz GNAJRYCDMFBJJX-GHTZIAJQSA-N 0 0 433.599 1.758 50 0 IDAARN O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000022920081 557047073 /nfs/dbraw/zinc/04/70/73/557047073.db2.gz GNAJRYCDMFBJJX-NQIIRXRSSA-N 0 0 433.599 1.758 50 0 IDAARN O=C(CN1CCN(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1)NC1CC1 ZINC000022928604 557048926 /nfs/dbraw/zinc/04/89/26/557048926.db2.gz BEFDUDPVIWUZTF-UHFFFAOYSA-N 0 0 447.539 1.336 50 0 IDAARN C[C@@H]1CC(=O)c2cnc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2C1 ZINC000022927897 557048986 /nfs/dbraw/zinc/04/89/86/557048986.db2.gz LCKBIOSBTNXEBZ-HNNXBMFYSA-N 0 0 437.500 1.727 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000048261361 557049549 /nfs/dbraw/zinc/04/95/49/557049549.db2.gz LXVLOQDGJMLKST-SFHVURJKSA-N 0 0 436.578 1.626 50 0 IDAARN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000048263159 557050157 /nfs/dbraw/zinc/05/01/57/557050157.db2.gz HHLODEMWRQMQQM-QGZVFWFLSA-N 0 0 447.513 1.394 50 0 IDAARN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000048263161 557050186 /nfs/dbraw/zinc/05/01/86/557050186.db2.gz HHLODEMWRQMQQM-KRWDZBQOSA-N 0 0 447.513 1.394 50 0 IDAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000022932429 557050638 /nfs/dbraw/zinc/05/06/38/557050638.db2.gz MNNIHBABQIEQMZ-UHFFFAOYSA-N 0 0 429.565 1.674 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000017301849 557050849 /nfs/dbraw/zinc/05/08/49/557050849.db2.gz HJIMVVDTVRYFMQ-UHFFFAOYSA-N 0 0 433.486 1.814 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2(C(=O)OC)CCC(C)CC2)c1 ZINC000048287251 557052780 /nfs/dbraw/zinc/05/27/80/557052780.db2.gz KXZXOFMRUCVDSC-UHFFFAOYSA-N 0 0 441.550 1.117 50 0 IDAARN Cc1cc(N2CCOCC2)ccc1NC(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000048275813 557055974 /nfs/dbraw/zinc/05/59/74/557055974.db2.gz UDWQPURBYUTZNA-IAGOWNOFSA-N 0 0 440.566 1.392 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000048275430 557056060 /nfs/dbraw/zinc/05/60/60/557056060.db2.gz LMBFSRNAEPWRPU-KRWDZBQOSA-N 0 0 447.532 1.832 50 0 IDAARN COc1cccc(C(=O)Nc2cc3c(cc2S(=O)(=O)C(C)C)n(C)c(=O)c(=O)n3C)c1 ZINC000033276914 557057498 /nfs/dbraw/zinc/05/74/98/557057498.db2.gz ZDPYEIMYBAOBMW-UHFFFAOYSA-N 0 0 445.497 1.680 50 0 IDAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)c2)no1 ZINC000033279223 557059909 /nfs/dbraw/zinc/05/99/09/557059909.db2.gz UPKPVDSFNONOHO-CQSZACIVSA-N 0 0 439.563 1.281 50 0 IDAARN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000048311098 557060905 /nfs/dbraw/zinc/06/09/05/557060905.db2.gz JRJVVQPSPDEORS-KRWDZBQOSA-N 0 0 443.483 1.275 50 0 IDAARN COc1cccc(Cn2nc3n(c4cn(C)nc4c(=O)n3Cc3ccc(C)cc3)c2=O)c1 ZINC000033280882 557063209 /nfs/dbraw/zinc/06/32/09/557063209.db2.gz MHJBHQZPOZSJHJ-UHFFFAOYSA-N 0 0 430.468 1.958 50 0 IDAARN CC(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000048302400 557063337 /nfs/dbraw/zinc/06/33/37/557063337.db2.gz OIYJKMYIZBAZKP-IYBDPMFKSA-N 0 0 437.562 1.473 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)CCn2cnc3ccccc32)CC1)Nc1cccc(F)c1 ZINC000048302471 557063674 /nfs/dbraw/zinc/06/36/74/557063674.db2.gz MMCGRKRKAHNWTM-UHFFFAOYSA-N 0 0 445.520 1.762 50 0 IDAARN COC(=O)[C@H](CNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)Cc1ccc(F)cc1 ZINC000048302606 557064033 /nfs/dbraw/zinc/06/40/33/557064033.db2.gz PMTOXNFXZUNXHI-INIZCTEOSA-N 0 0 433.480 1.871 50 0 IDAARN COC(=O)c1cc(Cl)c(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1OC ZINC000048324121 557065011 /nfs/dbraw/zinc/06/50/11/557065011.db2.gz ZJLYNXWNFAVPQC-SUMWQHHRSA-N 0 0 441.912 1.994 50 0 IDAARN COC(=O)CCC(=O)N1CCC[C@H](c2nc(SCCN3CCOCC3)ncc2C)C1 ZINC000023129189 557066335 /nfs/dbraw/zinc/06/63/35/557066335.db2.gz BYUNITNJZXWHOE-KRWDZBQOSA-N 0 0 436.578 1.869 50 0 IDAARN O=C(NCCCCOc1ccc(F)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000023133625 557066808 /nfs/dbraw/zinc/06/68/08/557066808.db2.gz PRXMYUZCAAUXGR-OAHLLOKOSA-N 0 0 425.482 1.266 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN1C(=O)COc2ccccc21 ZINC000017345252 557066999 /nfs/dbraw/zinc/06/69/99/557066999.db2.gz XVFBIOQXEHNYJI-UHFFFAOYSA-N 0 0 433.486 1.700 50 0 IDAARN CNS(=O)(=O)c1cccc(CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 ZINC000048331761 557069528 /nfs/dbraw/zinc/06/95/28/557069528.db2.gz WYOUZAFFEJBSOA-UHFFFAOYSA-N 0 0 427.486 1.521 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)cc1 ZINC000023186807 557071781 /nfs/dbraw/zinc/07/17/81/557071781.db2.gz RHUPJUVTQBCYDU-SFHVURJKSA-N 0 0 443.591 1.078 50 0 IDAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)cn2)n1 ZINC000048345483 557071974 /nfs/dbraw/zinc/07/19/74/557071974.db2.gz FDMITJRCESJHJD-UHFFFAOYSA-N 0 0 445.501 1.428 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)CNC(=O)[C@H]3C[C@H]3C)c2)cc1 ZINC000023190421 557072250 /nfs/dbraw/zinc/07/22/50/557072250.db2.gz VOPXWRMELMSDCT-WBMJQRKESA-N 0 0 433.486 1.912 50 0 IDAARN CSc1nn(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(=S)s1 ZINC000023195149 557072663 /nfs/dbraw/zinc/07/26/63/557072663.db2.gz LCBGTPITWLLTPB-VXGBXAGGSA-N 0 0 439.654 1.325 50 0 IDAARN CN1CCCN(C(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c2nc3ccccc3nc21 ZINC000017364688 557074344 /nfs/dbraw/zinc/07/43/44/557074344.db2.gz WGTJFJKXSCZPEP-UHFFFAOYSA-N 0 0 443.467 1.312 50 0 IDAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023249374 557078335 /nfs/dbraw/zinc/07/83/35/557078335.db2.gz HNRNZCSISRYSEH-HZPDHXFCSA-N 0 0 436.603 1.620 50 0 IDAARN Cc1cc(C)n2nc(CCCOC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]34)nc2n1 ZINC000097159656 557079358 /nfs/dbraw/zinc/07/93/58/557079358.db2.gz WARUIXUUULAOHA-VKJFTORMSA-N 0 0 432.550 1.943 50 0 IDAARN O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000023339531 557085737 /nfs/dbraw/zinc/08/57/37/557085737.db2.gz FWRBGAQNKFRRBI-OALUTQOASA-N 0 0 428.514 1.384 50 0 IDAARN O=C(CC[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000023379645 557088720 /nfs/dbraw/zinc/08/87/20/557088720.db2.gz OIJZZXUHCIHVMO-FQEVSTJZSA-N 0 0 425.537 1.036 50 0 IDAARN Cn1ncc2c1ncnc2N1CCN(C(=O)CSCC(=O)Nc2ccc(F)cc2)CC1 ZINC000023461781 557093138 /nfs/dbraw/zinc/09/31/38/557093138.db2.gz DZEFAEGUAJVPMP-UHFFFAOYSA-N 0 0 443.508 1.523 50 0 IDAARN COc1ccccc1CNC(=O)Cn1nc2c(N3CCc4ccccc4C3)nccn2c1=O ZINC000049399995 557095540 /nfs/dbraw/zinc/09/55/40/557095540.db2.gz UVNPJOXVKLMNFV-UHFFFAOYSA-N 0 0 444.495 1.779 50 0 IDAARN CN(C)c1nc(N)nc(COC(=O)CCn2cnc3ccc(Br)cc3c2=O)n1 ZINC000023516200 557095665 /nfs/dbraw/zinc/09/56/65/557095665.db2.gz IFEHWGMRNKYSNZ-UHFFFAOYSA-N 0 0 448.281 1.126 50 0 IDAARN Cc1ccc(NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)c(C)c1 ZINC000023551303 557097791 /nfs/dbraw/zinc/09/77/91/557097791.db2.gz PADGHSGPJWERIS-UHFFFAOYSA-N 0 0 437.449 1.612 50 0 IDAARN Cc1c(Cl)cccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(N)=O)c1=O ZINC000049402436 557097921 /nfs/dbraw/zinc/09/79/21/557097921.db2.gz WMUXROABHKGJOY-UHFFFAOYSA-N 0 0 440.843 1.995 50 0 IDAARN COc1cc2[nH]c(=O)n(CCCCCC(=O)NCc3cccnc3)c(=O)c2cc1OC ZINC000004766742 557098311 /nfs/dbraw/zinc/09/83/11/557098311.db2.gz BMSBAQYIXBDSQQ-UHFFFAOYSA-N 0 0 426.473 1.979 50 0 IDAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CN1C(=O)C(=O)N(C)C1=O)CC2 ZINC000072281575 557101259 /nfs/dbraw/zinc/10/12/59/557101259.db2.gz IYUGZTOYPKSFKH-GOSISDBHSA-N 0 0 443.481 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557104920 /nfs/dbraw/zinc/10/49/20/557104920.db2.gz TZTCVNKSGWLEGA-UHFFFAOYSA-N 0 0 429.502 1.698 50 0 IDAARN O=C(CN1C(=O)CCC1=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000585147567 557105148 /nfs/dbraw/zinc/10/51/48/557105148.db2.gz XSJNRITWTMESDZ-UHFFFAOYSA-N 0 0 426.448 1.437 50 0 IDAARN O=C(CCn1c(=O)oc2ccccc21)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000023674571 557105331 /nfs/dbraw/zinc/10/53/31/557105331.db2.gz XCPHGXKDMGZSNQ-UHFFFAOYSA-N 0 0 439.497 1.398 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 ZINC000585147616 557105450 /nfs/dbraw/zinc/10/54/50/557105450.db2.gz HBAVFHFLBHPDPN-UHFFFAOYSA-N 0 0 435.527 1.901 50 0 IDAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023674845 557105640 /nfs/dbraw/zinc/10/56/40/557105640.db2.gz BPNRVOONFJCOQO-OAQYLSRUSA-N 0 0 447.601 1.828 50 0 IDAARN CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 ZINC000033325517 557107552 /nfs/dbraw/zinc/10/75/52/557107552.db2.gz 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COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023712727 557109956 /nfs/dbraw/zinc/10/99/56/557109956.db2.gz KYQYWBHCNWXOAT-UHFFFAOYSA-N 0 0 433.486 1.029 50 0 IDAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)NCc1ccc(CN2CCOCC2)cc1 ZINC000023731283 557111675 /nfs/dbraw/zinc/11/16/75/557111675.db2.gz LCUOGOZQFJTJNF-UHFFFAOYSA-N 0 0 426.517 1.186 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000017747564 557115437 /nfs/dbraw/zinc/11/54/37/557115437.db2.gz XAQRTJZDLSURRZ-FCEWJHQRSA-N 0 0 426.535 1.477 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000049643442 557116682 /nfs/dbraw/zinc/11/66/82/557116682.db2.gz VNISTAFPFJQAFP-MAUKXSAKSA-N 0 0 446.529 1.057 50 0 IDAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccn2)C1 ZINC000049693951 557117680 /nfs/dbraw/zinc/11/76/80/557117680.db2.gz CQQMHLQHNCREAV-YHVDPYDOSA-N 0 0 433.534 1.627 50 0 IDAARN O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(Cc2ccncc2)CC1 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CCc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)cnn1-c1ccc(OC)nn1 ZINC000024549769 557151188 /nfs/dbraw/zinc/15/11/88/557151188.db2.gz JOTBVUYTMMMDLO-UHFFFAOYSA-N 0 0 428.537 1.998 50 0 IDAARN O=C(Oc1ccccc1)N1CCC(CNS(=O)(=O)CCN2C(=O)CCCC2=O)CC1 ZINC000043957265 557154119 /nfs/dbraw/zinc/15/41/19/557154119.db2.gz ZJCMYEXLLBCOIL-UHFFFAOYSA-N 0 0 437.518 1.356 50 0 IDAARN NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000024610440 557154862 /nfs/dbraw/zinc/15/48/62/557154862.db2.gz JTFLYJZZEFWLAX-UHFFFAOYSA-N 0 0 427.954 1.606 50 0 IDAARN O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610865 557154866 /nfs/dbraw/zinc/15/48/66/557154866.db2.gz FXRPENJQCSESKE-UHFFFAOYSA-N 0 0 429.970 1.330 50 0 IDAARN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)CCn1nnc2ccccc2c1=O ZINC000024612213 557155493 /nfs/dbraw/zinc/15/54/93/557155493.db2.gz FGCOUCOAZHJIPX-UHFFFAOYSA-N 0 0 443.529 1.326 50 0 IDAARN O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024613308 557155721 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0 IDAARN COc1ccc(Cl)cc1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000024846278 557168300 /nfs/dbraw/zinc/16/83/00/557168300.db2.gz RCTDOMSVTIOYQF-UHFFFAOYSA-N 0 0 425.894 1.934 50 0 IDAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000024833868 557171581 /nfs/dbraw/zinc/17/15/81/557171581.db2.gz ZXFMZMGSNOVUGO-INIZCTEOSA-N 0 0 447.513 1.791 50 0 IDAARN COc1ccc(C(N)=O)c(OCC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 ZINC000024835445 557171979 /nfs/dbraw/zinc/17/19/79/557171979.db2.gz QODXFIMGPOIXSW-UHFFFAOYSA-N 0 0 429.448 1.863 50 0 IDAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCNC3=O)CC2)c(C)c1C ZINC000024835966 557172258 /nfs/dbraw/zinc/17/22/58/557172258.db2.gz AOQXFQQZJXBXKB-SFHVURJKSA-N 0 0 436.578 1.475 50 0 IDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000024839444 557172982 /nfs/dbraw/zinc/17/29/82/557172982.db2.gz DAWWTDIVSYPWIT-BETUJISGSA-N 0 0 442.028 1.931 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(N3CCC(NC(=O)c4ccccc4)CC3)nc2)CC1 ZINC000024894112 557177349 /nfs/dbraw/zinc/17/73/49/557177349.db2.gz GVLXFUZVUAUYNF-UHFFFAOYSA-N 0 0 443.573 1.417 50 0 IDAARN COC(=O)[C@@H](CN1CCN(c2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000024927231 557180179 /nfs/dbraw/zinc/18/01/79/557180179.db2.gz IRRDDUWDHNSBTL-VQIMIIECSA-N 0 0 426.439 1.781 50 0 IDAARN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N1CCOCC1 ZINC000009190138 557182399 /nfs/dbraw/zinc/18/23/99/557182399.db2.gz MNEPRWOSTYJMOH-UHFFFAOYSA-N 0 0 433.534 1.230 50 0 IDAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 ZINC000025014800 557189719 /nfs/dbraw/zinc/18/97/19/557189719.db2.gz ROIJRGYXSCFVRS-JLTOFOAXSA-N 0 0 447.513 1.752 50 0 IDAARN COc1ccc(-c2nc(SC(C(C)=O)=C(C)O)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000100830862 557190614 /nfs/dbraw/zinc/19/06/14/557190614.db2.gz FYQYQYRCMMLLSM-UHFFFAOYSA-N 0 0 428.470 1.342 50 0 IDAARN C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000025063138 557193620 /nfs/dbraw/zinc/19/36/20/557193620.db2.gz KTIUHVUBERCLPZ-GOEBONIOSA-N 0 0 431.514 1.552 50 0 IDAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)NC(=O)Cc3n[nH]c(=O)c4ccccc34)c2c1 ZINC000025076871 557194507 /nfs/dbraw/zinc/19/45/07/557194507.db2.gz VJXXBNBPIODEQX-CQSZACIVSA-N 0 0 447.495 1.819 50 0 IDAARN CCOc1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 ZINC000100876787 557195348 /nfs/dbraw/zinc/19/53/48/557195348.db2.gz GTSKCENFICWSBX-VZCXRCSSSA-N 0 0 449.510 1.663 50 0 IDAARN COCCn1c2ccc(S(N)(=O)=O)cc2sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100872917 557195944 /nfs/dbraw/zinc/19/59/44/557195944.db2.gz YIELNORVODGOKW-VZCXRCSSSA-N 0 0 433.511 1.940 50 0 IDAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)CN1C(=O)c2ccccc2C1=O ZINC000100876451 557197703 /nfs/dbraw/zinc/19/77/03/557197703.db2.gz DBFMFFKUYYZEPK-XDOYNYLZSA-N 0 0 427.413 1.738 50 0 IDAARN COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000100876269 557197717 /nfs/dbraw/zinc/19/77/17/557197717.db2.gz NNYVFDUEHCLZFB-VXPUYCOJSA-N 0 0 433.511 1.867 50 0 IDAARN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(C(=O)C2CC2)CC1 ZINC000025166913 557198012 /nfs/dbraw/zinc/19/80/12/557198012.db2.gz WCAGWIPVUIULOV-UHFFFAOYSA-N 0 0 448.317 1.906 50 0 IDAARN O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000025290851 557202838 /nfs/dbraw/zinc/20/28/38/557202838.db2.gz NSJTXJDYVPVKEG-UHFFFAOYSA-N 0 0 435.484 1.484 50 0 IDAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000025384695 557206722 /nfs/dbraw/zinc/20/67/22/557206722.db2.gz UZJINQSFPIPZLF-KRWDZBQOSA-N 0 0 437.543 1.589 50 0 IDAARN COc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000025426775 557209226 /nfs/dbraw/zinc/20/92/26/557209226.db2.gz GCKOXQOQBCMPFE-UHFFFAOYSA-N 0 0 441.484 1.507 50 0 IDAARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NCc1ccc(F)cc1 ZINC000025426151 557209382 /nfs/dbraw/zinc/20/93/82/557209382.db2.gz DCRURIUGZQJETF-HNNXBMFYSA-N 0 0 428.416 1.809 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)NCc3ccc(OC)cc3)c(=O)n3c2CCCC3)no1 ZINC000169763862 557211254 /nfs/dbraw/zinc/21/12/54/557211254.db2.gz ULCDWRFHPUVSST-UHFFFAOYSA-N 0 0 439.472 1.284 50 0 IDAARN CC(=O)NCc1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000025588612 557217713 /nfs/dbraw/zinc/21/77/13/557217713.db2.gz YLSAXGGNVJDCNN-UHFFFAOYSA-N 0 0 437.374 1.652 50 0 IDAARN CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000025664876 557220638 /nfs/dbraw/zinc/22/06/38/557220638.db2.gz QTKLLDKZZDTARF-UXHICEINSA-N 0 0 438.484 1.168 50 0 IDAARN O=C(COC(=O)CNS(=O)(=O)c1ccc(F)c(F)c1F)NCCc1ccccc1 ZINC000010901219 557226198 /nfs/dbraw/zinc/22/61/98/557226198.db2.gz VXZQJLWKKLHXOQ-UHFFFAOYSA-N 0 0 430.404 1.284 50 0 IDAARN CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 ZINC000025869827 557229019 /nfs/dbraw/zinc/22/90/19/557229019.db2.gz YLRMWKLAUVEPMS-UHFFFAOYSA-N 0 0 441.550 1.836 50 0 IDAARN CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 ZINC000072260159 557234551 /nfs/dbraw/zinc/23/45/51/557234551.db2.gz PXBLBCAXGYXVJM-UHFFFAOYSA-N 0 0 430.896 1.184 50 0 IDAARN COc1ccccc1NC(=O)Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O ZINC000098213062 557236277 /nfs/dbraw/zinc/23/62/77/557236277.db2.gz WSLPMYGMDLLRDU-UHFFFAOYSA-N 0 0 425.420 1.487 50 0 IDAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000018094694 557236715 /nfs/dbraw/zinc/23/67/15/557236715.db2.gz ZOBSDSVDSIPFEQ-UHFFFAOYSA-N 0 0 436.468 1.734 50 0 IDAARN COc1cccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c1OC ZINC000026533959 557243523 /nfs/dbraw/zinc/24/35/23/557243523.db2.gz KNNHQDKCPJYCIU-GZTJUZNOSA-N 0 0 425.441 1.806 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)cc1 ZINC000026541643 557244123 /nfs/dbraw/zinc/24/41/23/557244123.db2.gz WAKLIMSORBYLNJ-UHFFFAOYSA-N 0 0 431.470 1.136 50 0 IDAARN CC(=O)Nc1ccc2c(c1)CC1(C(=O)NC(=O)NC1=O)[C@@H]1CN(c3ccccc3)CCN21 ZINC000018155848 557244193 /nfs/dbraw/zinc/24/41/93/557244193.db2.gz DVWJOYXFWMOIMC-IBGZPJMESA-N 0 0 433.468 1.249 50 0 IDAARN O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000026562945 557244801 /nfs/dbraw/zinc/24/48/01/557244801.db2.gz QEBWKZOJSIQDPP-MRXNPFEDSA-N 0 0 438.937 1.154 50 0 IDAARN COc1c2c(c(CNC(=O)COc3ccc4c(c3)OCO4)c3c1C(=O)N(C)CC3)OCO2 ZINC000604404091 557246572 /nfs/dbraw/zinc/24/65/72/557246572.db2.gz IUKHHYGIFINGOR-UHFFFAOYSA-N 0 0 442.424 1.476 50 0 biogenic IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cc(C)nc(C)n4)CC3)C2=O)cc1 ZINC000100209884 557247873 /nfs/dbraw/zinc/24/78/73/557247873.db2.gz KMUSRNPLYLYYMW-IBGZPJMESA-N 0 0 437.500 1.724 50 0 IDAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(=O)Cc4ccccc4)CC3)C2=O)cc1 ZINC000018222861 557253018 /nfs/dbraw/zinc/25/30/18/557253018.db2.gz RKMBMOXEBJUBMN-FQEVSTJZSA-N 0 0 435.480 1.492 50 0 IDAARN COc1ccc(CCNC(=O)COCC(=O)N2CCN(c3ccccn3)CC2)cc1OC ZINC000018271676 557254930 /nfs/dbraw/zinc/25/49/30/557254930.db2.gz SEUUTJSQFHMAQN-UHFFFAOYSA-N 0 0 442.516 1.123 50 0 IDAARN O=C(CNC(=O)c1ccccc1F)OCCCOC(=O)CNC(=O)c1ccccc1F ZINC000018285936 557255986 /nfs/dbraw/zinc/25/59/86/557255986.db2.gz NDPHQQHCUXSWAN-UHFFFAOYSA-N 0 0 434.395 1.601 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000014000237 557258364 /nfs/dbraw/zinc/25/83/64/557258364.db2.gz MRCPGNNGRZIBHC-RHSMWYFYSA-N 0 0 441.532 1.716 50 0 IDAARN Cc1cc(C)n(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 ZINC000027508901 557263205 /nfs/dbraw/zinc/26/32/05/557263205.db2.gz WFSUAIVBXKVYLW-UHFFFAOYSA-N 0 0 440.953 1.994 50 0 IDAARN COc1cccc(N2C(=O)C[C@H](N3CCC(C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)c1 ZINC000101356648 557275282 /nfs/dbraw/zinc/27/52/82/557275282.db2.gz WJDHAQIDKCGGAP-FQEVSTJZSA-N 0 0 449.573 1.711 50 0 IDAARN CN1C(=O)[C@H]2[C@H](C1=O)[C@H](c1cccs1)N1[C@@H]3C(=O)N(C)C(=O)[C@H]3[C@H](c3cccs3)N21 ZINC000100774576 557276243 /nfs/dbraw/zinc/27/62/43/557276243.db2.gz SPHHDFIPWOIWAC-PLZKBRGSSA-N 0 0 442.522 1.105 50 0 IDAARN CSCC[C@@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101405250 557283626 /nfs/dbraw/zinc/28/36/26/557283626.db2.gz ZNIHYABQGJYKQQ-BBWFWOEESA-N 0 0 428.518 1.898 50 0 IDAARN CSCC[C@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101405253 557283641 /nfs/dbraw/zinc/28/36/41/557283641.db2.gz ZNIHYABQGJYKQQ-IXDOHACOSA-N 0 0 428.518 1.898 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000084466175 557303250 /nfs/dbraw/zinc/30/32/50/557303250.db2.gz LZBMBVHWTTYJOZ-HDICACEKSA-N 0 0 433.530 1.085 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014184846 557313986 /nfs/dbraw/zinc/31/39/86/557313986.db2.gz FOOWWCQDWAYQCK-PXRHCINRSA-N 0 0 436.530 1.973 50 0 IDAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)C2=O)cc1 ZINC000032736634 557314477 /nfs/dbraw/zinc/31/44/77/557314477.db2.gz CDHHMAMWCTYGEP-UHFFFAOYSA-N 0 0 443.412 1.655 50 0 IDAARN COc1ccc(OC)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000014192993 557315446 /nfs/dbraw/zinc/31/54/46/557315446.db2.gz KPNMVDNFJKCVQN-UHFFFAOYSA-N 0 0 433.530 1.957 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032912721 557317385 /nfs/dbraw/zinc/31/73/85/557317385.db2.gz JXYKRESUSZAOIM-BBRMVZONSA-N 0 0 428.532 1.020 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](N2CCc3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000105167469 557330180 /nfs/dbraw/zinc/33/01/80/557330180.db2.gz RTRYJIOTUZUULJ-KGWSWXIGSA-N 0 0 449.456 1.132 50 0 IDAARN C[NH+](C)CCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033263389 557330208 /nfs/dbraw/zinc/33/02/08/557330208.db2.gz XAMPXXQISJVMSR-AWEZNQCLSA-N 0 0 430.534 1.320 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)c1ccccc1 ZINC000100137515 557332818 /nfs/dbraw/zinc/33/28/18/557332818.db2.gz CTLPEIZGMLTZQX-GOSISDBHSA-N 0 0 434.330 1.318 50 0 IDAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000014363691 557336593 /nfs/dbraw/zinc/33/65/93/557336593.db2.gz MLSGXCGOWNJQNC-UHFFFAOYSA-N 0 0 431.514 1.759 50 0 IDAARN C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000024973329 557342603 /nfs/dbraw/zinc/34/26/03/557342603.db2.gz SUMKUPUXVCIVSP-NSHDSACASA-N 0 0 435.333 1.240 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000023710040 557372190 /nfs/dbraw/zinc/37/21/90/557372190.db2.gz LKZDEWWLUOJJRS-CQSZACIVSA-N 0 0 437.381 1.708 50 0 IDAARN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023752289 557375533 /nfs/dbraw/zinc/37/55/33/557375533.db2.gz LNZYMPBJZCGNNZ-GFCCVEGCSA-N 0 0 439.438 1.078 50 0 IDAARN COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000102771637 557381947 /nfs/dbraw/zinc/38/19/47/557381947.db2.gz SJASCQQVLJDXFC-XNTDXEJSSA-N 0 0 428.488 1.195 50 0 IDAARN CCOC(=O)C1=C(N)Nc2cc(=O)nc(OC)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100252296 557394156 /nfs/dbraw/zinc/39/41/56/557394156.db2.gz NWYSMTBSPPQXKR-MRXNPFEDSA-N 0 0 432.433 1.026 50 0 IDAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N1c1ccccc1F ZINC000102835953 557394347 /nfs/dbraw/zinc/39/43/47/557394347.db2.gz KRABIHNEFPBQDR-QGZVFWFLSA-N 0 0 435.452 1.603 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000102840069 557394361 /nfs/dbraw/zinc/39/43/61/557394361.db2.gz LOKZQFOKXNEFLC-HDICACEKSA-N 0 0 431.514 1.751 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000024064455 557394435 /nfs/dbraw/zinc/39/44/35/557394435.db2.gz QOJGCRJJDRBCKW-UHFFFAOYSA-N 0 0 429.564 1.812 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435721 557397995 /nfs/dbraw/zinc/39/79/95/557397995.db2.gz GGBYNLHNGPXDBB-KFWWJZLASA-N 0 0 435.933 1.814 50 0 IDAARN CNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 ZINC000408516149 557411825 /nfs/dbraw/zinc/41/18/25/557411825.db2.gz UMVRJCNMZQXJCS-UHFFFAOYSA-N 0 0 425.942 1.871 50 0 IDAARN CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3ccccn3)c2)CC1 ZINC000408525145 557413929 /nfs/dbraw/zinc/41/39/29/557413929.db2.gz 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CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000106519815 557529647 /nfs/dbraw/zinc/52/96/47/557529647.db2.gz XXIQFPBMBSZDPC-BZUAXINKSA-N 0 0 426.535 1.802 50 0 IDAARN NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2S1 ZINC000107169102 557535104 /nfs/dbraw/zinc/53/51/04/557535104.db2.gz DICCXHOPHCSSGA-JFIYKMOQSA-N 0 0 436.445 1.936 50 0 IDAARN CN1CC[C@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H]1c1ccc(Cl)cc1 ZINC000107541958 557536199 /nfs/dbraw/zinc/53/61/99/557536199.db2.gz SMMMDIMMLNYZRL-IRXDYDNUSA-N 0 0 427.892 1.461 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)cc1 ZINC000044837071 557538802 /nfs/dbraw/zinc/53/88/02/557538802.db2.gz OPUJECJIARYKPY-UHFFFAOYSA-N 0 0 432.440 1.770 50 0 IDAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000109023766 557545343 /nfs/dbraw/zinc/54/53/43/557545343.db2.gz DONFSMQVLUPKAD-BZUAXINKSA-N 0 0 428.530 1.124 50 0 IDAARN 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CCCCN1C(=O)c2ccc(C(=O)Nc3c(N)n(CCCC)c(=O)n(C)c3=O)cc2C1=O ZINC000004195244 562942522 /nfs/dbraw/zinc/94/25/22/562942522.db2.gz BYVBDKVTWRREPS-UHFFFAOYSA-N 0 0 441.488 1.578 50 0 IDAARN COc1cc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1C ZINC000005966018 562945535 /nfs/dbraw/zinc/94/55/35/562945535.db2.gz VIYGVZBWKJCELM-MRXNPFEDSA-N 0 0 427.519 1.841 50 0 IDAARN COCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000006577948 562947956 /nfs/dbraw/zinc/94/79/56/562947956.db2.gz GWMIOXCYENRTSE-UHFFFAOYSA-N 0 0 435.546 1.868 50 0 IDAARN Cn1c2[nH]c(-c3ccc(F)cc3)c(-c3c(=O)[nH]c(=O)n(C)c3-n3cccc3)c2c(=O)[nH]c1=O ZINC000008586572 562950160 /nfs/dbraw/zinc/95/01/60/562950160.db2.gz FRPIGFFFUHVWAW-UHFFFAOYSA-N 0 0 448.414 1.206 50 0 IDAARN O=C(Nc1nnc(S(=O)(=O)N2CCOCC2)s1)c1cccc(Br)c1 ZINC000008588178 562950599 /nfs/dbraw/zinc/95/05/99/562950599.db2.gz RQUSDTWRBIDVPI-UHFFFAOYSA-N 0 0 433.309 1.574 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccc(F)cc32)cc1 ZINC000008588589 562950725 /nfs/dbraw/zinc/95/07/25/562950725.db2.gz GMVZORKRWCXQEN-UHFFFAOYSA-N 0 0 442.472 1.400 50 0 IDAARN CCOC(=O)[C@@H](C)Sc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1 ZINC000008589439 562951218 /nfs/dbraw/zinc/95/12/18/562951218.db2.gz FSAFOEOMQNTZAU-CQSZACIVSA-N 0 0 449.558 1.997 50 0 IDAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCc3ccc(OC)cc3)ccc21 ZINC000008596126 562953721 /nfs/dbraw/zinc/95/37/21/562953721.db2.gz YLYVOJMXQRPTKZ-UHFFFAOYSA-N 0 0 445.541 1.979 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NCc3ccco3)nc(-c3ccccc3)nc2n(C)c1=O ZINC000008598560 562954326 /nfs/dbraw/zinc/95/43/26/562954326.db2.gz CKVGGEFSQZOANE-UHFFFAOYSA-N 0 0 437.481 1.696 50 0 IDAARN COc1ccc(CCNC(=O)c2cnc3sc(N4CCCC4)nn3c2=O)cc1OC ZINC000008603240 562955941 /nfs/dbraw/zinc/95/59/41/562955941.db2.gz BQKJCMMWKRFJRS-UHFFFAOYSA-N 0 0 429.502 1.741 50 0 IDAARN CCOCCc1nn2c(nc(COC(=O)CNC(=O)c3ccc(F)cc3)cc2=O)s1 ZINC000008605494 562956731 /nfs/dbraw/zinc/95/67/31/562956731.db2.gz ZUGXUDJFIWAMIE-UHFFFAOYSA-N 0 0 434.449 1.342 50 0 IDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000008607500 562957343 /nfs/dbraw/zinc/95/73/43/562957343.db2.gz HWLZKAWFDAHWNQ-UHFFFAOYSA-N 0 0 435.502 1.938 50 0 IDAARN COc1ccc(OC)c(-c2nc3c(c(C(N)=O)n2)n(C)c(=O)n3-c2ccc3c(c2)OCO3)c1 ZINC000008610472 562958188 /nfs/dbraw/zinc/95/81/88/562958188.db2.gz OLHIJJPUCXNGQI-UHFFFAOYSA-N 0 0 449.423 1.631 50 0 IDAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000008611166 562958413 /nfs/dbraw/zinc/95/84/13/562958413.db2.gz LCEVZNGFJRMFCL-UHFFFAOYSA-N 0 0 445.497 1.438 50 0 IDAARN Cc1nn(C(=O)c2ccc(Br)cc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000008611191 562958497 /nfs/dbraw/zinc/95/84/97/562958497.db2.gz ILWMUKRTUFRGMD-UHFFFAOYSA-N 0 0 428.308 1.972 50 0 IDAARN Cc1nc2cc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 ZINC000008670759 562960726 /nfs/dbraw/zinc/96/07/26/562960726.db2.gz HEHSWCMOAIJTPR-MRXNPFEDSA-N 0 0 427.482 1.794 50 0 IDAARN CCN(CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000008671970 562960991 /nfs/dbraw/zinc/96/09/91/562960991.db2.gz BXQDHXBRCZIXDK-UHFFFAOYSA-N 0 0 433.559 1.955 50 0 IDAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 ZINC000008683286 562961903 /nfs/dbraw/zinc/96/19/03/562961903.db2.gz UYDGZNCZWFBICC-LJQANCHMSA-N 0 0 441.484 1.320 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ncnc2ccccc21 ZINC000008692520 562963624 /nfs/dbraw/zinc/96/36/24/562963624.db2.gz GCHARMKFSQRDDL-UHFFFAOYSA-N 0 0 442.497 1.977 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc1 ZINC000008791272 562964254 /nfs/dbraw/zinc/96/42/54/562964254.db2.gz XCIGKBBPJQAESH-RIFZZMRRSA-N 0 0 425.485 1.403 50 0 biogenic IDAARN O=C(CN1c2ccccc2OCCC1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008861789 562965516 /nfs/dbraw/zinc/96/55/16/562965516.db2.gz LINYIMWOMYGUMB-UHFFFAOYSA-N 0 0 445.497 1.462 50 0 IDAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 ZINC000009044635 562966717 /nfs/dbraw/zinc/96/67/17/562966717.db2.gz RLNSBAMKDYAREE-CQSZACIVSA-N 0 0 430.482 1.875 50 0 biogenic IDAARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000009050478 562966773 /nfs/dbraw/zinc/96/67/73/562966773.db2.gz ZVUZZHJHVGYVML-HXUWFJFHSA-N 0 0 445.382 1.863 50 0 IDAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000009203724 562968150 /nfs/dbraw/zinc/96/81/50/562968150.db2.gz HJZJGNUXRCXQFE-CEXWTWQISA-N 0 0 426.469 1.187 50 0 IDAARN CCc1noc(C)c1C(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000009253847 562968479 /nfs/dbraw/zinc/96/84/79/562968479.db2.gz CWKQNEZIUQFDSQ-UHFFFAOYSA-N 0 0 427.461 1.471 50 0 IDAARN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccncc2)cc1 ZINC000009347829 562969360 /nfs/dbraw/zinc/96/93/60/562969360.db2.gz KUYMNIDHISUDHU-QGZVFWFLSA-N 0 0 441.513 1.972 50 0 IDAARN C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCCC1 ZINC000009339523 562969382 /nfs/dbraw/zinc/96/93/82/562969382.db2.gz BUVGJSIUAVNLDN-ZDUSSCGKSA-N 0 0 428.482 1.451 50 0 IDAARN COc1ccc(C(=O)NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009373451 562969718 /nfs/dbraw/zinc/96/97/18/562969718.db2.gz HRCGYOMMRJMLOD-UHFFFAOYSA-N 0 0 435.527 1.843 50 0 IDAARN CCCn1c2sc3c(c2c(=O)n(CC(=O)NC[C@@H]2CCCO2)c1=O)CC(C)(C)OC3 ZINC000009410411 562970341 /nfs/dbraw/zinc/97/03/41/562970341.db2.gz SRUWAZLHIMTLTP-ZDUSSCGKSA-N 0 0 435.546 1.781 50 0 IDAARN Cc1cc(=O)oc2c(C)c(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 ZINC000009488575 562971847 /nfs/dbraw/zinc/97/18/47/562971847.db2.gz VBTZSIKYNWSHLO-UHFFFAOYSA-N 0 0 430.482 1.795 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000009491539 562972057 /nfs/dbraw/zinc/97/20/57/562972057.db2.gz XCAJTKWVZCDAFV-UHFFFAOYSA-N 0 0 425.510 1.505 50 0 IDAARN CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009492167 562972086 /nfs/dbraw/zinc/97/20/86/562972086.db2.gz CKYJATJUQJXJRL-QGZVFWFLSA-N 0 0 440.518 1.667 50 0 IDAARN O=C(Cn1c2ccccc2nc1NCCO)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009492930 562972118 /nfs/dbraw/zinc/97/21/18/562972118.db2.gz NIDJGDXDPYFACQ-UHFFFAOYSA-N 0 0 443.529 1.864 50 0 IDAARN Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c1 ZINC000009511187 562972721 /nfs/dbraw/zinc/97/27/21/562972721.db2.gz TXMFVXNBYIVXJK-UHFFFAOYSA-N 0 0 447.469 1.839 50 0 IDAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1C ZINC000009517821 562972726 /nfs/dbraw/zinc/97/27/26/562972726.db2.gz ZUYKNWLWIGKTSN-UHFFFAOYSA-N 0 0 432.440 1.639 50 0 IDAARN CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000009519849 562972890 /nfs/dbraw/zinc/97/28/90/562972890.db2.gz NJELFYJHCRROFE-UHFFFAOYSA-N 0 0 447.557 1.532 50 0 IDAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1ccccc1 ZINC000009519736 562972893 /nfs/dbraw/zinc/97/28/93/562972893.db2.gz VGBSPUDNJSLBQE-UHFFFAOYSA-N 0 0 441.509 1.913 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000009587605 562973598 /nfs/dbraw/zinc/97/35/98/562973598.db2.gz BUIRWQACUDXBAP-UHFFFAOYSA-N 0 0 448.497 1.669 50 0 IDAARN C[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000009597050 562973760 /nfs/dbraw/zinc/97/37/60/562973760.db2.gz FTCJWAAODYMDQF-INIZCTEOSA-N 0 0 432.498 1.742 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)CC1 ZINC000009599814 562973846 /nfs/dbraw/zinc/97/38/46/562973846.db2.gz XVJGIJUADLCJMT-UHFFFAOYSA-N 0 0 427.490 1.579 50 0 IDAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000009612536 562974067 /nfs/dbraw/zinc/97/40/67/562974067.db2.gz DCYFNHQDVURIQY-FQEVSTJZSA-N 0 0 431.514 1.914 50 0 IDAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Cl)cn1 ZINC000009632770 562974471 /nfs/dbraw/zinc/97/44/71/562974471.db2.gz KCHUPURDPRDWRL-UHFFFAOYSA-N 0 0 439.877 1.551 50 0 IDAARN COc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000009641144 562974681 /nfs/dbraw/zinc/97/46/81/562974681.db2.gz WVFMFLNOIRTDLL-VQHVLOKHSA-N 0 0 445.497 1.467 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1 ZINC000009715250 562975895 /nfs/dbraw/zinc/97/58/95/562975895.db2.gz PRRRAJGSDNZYQI-GOSISDBHSA-N 0 0 430.530 1.448 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccncc1 ZINC000009715261 562975929 /nfs/dbraw/zinc/97/59/29/562975929.db2.gz GFIQHCKVMMWLLH-SFHVURJKSA-N 0 0 430.530 1.448 50 0 IDAARN O=C(NCCc1ccco1)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009743682 562976428 /nfs/dbraw/zinc/97/64/28/562976428.db2.gz IBGKUGVSMMWJIP-QGZVFWFLSA-N 0 0 433.530 1.688 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2)cc1 ZINC000009806508 562977016 /nfs/dbraw/zinc/97/70/16/562977016.db2.gz CCUFPAYLEVDUOT-QGZVFWFLSA-N 0 0 431.514 1.281 50 0 IDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000009807055 562977074 /nfs/dbraw/zinc/97/70/74/562977074.db2.gz PDYGSVHXUSOBKE-AWEZNQCLSA-N 0 0 441.962 1.987 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2cccs2)cc1 ZINC000009806689 562977093 /nfs/dbraw/zinc/97/70/93/562977093.db2.gz OUZGWSVPPYWORG-AWEZNQCLSA-N 0 0 437.543 1.342 50 0 IDAARN O=C(NCc1ccccc1F)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000009807084 562977154 /nfs/dbraw/zinc/97/71/54/562977154.db2.gz BIURROLSXXTIHT-CQSZACIVSA-N 0 0 425.507 1.473 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCc2ccco2)c1 ZINC000009807502 562977155 /nfs/dbraw/zinc/97/71/55/562977155.db2.gz HMWBIDMDNFZERM-KRWDZBQOSA-N 0 0 433.530 1.525 50 0 IDAARN CCCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009961356 562977975 /nfs/dbraw/zinc/97/79/75/562977975.db2.gz QVHKNQIPYZMFMP-UHFFFAOYSA-N 0 0 448.487 1.278 50 0 IDAARN COc1ccc(OCCOC(=O)[C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000009963671 562978075 /nfs/dbraw/zinc/97/80/75/562978075.db2.gz XMDMXCTXSDIYHI-CQSZACIVSA-N 0 0 436.486 1.943 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)NC(=O)N[C@H]1C ZINC000012888260 562983464 /nfs/dbraw/zinc/98/34/64/562983464.db2.gz BUYLENRVMRVWML-VIFPVBQESA-N 0 0 444.271 1.785 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000013132622 562985019 /nfs/dbraw/zinc/98/50/19/562985019.db2.gz AGIHWURHXLZWOW-UHFFFAOYSA-N 0 0 442.501 1.502 50 0 IDAARN COc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000013148616 562985364 /nfs/dbraw/zinc/98/53/64/562985364.db2.gz LTBHVKWWXRNGNE-UHFFFAOYSA-N 0 0 439.515 1.936 50 0 IDAARN COc1cc(NC(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)cc(OC)c1OC ZINC000015681015 563017962 /nfs/dbraw/zinc/01/79/62/563017962.db2.gz FOAHRCOFFOKSQH-UHFFFAOYSA-N 0 0 427.461 1.984 50 0 IDAARN CCn1cc(C(=O)NCC(OC)OC)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000015879153 563018149 /nfs/dbraw/zinc/01/81/49/563018149.db2.gz IBRUUBQNIHETMH-UHFFFAOYSA-N 0 0 437.518 1.155 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC(=O)NCc1ccco1 ZINC000034878673 563088379 /nfs/dbraw/zinc/08/83/79/563088379.db2.gz UCAUFTLUBFRUPJ-RIYZIHGNSA-N 0 0 432.502 1.224 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351201 563093308 /nfs/dbraw/zinc/09/33/08/563093308.db2.gz WIBUCHUQSYYBHO-UHFFFAOYSA-N 0 0 437.349 1.127 50 0 IDAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CCCO1 ZINC000056945554 563142782 /nfs/dbraw/zinc/14/27/82/563142782.db2.gz SLGBFKGBWPQNEW-WOJBJXKFSA-N 0 0 444.507 1.693 50 0 IDAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC[C@H]1CCCO1 ZINC000056945816 563142907 /nfs/dbraw/zinc/14/29/07/563142907.db2.gz LJDJQLAOZDDMDU-XLIONFOSSA-N 0 0 444.507 1.693 50 0 IDAARN CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 ZINC000082056136 563172951 /nfs/dbraw/zinc/17/29/51/563172951.db2.gz ZKYKUEYGMKYCFM-HXUWFJFHSA-N 0 0 429.521 1.980 50 0 IDAARN NC(=O)c1c2c(sc1NC(=O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)CCC2 ZINC000022928809 568612954 /nfs/dbraw/zinc/61/29/54/568612954.db2.gz RDCMWJUCQHICDJ-UHFFFAOYSA-N 0 0 442.541 1.821 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1C ZINC000023053438 568615475 /nfs/dbraw/zinc/61/54/75/568615475.db2.gz CHUXKUGWRODQAE-UHFFFAOYSA-N 0 0 429.542 1.956 50 0 IDAARN C[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000019076933 568636940 /nfs/dbraw/zinc/63/69/40/568636940.db2.gz OTLGGJKPIWALSS-AVGNSLFASA-N 0 0 440.547 1.596 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1cccc2nsnc21 ZINC000019077170 568637340 /nfs/dbraw/zinc/63/73/40/568637340.db2.gz SADSZOMCKOGJJY-UHFFFAOYSA-N 0 0 435.506 1.775 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3cn4ccccc4n3)cc2)CC1 ZINC000025184376 568648309 /nfs/dbraw/zinc/64/83/09/568648309.db2.gz VISMMOLYEVPUED-UHFFFAOYSA-N 0 0 441.513 1.117 50 0 IDAARN CCCn1c(N)c(C(=O)COC(=O)c2cc3ccccc3cc2OC)c(=O)n(C)c1=O ZINC000015186019 568731817 /nfs/dbraw/zinc/73/18/17/568731817.db2.gz IJZASLPEQWLDFE-UHFFFAOYSA-N 0 0 425.441 1.741 50 0 IDAARN CS(=O)(=O)N1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000025575104 568736175 /nfs/dbraw/zinc/73/61/75/568736175.db2.gz OWVAECKRMSAHDF-UHFFFAOYSA-N 0 0 434.484 1.811 50 0 IDAARN CN(CC(=O)N[C@H]1CCCc2c1cnn2C)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000031593851 568740560 /nfs/dbraw/zinc/74/05/60/568740560.db2.gz BSEFPGKQZJMICX-INIZCTEOSA-N 0 0 434.518 1.396 50 0 IDAARN COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3snnc3C)CC2)cc1 ZINC000043942221 568743845 /nfs/dbraw/zinc/74/38/45/568743845.db2.gz VGXCZQGVCUTXPY-UHFFFAOYSA-N 0 0 445.501 1.240 50 0 IDAARN Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000043942219 568743852 /nfs/dbraw/zinc/74/38/52/568743852.db2.gz MJCPFEVZKLDMNK-UHFFFAOYSA-N 0 0 445.501 1.225 50 0 IDAARN Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000043958255 568744401 /nfs/dbraw/zinc/74/44/01/568744401.db2.gz IUJJDDPAUHKOTP-UHFFFAOYSA-N 0 0 438.531 1.448 50 0 IDAARN O=C(COC(=O)CNC(=O)c1ccccc1I)NCC(F)(F)F ZINC000003351392 568746870 /nfs/dbraw/zinc/74/68/70/568746870.db2.gz IOSXOANQRUIMAR-UHFFFAOYSA-N 0 0 444.147 1.243 50 0 IDAARN O=C(OCn1nnc2ccccc2c1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003519883 568750535 /nfs/dbraw/zinc/75/05/35/568750535.db2.gz ODWHRWSEZSGEMA-UHFFFAOYSA-N 0 0 428.470 1.781 50 0 IDAARN Cc1cc(=NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159208 568751127 /nfs/dbraw/zinc/75/11/27/568751127.db2.gz DRAPEIYAROKVMC-SJORKVTESA-N 0 0 432.550 1.235 50 0 IDAARN Cc1cc(=NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159206 568751156 /nfs/dbraw/zinc/75/11/56/568751156.db2.gz DRAPEIYAROKVMC-IAGOWNOFSA-N 0 0 432.550 1.235 50 0 IDAARN CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 ZINC000003623286 568751748 /nfs/dbraw/zinc/75/17/48/568751748.db2.gz XJAYMNLXKCRKRP-KRWDZBQOSA-N 0 0 428.342 1.471 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)CCO)cc1-c1nnc2c3ccccc3c(C)nn12 ZINC000003655647 568753409 /nfs/dbraw/zinc/75/34/09/568753409.db2.gz RKHSOIYWKCMPHF-UHFFFAOYSA-N 0 0 427.486 1.874 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CCN(Cc1cc(F)ccc1F)CC2 ZINC000299762254 568755945 /nfs/dbraw/zinc/75/59/45/568755945.db2.gz STGNDQGXZYXBIA-UHFFFAOYSA-N 0 0 446.498 1.581 50 0 IDAARN O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCN1CCOCC1)C2)c1cccc(F)c1 ZINC000299779276 568756990 /nfs/dbraw/zinc/75/69/90/568756990.db2.gz DYGGLZHAKCSQCI-CQSZACIVSA-N 0 0 446.504 1.728 50 0 IDAARN O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCCN1CCOCC1)C2)c1cccc(F)c1 ZINC000299779265 568757049 /nfs/dbraw/zinc/75/70/49/568757049.db2.gz DYGGLZHAKCSQCI-AWEZNQCLSA-N 0 0 446.504 1.728 50 0 IDAARN COc1ccc([C@@]2(CC(=O)N3CCN(C4CCCCC4)C(=O)C3)CC(=O)N(C)C2=O)cc1 ZINC000299781433 568757192 /nfs/dbraw/zinc/75/71/92/568757192.db2.gz UFGISHHOFIHKBJ-DEOSSOPVSA-N 0 0 441.528 1.715 50 0 IDAARN COc1ccc([C@]2(CC(=O)N3CCNC(=O)CC3)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000299794223 568757667 /nfs/dbraw/zinc/75/76/67/568757667.db2.gz IKRHSVHAHRGYTJ-QHCPKHFHSA-N 0 0 427.501 1.373 50 0 IDAARN Cc1ccc([C@H]2Cn3nnc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)c3CO2)cc1 ZINC000263617315 568777070 /nfs/dbraw/zinc/77/70/70/568777070.db2.gz NDIMPJXGSXMBMS-LJQANCHMSA-N 0 0 441.513 1.478 50 0 IDAARN NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Br)cc2)C3)CC1 ZINC000263617496 568777221 /nfs/dbraw/zinc/77/72/21/568777221.db2.gz OAMGXNVQYWAIKT-HNNXBMFYSA-N 0 0 434.294 1.650 50 0 IDAARN COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc(OC)cc4)c(CO)c3c2=O)cc1 ZINC000263619080 568777845 /nfs/dbraw/zinc/77/78/45/568777845.db2.gz WULBTIBYSOZHSB-UHFFFAOYSA-N 0 0 448.479 1.989 50 0 IDAARN COCC(=O)N1CC(=O)N(Cc2cccc(OC)c2)C[C@H](OCc2c(C)noc2C)C1 ZINC000014745287 568781441 /nfs/dbraw/zinc/78/14/41/568781441.db2.gz YILHPOJYZHLXBD-IBGZPJMESA-N 0 0 431.489 1.703 50 0 IDAARN CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1cc(C)nn1C)CC2 ZINC000014532791 568781496 /nfs/dbraw/zinc/78/14/96/568781496.db2.gz UBBPYCWEFBJCHY-UHFFFAOYSA-N 0 0 436.516 1.930 50 0 IDAARN CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCc2csc(=O)[nH]2)c1 ZINC000083989562 568788767 /nfs/dbraw/zinc/78/87/67/568788767.db2.gz UCDDHXWUXYOAQT-UHFFFAOYSA-N 0 0 427.323 1.081 50 0 IDAARN C[C@@H](C(=O)Nc1ccc(Br)cc1S(=O)(=O)N1CCOCC1)n1cncn1 ZINC000084069700 568791359 /nfs/dbraw/zinc/79/13/59/568791359.db2.gz IWUKWFBZPSGBKP-NSHDSACASA-N 0 0 444.311 1.261 50 0 IDAARN COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnc(-c2ccoc2C)n1N ZINC000084144927 568794750 /nfs/dbraw/zinc/79/47/50/568794750.db2.gz OVTMOQMQMRIAJG-UHFFFAOYSA-N 0 0 430.490 1.724 50 0 IDAARN CC(C)(C)N(CCS(C)(=O)=O)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000084169961 568795427 /nfs/dbraw/zinc/79/54/27/568795427.db2.gz MJZJVXMMVAJMIB-UHFFFAOYSA-N 0 0 445.607 1.555 50 0 IDAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)[C@@H]1CCNC(=O)C1 ZINC000084405342 568797812 /nfs/dbraw/zinc/79/78/12/568797812.db2.gz RQMIJJGHYNKKCX-CYBMUJFWSA-N 0 0 431.470 1.723 50 0 IDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c1=O ZINC000015554017 568797898 /nfs/dbraw/zinc/79/78/98/568797898.db2.gz USSRMFBNMPBYRU-UHFFFAOYSA-N 0 0 435.912 1.439 50 0 IDAARN O=C(NCCNS(=O)(=O)c1cccnc1)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000084425197 568797945 /nfs/dbraw/zinc/79/79/45/568797945.db2.gz HOVCCWBFIAHQTK-UHFFFAOYSA-N 0 0 438.815 1.779 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000015583191 568799054 /nfs/dbraw/zinc/79/90/54/568799054.db2.gz FEFVEADNFZQLBX-UHFFFAOYSA-N 0 0 433.534 1.436 50 0 IDAARN C[C@H](O)CCN(C)C(=O)C(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000084637184 568799404 /nfs/dbraw/zinc/79/94/04/568799404.db2.gz ORSPAHPPVMYPLU-LBPRGKRZSA-N 0 0 431.420 1.975 50 0 IDAARN Cn1c2ncn(CCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c(=O)n(C)c1=O ZINC000015633689 568800326 /nfs/dbraw/zinc/80/03/26/568800326.db2.gz WRZWTODBYWOZOE-UHFFFAOYSA-N 0 0 444.923 1.216 50 0 IDAARN CCCCn1c(N)c(N(CC)Cc2nc3cc(S(=O)(=O)CC)ccc3o2)c(=O)[nH]c1=O ZINC000084750098 568800958 /nfs/dbraw/zinc/80/09/58/568800958.db2.gz ZMLCDWVIAXOAIR-UHFFFAOYSA-N 0 0 449.533 1.880 50 0 IDAARN CCN(CC(=O)NC(C)C)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000084765461 568801038 /nfs/dbraw/zinc/80/10/38/568801038.db2.gz UCPKRRLMAADBKX-GOSISDBHSA-N 0 0 425.551 1.964 50 0 IDAARN O=C(CN1C(=O)CCC1=O)OC1=CN(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000015669472 568801990 /nfs/dbraw/zinc/80/19/90/568801990.db2.gz PDRUIEYWHRKPAG-UHFFFAOYSA-N 0 0 426.450 1.882 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1OC ZINC000015678568 568805216 /nfs/dbraw/zinc/80/52/16/568805216.db2.gz QCIXHBOXIBVLAB-UHFFFAOYSA-N 0 0 431.470 1.805 50 0 IDAARN CCc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000015680255 568806082 /nfs/dbraw/zinc/80/60/82/568806082.db2.gz HXWNBLJIHKEYKO-JOCHJYFZSA-N 0 0 429.542 1.932 50 0 IDAARN C[C@@H]1CSc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2NC1=O ZINC000015731094 568814154 /nfs/dbraw/zinc/81/41/54/568814154.db2.gz YSFKOUKFZLWDEI-SNVBAGLBSA-N 0 0 427.529 1.815 50 0 IDAARN CN1c2ccc(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc2CC1=O ZINC000015731653 568814599 /nfs/dbraw/zinc/81/45/99/568814599.db2.gz XTCRRJVLKVVRIS-UHFFFAOYSA-N 0 0 427.526 1.718 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)N1CCC(C)CC1 ZINC000015775713 568823461 /nfs/dbraw/zinc/82/34/61/568823461.db2.gz HKWVTDCLZSRKCB-FQEVSTJZSA-N 0 0 435.546 1.244 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)N1CCOCC1 ZINC000015776064 568823631 /nfs/dbraw/zinc/82/36/31/568823631.db2.gz WGWVDOZTWJUVBX-HXUWFJFHSA-N 0 0 435.546 1.388 50 0 IDAARN CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1nnc(N2CCCCC2=O)s1 ZINC000015777400 568824124 /nfs/dbraw/zinc/82/41/24/568824124.db2.gz AGZRGBZMARDZRT-UHFFFAOYSA-N 0 0 432.506 1.069 50 0 IDAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCCN4CCOCC4)CC3)ccc21 ZINC000015784210 568826755 /nfs/dbraw/zinc/82/67/55/568826755.db2.gz RCHFZKPYLTWZCH-UHFFFAOYSA-N 0 0 448.589 1.418 50 0 IDAARN CCN1CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000015785267 568829569 /nfs/dbraw/zinc/82/95/69/568829569.db2.gz OLVARUOWKBAVOM-LJQANCHMSA-N 0 0 434.562 1.385 50 0 IDAARN CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000085650836 568830928 /nfs/dbraw/zinc/83/09/28/568830928.db2.gz WJWOSBCGOXLCOM-UHFFFAOYSA-N 0 0 448.501 1.281 50 0 IDAARN CC1(C)O[C@@H]2O[C@H]([C@@H](O)CNC(=O)c3ccccc3)[C@H](NC(=O)c3ccccc3)[C@@H]2O1 ZINC000025691941 568842538 /nfs/dbraw/zinc/84/25/38/568842538.db2.gz UEDFTTNMYCEQLI-QUXXCFOZSA-N 0 0 426.469 1.452 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cn1C ZINC000015861093 568847970 /nfs/dbraw/zinc/84/79/70/568847970.db2.gz YHPARHLJGFJMIX-UHFFFAOYSA-N 0 0 449.407 1.970 50 0 IDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000015865951 568850503 /nfs/dbraw/zinc/85/05/03/568850503.db2.gz VUSFHOAUZGWYBQ-MRXNPFEDSA-N 0 0 425.551 1.842 50 0 IDAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1cc(OC)ccc1OC)c(=O)n2C ZINC000015880393 568854000 /nfs/dbraw/zinc/85/40/00/568854000.db2.gz RNGRLQWSEKWNNB-UHFFFAOYSA-N 0 0 428.445 1.458 50 0 IDAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccccc1Cl ZINC000015883823 568857755 /nfs/dbraw/zinc/85/77/55/568857755.db2.gz VRDRVRJAUIIZTO-UHFFFAOYSA-N 0 0 448.932 1.841 50 0 IDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@]21C(=O)Nc2c1cc(C)cc2C ZINC000015957189 568859955 /nfs/dbraw/zinc/85/99/55/568859955.db2.gz DUCJOSYWMDPMOJ-ADFWDLAYSA-N 0 0 449.507 1.613 50 0 biogenic IDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969316 568861384 /nfs/dbraw/zinc/86/13/84/568861384.db2.gz SEVGYGLCWSWWEZ-WKVINZIJSA-N 0 0 446.507 1.142 50 0 biogenic IDAARN Cc1nnc2c(N3CC[C@H](NS(=O)(=O)c4ccccc4OC(F)(F)F)C3)nccn12 ZINC000575414558 568862251 /nfs/dbraw/zinc/86/22/51/568862251.db2.gz KHIQPWSBAQEQLL-LBPRGKRZSA-N 0 0 442.423 1.889 50 0 IDAARN Cc1nnc2c(N3CC[C@@H](NS(=O)(=O)c4ccccc4Br)C3)nccn12 ZINC000575414701 568862491 /nfs/dbraw/zinc/86/24/91/568862491.db2.gz WGCMSLJCPIOQLQ-GFCCVEGCSA-N 0 0 437.323 1.752 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000016026193 568864426 /nfs/dbraw/zinc/86/44/26/568864426.db2.gz NOQMWPSDBROJAC-BKJGLDIHSA-N 0 0 432.480 1.099 50 0 biogenic IDAARN CCc1cccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016033015 568867672 /nfs/dbraw/zinc/86/76/72/568867672.db2.gz XJBNWBJVVISKKM-UJAPCULTSA-N 0 0 446.507 1.088 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)c3ccco3)C2)s1 ZINC000012947485 568871444 /nfs/dbraw/zinc/87/14/44/568871444.db2.gz JEXOJSROMRMOPD-CQSZACIVSA-N 0 0 425.532 1.596 50 0 IDAARN CN(C)c1nc(CNC(=O)c2ccccc2OC(F)(F)F)nc(N2CCOCC2)n1 ZINC000575607643 568878215 /nfs/dbraw/zinc/87/82/15/568878215.db2.gz VOUACJXKFINXPX-UHFFFAOYSA-N 0 0 426.399 1.603 50 0 IDAARN COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)[nH]n1 ZINC000575611402 568879060 /nfs/dbraw/zinc/87/90/60/568879060.db2.gz WZYUNNZVAULAHQ-UHFFFAOYSA-N 0 0 431.460 1.418 50 0 IDAARN CN1c2ccc(F)cc2N(CCNC(=O)c2ccc(N3CCOCC3)cc2)S1(=O)=O ZINC000575613119 568879550 /nfs/dbraw/zinc/87/95/50/568879550.db2.gz PQDCWLUSHRWOSS-UHFFFAOYSA-N 0 0 434.493 1.593 50 0 IDAARN CN1c2ccc(F)cc2N(CCNS(=O)(=O)c2cccc3nsnc32)S1(=O)=O ZINC000575613856 568879710 /nfs/dbraw/zinc/87/97/10/568879710.db2.gz WUIWBASWUZWYHP-UHFFFAOYSA-N 0 0 443.507 1.310 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@](O)(c1ccccc1)C1CCOCC1 ZINC000575613543 568879782 /nfs/dbraw/zinc/87/97/82/568879782.db2.gz STGPTHIFSXSWMG-QHCPKHFHSA-N 0 0 426.469 1.462 50 0 IDAARN Cn1c(=O)n(C2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)nc1C(F)(F)F ZINC000575614685 568881118 /nfs/dbraw/zinc/88/11/18/568881118.db2.gz BAHDXKWDHMUWGD-UHFFFAOYSA-N 0 0 446.451 1.628 50 0 IDAARN Cn1cc(-c2nccnc2CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cn1 ZINC000575620902 568883092 /nfs/dbraw/zinc/88/30/92/568883092.db2.gz WIKXRCKRMCZRJI-UHFFFAOYSA-N 0 0 426.458 1.009 50 0 IDAARN O=C(Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)NC[C@H]1CCCO1 ZINC000009517809 568883546 /nfs/dbraw/zinc/88/35/46/568883546.db2.gz SBBNKVRIPGQGOS-CYBMUJFWSA-N 0 0 438.366 1.171 50 0 IDAARN NC(=O)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21 ZINC000227067166 568885591 /nfs/dbraw/zinc/88/55/91/568885591.db2.gz RFKOLPRGCFYIKK-IBSUQTTCSA-N 0 0 440.459 1.640 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)c1 ZINC000035500527 568886615 /nfs/dbraw/zinc/88/66/15/568886615.db2.gz KHSZETQNTHVIAW-UHFFFAOYSA-N 0 0 436.578 1.768 50 0 IDAARN COc1ccc(-n2nncc2CN2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc1F ZINC000090590551 568888460 /nfs/dbraw/zinc/88/84/60/568888460.db2.gz BJZCTUWETQQCPI-UHFFFAOYSA-N 0 0 439.495 1.975 50 0 IDAARN O=C(NCCc1csc(-n2cccn2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000090609471 568891413 /nfs/dbraw/zinc/89/14/13/568891413.db2.gz MNDMBULBFGFQSI-UHFFFAOYSA-N 0 0 447.542 1.322 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)NC(=O)NC1 ZINC000012986389 568895134 /nfs/dbraw/zinc/89/51/34/568895134.db2.gz JWPOAONPDUZUCX-UHFFFAOYSA-N 0 0 433.436 1.351 50 0 IDAARN Cc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)n1 ZINC000012983410 568895318 /nfs/dbraw/zinc/89/53/18/568895318.db2.gz NUQCVUJNDPVEMU-OAQYLSRUSA-N 0 0 430.428 1.988 50 0 IDAARN O=C(CCn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000032831015 568895836 /nfs/dbraw/zinc/89/58/36/568895836.db2.gz NKYITPGMNSYOTQ-UHFFFAOYSA-N 0 0 443.447 1.790 50 0 IDAARN CC(C)C(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000013016167 568901632 /nfs/dbraw/zinc/90/16/32/568901632.db2.gz NQARLXOSVLDHIN-CYBMUJFWSA-N 0 0 446.367 1.443 50 0 IDAARN COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524729053 568903528 /nfs/dbraw/zinc/90/35/28/568903528.db2.gz ARKAUXOWBLLZPQ-GOSISDBHSA-N 0 0 430.457 1.323 50 0 biogenic IDAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCN1CCOCC1 ZINC000524729209 568903905 /nfs/dbraw/zinc/90/39/05/568903905.db2.gz IYLKNNPSHUHDLT-QFIPXVFZSA-N 0 0 434.496 1.640 50 0 biogenic IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C ZINC000239425856 568911538 /nfs/dbraw/zinc/91/15/38/568911538.db2.gz VJOFIPHKADYWFZ-RRFJBIMHSA-N 0 0 430.457 1.874 50 0 IDAARN O=C1[C@@H]2[C@H]3[C@@H]([C@@H]2C(=O)N1Cc1ccco1)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(Cc3ccco3)C(=O)[C@H]21 ZINC000239432875 568911546 /nfs/dbraw/zinc/91/15/46/568911546.db2.gz WSVQHUCRCMDNNU-YCQLZZSQSA-N 0 0 432.432 1.837 50 0 IDAARN CCOC(=O)C1=C(CN2C[C@@H](C(=O)NC)Oc3ccccc32)NC(=O)N[C@H]1c1ccco1 ZINC000241139409 568912091 /nfs/dbraw/zinc/91/20/91/568912091.db2.gz JQQFAYJWMQQASX-HKUYNNGSSA-N 0 0 440.456 1.464 50 0 IDAARN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)C1 ZINC000242273618 568912584 /nfs/dbraw/zinc/91/25/84/568912584.db2.gz YEMAYIHNZSUGJE-PWRODBHTSA-N 0 0 447.601 1.235 50 0 IDAARN CNC(=O)[C@@H]1CN(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000242389371 568912756 /nfs/dbraw/zinc/91/27/56/568912756.db2.gz ZWPMVOUAYOEALF-PXNSSMCTSA-N 0 0 443.525 1.220 50 0 IDAARN O=C(N[C@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000245256325 568913976 /nfs/dbraw/zinc/91/39/76/568913976.db2.gz OXJJHGXTIMWYAZ-DZKIICNBSA-N 0 0 446.978 1.852 50 0 IDAARN CNC(=O)NC(=O)[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccccc1 ZINC000245264981 568914290 /nfs/dbraw/zinc/91/42/90/568914290.db2.gz FGSJQBIFYRMZQY-NZCGUCNHSA-N 0 0 430.461 1.227 50 0 IDAARN O=C(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000026832217 568917606 /nfs/dbraw/zinc/91/76/06/568917606.db2.gz FPLUFDSIKJQXPG-UHFFFAOYSA-N 0 0 437.424 1.442 50 0 IDAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000089337228 568920617 /nfs/dbraw/zinc/92/06/17/568920617.db2.gz BWQWFEGBIDNRIP-UHFFFAOYSA-N 0 0 441.517 1.404 50 0 IDAARN CSc1ncc(C(=O)Nc2ccn(CC(=O)N3CCN(C)CC3)n2)n1-c1ccccc1 ZINC000089382584 568921369 /nfs/dbraw/zinc/92/13/69/568921369.db2.gz QJGURUUBWLGKBS-UHFFFAOYSA-N 0 0 439.545 1.817 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C3CC3)CCO2)ccc1Br ZINC000089404347 568922889 /nfs/dbraw/zinc/92/28/89/568922889.db2.gz DJMKLPDUKARPKC-LBPRGKRZSA-N 0 0 433.324 1.377 50 0 IDAARN COc1ccc(-n2cnnc2SCC(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1 ZINC000089455560 568925626 /nfs/dbraw/zinc/92/56/26/568925626.db2.gz DPICLNNWQQMWLY-ZDUSSCGKSA-N 0 0 434.440 1.502 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000006552937 568931176 /nfs/dbraw/zinc/93/11/76/568931176.db2.gz BQJJEDYSYXCXTR-PEBXRYMYSA-N 0 0 425.489 1.924 50 0 IDAARN O=C(C1CC1)N1CCN(c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926321 568931618 /nfs/dbraw/zinc/93/16/18/568931618.db2.gz RJXHPZRTXJIIIT-UHFFFAOYSA-N 0 0 436.560 1.146 50 0 IDAARN CCCCC(=O)N1CCN(c2nc(CN3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035925314 568931656 /nfs/dbraw/zinc/93/16/56/568931656.db2.gz XJFJMRVMZLOEKD-UHFFFAOYSA-N 0 0 438.576 1.931 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1C ZINC000006601809 568936340 /nfs/dbraw/zinc/93/63/40/568936340.db2.gz KYHKSGOFMJKKNF-UHFFFAOYSA-N 0 0 437.562 1.518 50 0 IDAARN Cc1sc2nc(CN3CCOCC3)nc(NC[C@@H](Cc3cnn(C)c3)C(N)=O)c2c1C ZINC000089565275 568937606 /nfs/dbraw/zinc/93/76/06/568937606.db2.gz SSDZZMARBXYTRC-MRXNPFEDSA-N 0 0 443.577 1.630 50 0 IDAARN COc1cccc(CN2CCC[C@]3(CCN(c4cncc(C(N)=O)n4)C3)C2=O)c1OC ZINC000426397620 568941203 /nfs/dbraw/zinc/94/12/03/568941203.db2.gz RDGDSVAWVOIMMF-JOCHJYFZSA-N 0 0 425.489 1.612 50 0 IDAARN O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085149 568947762 /nfs/dbraw/zinc/94/77/62/568947762.db2.gz FXUNLIVYVAKNIT-INIZCTEOSA-N 0 0 442.422 1.630 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036085325 568947936 /nfs/dbraw/zinc/94/79/36/568947936.db2.gz QLJODZWUHDNLNK-UHFFFAOYSA-N 0 0 430.411 1.487 50 0 IDAARN COc1cccc(Cn2c(=O)c(C(=O)NCc3ccccn3)nn(-c3ccccc3)c2=O)c1 ZINC000036086126 568948419 /nfs/dbraw/zinc/94/84/19/568948419.db2.gz SLPZXIQRLUEBDN-UHFFFAOYSA-N 0 0 443.463 1.776 50 0 IDAARN O=C(c1nn(-c2ccccc2)c(=O)n(Cc2cccc(Cl)c2)c1=O)N1CCOCC1 ZINC000036086053 568948441 /nfs/dbraw/zinc/94/84/41/568948441.db2.gz CVQCTTGXOXSKML-UHFFFAOYSA-N 0 0 426.860 1.568 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccc(C)c(F)c3)c2=O)cc1 ZINC000036088818 568949914 /nfs/dbraw/zinc/94/99/14/568949914.db2.gz HBKKVSFYQUUAJX-UHFFFAOYSA-N 0 0 438.459 1.671 50 0 IDAARN COCCCNC(=O)c1nn(-c2cccc(F)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036088478 568949917 /nfs/dbraw/zinc/94/99/17/568949917.db2.gz ORCMHWAEEWQRHQ-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036088770 568949973 /nfs/dbraw/zinc/94/99/73/568949973.db2.gz VQASBNPZMYBILZ-UHFFFAOYSA-N 0 0 426.448 1.575 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccccc2)c1=O ZINC000036089050 568950124 /nfs/dbraw/zinc/95/01/24/568950124.db2.gz ZZDVBZYHGKMUPB-UHFFFAOYSA-N 0 0 428.876 1.781 50 0 IDAARN Cc1cc(C)cc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093959 568950828 /nfs/dbraw/zinc/95/08/28/568950828.db2.gz FFAGJIVOFTULES-HXUWFJFHSA-N 0 0 434.496 1.968 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2CC(=O)N1CCCCC1 ZINC000064775041 568954397 /nfs/dbraw/zinc/95/43/97/568954397.db2.gz CHYQTAJAEYFHEH-UHFFFAOYSA-N 0 0 439.516 1.757 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cc2C[C@@H]1C ZINC000036147273 568962472 /nfs/dbraw/zinc/96/24/72/568962472.db2.gz PATJCRBAZQMTGD-RDJZCZTQSA-N 0 0 435.546 1.244 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cc2C[C@H]1C ZINC000036147269 568962506 /nfs/dbraw/zinc/96/25/06/568962506.db2.gz PATJCRBAZQMTGD-WBVHZDCISA-N 0 0 435.546 1.244 50 0 IDAARN COC(=O)Cn1c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)cc2oc1=O ZINC000064818699 568965288 /nfs/dbraw/zinc/96/52/88/568965288.db2.gz PEPDZVLRLPCXFD-UHFFFAOYSA-N 0 0 437.518 1.407 50 0 IDAARN COC(=O)Cn1c2ccc(S(=O)(=O)N(C)C[C@@H]3COc4ccccc4O3)cc2oc1=O ZINC000064818808 568965482 /nfs/dbraw/zinc/96/54/82/568965482.db2.gz ZDYYZZBLEYSDPX-CYBMUJFWSA-N 0 0 448.453 1.228 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2OC)cn1C ZINC000064818961 568965621 /nfs/dbraw/zinc/96/56/21/568965621.db2.gz VRXKZLTWCYDORA-MRXNPFEDSA-N 0 0 435.502 1.290 50 0 IDAARN COc1ccc(NC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCOCC3)CC2)cc1 ZINC000006752466 568973912 /nfs/dbraw/zinc/97/39/12/568973912.db2.gz VCLMTQWRWARJPC-UHFFFAOYSA-N 0 0 427.501 1.985 50 0 IDAARN CC[C@H](C)N1Cc2c(n(CC(=O)N3CCOCC3)c3cc(C(C)(C)C)nn3c2=O)C1=O ZINC000006754372 568974526 /nfs/dbraw/zinc/97/45/26/568974526.db2.gz QGXAXIAAWCDBAF-AWEZNQCLSA-N 0 0 429.521 1.407 50 0 IDAARN CCC(=O)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1 ZINC000036211718 568975691 /nfs/dbraw/zinc/97/56/91/568975691.db2.gz YXTPERVUZKFAQG-HXUWFJFHSA-N 0 0 431.489 1.021 50 0 IDAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2F)C(=O)NCCCOC)CC1 ZINC000036214406 568977255 /nfs/dbraw/zinc/97/72/55/568977255.db2.gz UIOOQLHEIFZMHN-SFHVURJKSA-N 0 0 438.569 1.683 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)NC(C)C)CC1 ZINC000036214336 568977308 /nfs/dbraw/zinc/97/73/08/568977308.db2.gz MHYMLDAZFBOOTG-IBGZPJMESA-N 0 0 448.520 1.106 50 0 IDAARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000036228991 568978452 /nfs/dbraw/zinc/97/84/52/568978452.db2.gz RMXBDFAGPSILAI-OCCSQVGLSA-N 0 0 432.926 1.869 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000036227493 568978603 /nfs/dbraw/zinc/97/86/03/568978603.db2.gz GVKZVRPNRRAKLM-UHFFFAOYSA-N 0 0 447.513 1.427 50 0 IDAARN COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)cc1 ZINC000064887543 568978948 /nfs/dbraw/zinc/97/89/48/568978948.db2.gz UESGQGWNMTWUEW-UHFFFAOYSA-N 0 0 435.415 1.788 50 0 IDAARN COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccccc3F)c2=O)cc1 ZINC000064887611 568978973 /nfs/dbraw/zinc/97/89/73/568978973.db2.gz SPCBLPXFPSBGNU-UHFFFAOYSA-N 0 0 435.415 1.788 50 0 IDAARN Cc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)cc1 ZINC000064887553 568979004 /nfs/dbraw/zinc/97/90/04/568979004.db2.gz LOJBARBIODAZPE-UHFFFAOYSA-N 0 0 433.443 1.765 50 0 IDAARN COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3cccc(C)c3)c2=O)c1 ZINC000064887659 568979006 /nfs/dbraw/zinc/97/90/06/568979006.db2.gz YDUXJEJYFQKHFQ-UHFFFAOYSA-N 0 0 431.452 1.957 50 0 IDAARN COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccc(C)cc3)c2=O)c1 ZINC000064887665 568979096 /nfs/dbraw/zinc/97/90/96/568979096.db2.gz ZOSBELUMTIRZLC-UHFFFAOYSA-N 0 0 431.452 1.957 50 0 IDAARN CC[C@H](C)NC(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)no1 ZINC000064888364 568979521 /nfs/dbraw/zinc/97/95/21/568979521.db2.gz GUWWKOJTENNKCQ-NSHDSACASA-N 0 0 432.868 1.482 50 0 IDAARN O=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000064888552 568979685 /nfs/dbraw/zinc/97/96/85/568979685.db2.gz GDYZQLUBILGQAX-UHFFFAOYSA-N 0 0 438.503 1.341 50 0 IDAARN O=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)N1CCN(c2ccccc2F)CC1 ZINC000064888571 568979693 /nfs/dbraw/zinc/97/96/93/568979693.db2.gz NRHMTEFYDJDUDY-UHFFFAOYSA-N 0 0 442.466 1.484 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000064889304 568979864 /nfs/dbraw/zinc/97/98/64/568979864.db2.gz YSYHSULEMKUZGW-UHFFFAOYSA-N 0 0 445.501 1.887 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3ccsc3)CC1)O[C@H](C)C(=O)N2 ZINC000064889675 568980449 /nfs/dbraw/zinc/98/04/49/568980449.db2.gz MNGDTNWGXIQSHY-CYBMUJFWSA-N 0 0 435.527 1.923 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccco4)CC3)cc2NC1=O ZINC000064890057 568980761 /nfs/dbraw/zinc/98/07/61/568980761.db2.gz MHXUCPBLFIUBJU-GBXSZLQWSA-N 0 0 431.470 1.545 50 0 IDAARN COC(=O)[C@H](C)NC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926134 568986882 /nfs/dbraw/zinc/98/68/82/568986882.db2.gz CYLHWFSEAVPABA-KRWDZBQOSA-N 0 0 449.511 1.838 50 0 IDAARN CC[C@H](C)N(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccccc1OC ZINC000169680002 568990392 /nfs/dbraw/zinc/99/03/92/568990392.db2.gz XKCUQPYRAFOFMZ-PCCBWWKXSA-N 0 0 449.592 1.330 50 0 IDAARN COc1cc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)cc(OC)c1 ZINC000064943660 568993146 /nfs/dbraw/zinc/99/31/46/568993146.db2.gz WPFWPVOZMDETCU-UHFFFAOYSA-N 0 0 447.444 1.871 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CCC3)n2)CC1 ZINC000064946960 568993697 /nfs/dbraw/zinc/99/36/97/568993697.db2.gz QYKFEBMJNAHTEE-UHFFFAOYSA-N 0 0 433.490 1.229 50 0 IDAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)N3CCCC3)c2C(=O)N1C1CC1 ZINC000064954066 568997853 /nfs/dbraw/zinc/99/78/53/568997853.db2.gz OMHRQNCPFVQRHW-HSZRJFAPSA-N 0 0 439.491 1.952 50 0 IDAARN CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4nc5cccnc5s4)CC3)ccc21 ZINC000064955372 568998208 /nfs/dbraw/zinc/99/82/08/568998208.db2.gz YWIWBPUGLZDLPP-UHFFFAOYSA-N 0 0 429.527 1.721 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)c1 ZINC000064957491 568999659 /nfs/dbraw/zinc/99/96/59/568999659.db2.gz DAIVSWOMYJORHR-UHFFFAOYSA-N 0 0 432.550 1.048 50 0 IDAARN CCCNC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000064966576 569001363 /nfs/dbraw/zinc/00/13/63/569001363.db2.gz PEVLGZIIKSFXEI-SFHVURJKSA-N 0 0 434.562 1.703 50 0 IDAARN COC(=O)c1ccc(CNC(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000036329878 569076607 /nfs/dbraw/zinc/07/66/07/569076607.db2.gz VMWFJFBOUIJDBP-UHFFFAOYSA-N 0 0 445.541 1.237 50 0 IDAARN O=C(NCCCn1ccnc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036355035 569084308 /nfs/dbraw/zinc/08/43/08/569084308.db2.gz ZDPYBEDRXAIDAE-QGZVFWFLSA-N 0 0 445.545 1.227 50 0 IDAARN O=C(NCCCn1ccnc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036355038 569084333 /nfs/dbraw/zinc/08/43/33/569084333.db2.gz ZDPYBEDRXAIDAE-KRWDZBQOSA-N 0 0 445.545 1.227 50 0 IDAARN O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000036356914 569084490 /nfs/dbraw/zinc/08/44/90/569084490.db2.gz QVJCIKAJSSLYGY-HNNXBMFYSA-N 0 0 445.497 1.405 50 0 IDAARN CNC(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)N3CCCC3)o2)n1 ZINC000036359922 569086551 /nfs/dbraw/zinc/08/65/51/569086551.db2.gz RXXRZAHJBZNQCN-UHFFFAOYSA-N 0 0 432.458 1.906 50 0 IDAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000036369734 569088452 /nfs/dbraw/zinc/08/84/52/569088452.db2.gz IFGOVMJYCMDUSM-JKSUJKDBSA-N 0 0 432.480 1.529 50 0 biogenic IDAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4cc(=O)n(C)c(=O)n4C)C3)CC2)c1C ZINC000065024110 569089470 /nfs/dbraw/zinc/08/94/70/569089470.db2.gz VAHNZGNLTMBBJG-LJQANCHMSA-N 0 0 439.560 1.266 50 0 IDAARN CCn1c(N2CCC[C@@H](C(=O)NCc3ccc(OC)cc3OC)C2)cc(=O)n(C)c1=O ZINC000065024021 569089499 /nfs/dbraw/zinc/08/94/99/569089499.db2.gz RAOOXYKQDLJRNJ-MRXNPFEDSA-N 0 0 430.505 1.117 50 0 IDAARN COc1cccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c1 ZINC000065029975 569091268 /nfs/dbraw/zinc/09/12/68/569091268.db2.gz SWSBQMCRORDYLS-UHFFFAOYSA-N 0 0 432.506 1.948 50 0 IDAARN CCn1c2c(ccn2CC(=O)N2CCN(c3ccccc3OC)CC2)c(=O)n(CC)c1=O ZINC000065030802 569091353 /nfs/dbraw/zinc/09/13/53/569091353.db2.gz KBDQSWSJMWRUNB-UHFFFAOYSA-N 0 0 439.516 1.362 50 0 IDAARN Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000065030972 569091367 /nfs/dbraw/zinc/09/13/67/569091367.db2.gz YCHTXSUUGNKGBC-UHFFFAOYSA-N 0 0 429.908 1.349 50 0 IDAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000036384131 569092788 /nfs/dbraw/zinc/09/27/88/569092788.db2.gz DCRMAZQIEYXLMF-HXUWFJFHSA-N 0 0 433.574 1.403 50 0 IDAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000036386019 569092832 /nfs/dbraw/zinc/09/28/32/569092832.db2.gz GUCHXODHYYVEIX-KRWDZBQOSA-N 0 0 445.541 1.932 50 0 IDAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000036385495 569093012 /nfs/dbraw/zinc/09/30/12/569093012.db2.gz FVHJCERDBFBNCS-UHFFFAOYSA-N 0 0 429.905 1.764 50 0 IDAARN NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000036386880 569093415 /nfs/dbraw/zinc/09/34/15/569093415.db2.gz BGYRTTSFDSIBIR-HXUWFJFHSA-N 0 0 442.541 1.322 50 0 IDAARN Cc1ccc(-c2ncc3c(=O)n(CC(=O)NCCCOC(C)C)c(=O)n(C)c3n2)cc1 ZINC000065057189 569095168 /nfs/dbraw/zinc/09/51/68/569095168.db2.gz KIPFSUHJUQGJHM-UHFFFAOYSA-N 0 0 425.489 1.397 50 0 IDAARN CCOc1ccccc1CNC(=O)Cn1c(=O)c2cnc(-c3ccccc3)nc2n(C)c1=O ZINC000065057419 569095698 /nfs/dbraw/zinc/09/56/98/569095698.db2.gz GGPFISKAINAPHR-UHFFFAOYSA-N 0 0 445.479 1.872 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCCN2CCOCC2)CC1 ZINC000065061443 569096349 /nfs/dbraw/zinc/09/63/49/569096349.db2.gz SPOZXYFGPYMTHB-HNNXBMFYSA-N 0 0 442.582 1.167 50 0 IDAARN COc1cc(C(=O)NCC(=O)NCc2ccnc(N3CCCC3)c2)cc(OC)c1OC ZINC000036395015 569098701 /nfs/dbraw/zinc/09/87/01/569098701.db2.gz VYXCKQCSKIDTCY-UHFFFAOYSA-N 0 0 428.489 1.754 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(NC(=O)c4ccncc4)CC3)cc2C[C@@H]1C ZINC000036395787 569098807 /nfs/dbraw/zinc/09/88/07/569098807.db2.gz WVQFKNZFFFVRSY-HNNXBMFYSA-N 0 0 442.541 1.962 50 0 IDAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)Cc2ccc(-n3cnnn3)cc2)c1 ZINC000036395932 569098857 /nfs/dbraw/zinc/09/88/57/569098857.db2.gz SXXMNUOEHPMAGV-UHFFFAOYSA-N 0 0 449.876 1.444 50 0 IDAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccccc4)CC3)ccc21 ZINC000065075799 569099748 /nfs/dbraw/zinc/09/97/48/569099748.db2.gz DUFZOMWVQFVZLE-JXMROGBWSA-N 0 0 427.482 1.678 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)COc4ccccc4)CC3)cc2oc1=O ZINC000065075869 569099891 /nfs/dbraw/zinc/09/98/91/569099891.db2.gz ZGTSSBSPYWCMFT-UHFFFAOYSA-N 0 0 445.497 1.526 50 0 IDAARN CCOC(=O)C1=C(CN2CCC[C@@H]2C(=O)NCc2ccco2)NC(=O)N[C@H]1c1ccco1 ZINC000036397133 569100135 /nfs/dbraw/zinc/10/01/35/569100135.db2.gz KKZZSMQOEQDIOB-APWZRJJASA-N 0 0 442.472 1.825 50 0 IDAARN C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000036398091 569101131 /nfs/dbraw/zinc/10/11/31/569101131.db2.gz COKHTYQNUPHFRN-INIZCTEOSA-N 0 0 432.546 1.727 50 0 IDAARN COc1ccc(CCC(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1 ZINC000169777020 569102319 /nfs/dbraw/zinc/10/23/19/569102319.db2.gz GDKWJJQNUMNBHP-UHFFFAOYSA-N 0 0 437.500 1.693 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000036405702 569103312 /nfs/dbraw/zinc/10/33/12/569103312.db2.gz OADQKSFIJAHWRH-UHFFFAOYSA-N 0 0 431.514 1.977 50 0 IDAARN O=C(c1nnc(-c2csc(S(=O)(=O)NC[C@@H]3CCCO3)c2)o1)N1CCCCC1 ZINC000065098964 569104870 /nfs/dbraw/zinc/10/48/70/569104870.db2.gz JZIVSOIWJRXMQC-ZDUSSCGKSA-N 0 0 426.520 1.882 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)NCc4cccs4)c(=O)c3s2)CC1 ZINC000065101072 569105701 /nfs/dbraw/zinc/10/57/01/569105701.db2.gz NJFVLQZRUCWAPG-UHFFFAOYSA-N 0 0 446.558 1.193 50 0 IDAARN CCCCn1nc2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cccn2c1=O ZINC000065129429 569108809 /nfs/dbraw/zinc/10/88/09/569108809.db2.gz DRLYILRTHISLOG-UHFFFAOYSA-N 0 0 433.509 1.946 50 0 IDAARN Cc1nc(-c2cc(S(=O)(=O)N3CCN(C)CC3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137418 569110431 /nfs/dbraw/zinc/11/04/31/569110431.db2.gz VLDJMFRRNKLLKC-UHFFFAOYSA-N 0 0 437.591 1.629 50 0 IDAARN COc1cccc(Oc2nccn3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)nc23)c1 ZINC000065150709 569111228 /nfs/dbraw/zinc/11/12/28/569111228.db2.gz ZHRWDPRFEZYPRS-UHFFFAOYSA-N 0 0 449.423 1.737 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3c(N4CCCCCC4)nccn3c2=O)c(OC)c1 ZINC000065151517 569111333 /nfs/dbraw/zinc/11/13/33/569111333.db2.gz YHPDXISIMQMGQC-UHFFFAOYSA-N 0 0 426.477 1.927 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)cc1 ZINC000065151883 569111413 /nfs/dbraw/zinc/11/14/13/569111413.db2.gz 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CCn1nc(C)n2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2c1=O ZINC000065247012 569121888 /nfs/dbraw/zinc/12/18/88/569121888.db2.gz QQQSWCXNLGBJRQ-UHFFFAOYSA-N 0 0 435.937 1.989 50 0 IDAARN Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c12 ZINC000036613572 569123987 /nfs/dbraw/zinc/12/39/87/569123987.db2.gz DMPMGKDIGIOCKS-UHFFFAOYSA-N 0 0 427.530 1.970 50 0 IDAARN COc1nc(N=NCc2cc3c(cc2Br)OCO3)nc(N2CCOCC2)n1 ZINC000013143631 569125662 /nfs/dbraw/zinc/12/56/62/569125662.db2.gz CQSVPRBBMZTZBV-UHFFFAOYSA-N 0 0 437.254 1.654 50 0 IDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 ZINC000524732521 569127463 /nfs/dbraw/zinc/12/74/63/569127463.db2.gz LUQUZGDYORUBAO-UHFFFAOYSA-N 0 0 435.550 1.257 50 0 IDAARN Cc1c(C)[n+]([O-])c([C@H](c2ccc(C(C)C)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CC[NH+](C)C ZINC000524734680 569127721 /nfs/dbraw/zinc/12/77/21/569127721.db2.gz CCMSMXIOXFFQHW-GOSISDBHSA-N 0 0 441.532 1.537 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)N[C@H]1CCS(=O)(=O)C1 ZINC000524734625 569127798 /nfs/dbraw/zinc/12/77/98/569127798.db2.gz WOULUQYUSHSAAF-XOBRGWDASA-N 0 0 439.493 1.495 50 0 IDAARN O=C(c1c2c(sc1-n1cnnn1)CCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000524735486 569128148 /nfs/dbraw/zinc/12/81/48/569128148.db2.gz FNGOLVYKXNBNOV-UHFFFAOYSA-N 0 0 444.542 1.359 50 0 IDAARN C=C1C(N2CCCN(C(=O)NCCC(=O)OCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271897 569128717 /nfs/dbraw/zinc/12/87/17/569128717.db2.gz OSWSHPRRPXRZHK-UHFFFAOYSA-N 0 0 448.545 1.830 50 0 IDAARN C=C1C(N2CCCN(C(=O)N[C@H](C)C(=O)OCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271898 569128750 /nfs/dbraw/zinc/12/87/50/569128750.db2.gz PWKMVKAAWCMHNT-MRXNPFEDSA-N 0 0 448.545 1.828 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)Cc2csc(NC(=O)c3cnccn3)n2)n1 ZINC000036657910 569130230 /nfs/dbraw/zinc/13/02/30/569130230.db2.gz JIZVZCSUNCIVAJ-UHFFFAOYSA-N 0 0 432.487 1.929 50 0 IDAARN O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000036647038 569130404 /nfs/dbraw/zinc/13/04/04/569130404.db2.gz 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CC(=O)N1c2ccc(S(=O)(=O)NCCOc3cc(N4CCCC4)ncn3)cc2C[C@@H]1C ZINC000036708034 569134769 /nfs/dbraw/zinc/13/47/69/569134769.db2.gz GNGILPPNXJOMAS-HNNXBMFYSA-N 0 0 445.545 1.732 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314207 569135478 /nfs/dbraw/zinc/13/54/78/569135478.db2.gz SGYBYSZTVQINOU-NRFANRHFSA-N 0 0 439.560 1.347 50 0 IDAARN CC1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3C(C)(C)C2=O)CC1 ZINC000065314832 569135742 /nfs/dbraw/zinc/13/57/42/569135742.db2.gz WMUVNXSDXRVPMR-UHFFFAOYSA-N 0 0 449.573 1.590 50 0 IDAARN O=S(=O)(c1c[nH]cn1)N1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000238889330 569137716 /nfs/dbraw/zinc/13/77/16/569137716.db2.gz QLFFIIJXPQQANA-UHFFFAOYSA-N 0 0 438.453 1.514 50 0 IDAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000238930852 569137956 /nfs/dbraw/zinc/13/79/56/569137956.db2.gz VBKJGJCSWJZBJA-UHFFFAOYSA-N 0 0 430.452 1.905 50 0 IDAARN COCCN(CCOC)CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000036796020 569137972 /nfs/dbraw/zinc/13/79/72/569137972.db2.gz RPJGQQFTYAXUSE-UHFFFAOYSA-N 0 0 439.578 1.345 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COCCOC)c1 ZINC000036797726 569138034 /nfs/dbraw/zinc/13/80/34/569138034.db2.gz DBRAHEANFYSDMS-UHFFFAOYSA-N 0 0 429.539 1.155 50 0 IDAARN O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000065515085 569139004 /nfs/dbraw/zinc/13/90/04/569139004.db2.gz MCXPJUPCGSKDGC-MSOLQXFVSA-N 0 0 430.505 1.839 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)C3CN(c4cc(-n5cccn5)ncn4)C3)CC2)cc1 ZINC000239578939 569139573 /nfs/dbraw/zinc/13/95/73/569139573.db2.gz DBOSHJZXGNOPTE-UHFFFAOYSA-N 0 0 431.500 1.650 50 0 IDAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cc3c(cc2Cl)OCCO3)C[C@H](C)O1 ZINC000065575615 569139868 /nfs/dbraw/zinc/13/98/68/569139868.db2.gz TVPBVICOEOHNTK-RYUDHWBXSA-N 0 0 433.914 1.672 50 0 IDAARN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000065590304 569139941 /nfs/dbraw/zinc/13/99/41/569139941.db2.gz YSVONJXWRUZMKI-IDTFUJSHSA-N 0 0 431.558 1.360 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000007425570 569140183 /nfs/dbraw/zinc/14/01/83/569140183.db2.gz UTGMBHRCKXNUEY-INIZCTEOSA-N 0 0 427.505 1.408 50 0 IDAARN CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000240068192 569140514 /nfs/dbraw/zinc/14/05/14/569140514.db2.gz SMWDBPKQNHBCGZ-IKOXMDCHSA-N 0 0 433.301 1.047 50 0 IDAARN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000037198721 569140635 /nfs/dbraw/zinc/14/06/35/569140635.db2.gz UOPRJZJCNJXEPB-IAGOWNOFSA-N 0 0 440.566 1.138 50 0 IDAARN COc1ccc(Br)cc1CCC(=O)N1CC(S(=O)(=O)c2nccn2C)C1 ZINC000240104302 569140701 /nfs/dbraw/zinc/14/07/01/569140701.db2.gz UPHYKJCOEXMNLN-UHFFFAOYSA-N 0 0 442.335 1.809 50 0 IDAARN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(C)c2nc3ccccc3n2C)s1 ZINC000170596016 569141558 /nfs/dbraw/zinc/14/15/58/569141558.db2.gz BKVCBMWCMNQQQY-UHFFFAOYSA-N 0 0 442.588 1.942 50 0 IDAARN COC(=O)c1cccc(C(C)(C)C)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000170596299 569141894 /nfs/dbraw/zinc/14/18/94/569141894.db2.gz XZPPUPJJSFBRBF-UHFFFAOYSA-N 0 0 427.461 1.157 50 0 IDAARN COC(=O)C[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccncc1 ZINC000170600782 569142943 /nfs/dbraw/zinc/14/29/43/569142943.db2.gz CTPBXDPKSRIBEX-FQEVSTJZSA-N 0 0 435.477 1.870 50 0 IDAARN CN1CCCN(C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1=O ZINC000170604671 569143564 /nfs/dbraw/zinc/14/35/64/569143564.db2.gz IPXBMAHVZUMDCY-UHFFFAOYSA-N 0 0 433.555 1.799 50 0 IDAARN Cc1cc(C)c(C(=O)CCCC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(C)c1 ZINC000170605287 569143754 /nfs/dbraw/zinc/14/37/54/569143754.db2.gz MUCRCYDIOXWYRN-UHFFFAOYSA-N 0 0 441.532 1.454 50 0 IDAARN CCOc1cc(C)nc(N2CCN(C(=O)C3=NO[C@H](CNC(=O)OC(C)(C)C)C3)CC2)n1 ZINC000170608002 569144113 /nfs/dbraw/zinc/14/41/13/569144113.db2.gz QXVSXDNWZSCLLW-HNNXBMFYSA-N 0 0 448.524 1.502 50 0 IDAARN CCc1cccc(OC[C@@H](O)Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000170624414 569148092 /nfs/dbraw/zinc/14/80/92/569148092.db2.gz PHIVOQXRPOJMTC-INIZCTEOSA-N 0 0 438.488 1.228 50 0 IDAARN Cc1nccn1-c1ccc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nn1 ZINC000070998524 569149117 /nfs/dbraw/zinc/14/91/17/569149117.db2.gz YQPUIFUXFFHVGI-UHFFFAOYSA-N 0 0 430.472 1.029 50 0 IDAARN Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)ncn3n2)c1 ZINC000071010748 569149241 /nfs/dbraw/zinc/14/92/41/569149241.db2.gz UGUWUDQMSNAWGY-UHFFFAOYSA-N 0 0 443.511 1.919 50 0 IDAARN O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009870278 569149414 /nfs/dbraw/zinc/14/94/14/569149414.db2.gz BNPGUAQCIBJRLB-LJQANCHMSA-N 0 0 429.498 1.371 50 0 IDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000009882333 569149659 /nfs/dbraw/zinc/14/96/59/569149659.db2.gz JCYOFCXWCMDGHB-QGZVFWFLSA-N 0 0 432.498 1.915 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000009883667 569150124 /nfs/dbraw/zinc/15/01/24/569150124.db2.gz HNQJGTIUOMEYCP-KBPBESRZSA-N 0 0 447.513 1.960 50 0 IDAARN COC(=O)c1sccc1NC(=O)C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000071282637 569151010 /nfs/dbraw/zinc/15/10/10/569151010.db2.gz CEAUVEBGJXBDDC-AWEZNQCLSA-N 0 0 432.502 1.781 50 0 IDAARN COC(=O)c1sccc1NC(=O)C[C@H](C[NH+]1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000071282638 569151016 /nfs/dbraw/zinc/15/10/16/569151016.db2.gz CEAUVEBGJXBDDC-CQSZACIVSA-N 0 0 432.502 1.781 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)OC)C(C)C)c1 ZINC000009956125 569151252 /nfs/dbraw/zinc/15/12/52/569151252.db2.gz VGJXLRKMQSIIIR-YOEHRIQHSA-N 0 0 441.550 1.149 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)OC)C(C)C)c1 ZINC000009956127 569151280 /nfs/dbraw/zinc/15/12/80/569151280.db2.gz VGJXLRKMQSIIIR-WMLDXEAASA-N 0 0 441.550 1.149 50 0 IDAARN Nc1nc(CSc2nnc([C@H]3CCS(=O)(=O)C3)o2)nc(Nc2ccc(F)cc2)n1 ZINC000010027000 569151700 /nfs/dbraw/zinc/15/17/00/569151700.db2.gz BQHFFSUIDMYRTK-VIFPVBQESA-N 0 0 437.482 1.914 50 0 IDAARN COC(=O)c1ccc(NC(=O)COc2coc(CSc3nncn3C)cc2=O)cc1 ZINC000010220373 569152941 /nfs/dbraw/zinc/15/29/41/569152941.db2.gz MGEWWWUBXHFBLJ-UHFFFAOYSA-N 0 0 430.442 1.865 50 0 IDAARN Cc1cc(O)c(C(c2cccc(F)c2)c2c(O)cc(C)n(CCO)c2=O)c(=O)n1CCO ZINC000010217762 569153372 /nfs/dbraw/zinc/15/33/72/569153372.db2.gz KSMSLORYDYWKLO-UHFFFAOYSA-N 0 0 444.459 1.342 50 0 IDAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccco2)CS(=O)(=O)C3)cc1 ZINC000010219757 569153836 /nfs/dbraw/zinc/15/38/36/569153836.db2.gz OFPHAMVGSXKISE-UHFFFAOYSA-N 0 0 430.442 1.157 50 0 IDAARN CN1CCN(n2c(=O)nc(SCC(=O)NCCc3ccccc3)c3c2CCCC3)CC1 ZINC000010255179 569153961 /nfs/dbraw/zinc/15/39/61/569153961.db2.gz NZPRSZWVOZVBFS-UHFFFAOYSA-N 0 0 441.601 1.457 50 0 IDAARN CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000010385976 569154418 /nfs/dbraw/zinc/15/44/18/569154418.db2.gz ZLXDDYLSRFNSDG-AWEZNQCLSA-N 0 0 435.912 1.739 50 0 IDAARN C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000249697102 569155429 /nfs/dbraw/zinc/15/54/29/569155429.db2.gz UHEIRMRCKHGZAA-WMHQRMGPSA-N 0 0 428.441 1.668 50 0 IDAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 ZINC000013688095 569156568 /nfs/dbraw/zinc/15/65/68/569156568.db2.gz CEVOSYZYPKOCBS-UHYCVJNDSA-N 0 0 442.603 1.773 50 0 IDAARN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000013691368 569156726 /nfs/dbraw/zinc/15/67/26/569156726.db2.gz KWLNFGDEEHKUGA-UHFFFAOYSA-N 0 0 438.527 1.973 50 0 IDAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000014237197 569158226 /nfs/dbraw/zinc/15/82/26/569158226.db2.gz MQWUPTAKMWZBQY-MRXNPFEDSA-N 0 0 438.527 1.091 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3n[nH]c4ccccc43)CC2)cc1 ZINC000089638913 569160271 /nfs/dbraw/zinc/16/02/71/569160271.db2.gz GAIUVZBOVBFNBM-UHFFFAOYSA-N 0 0 442.497 1.561 50 0 IDAARN Cc1ccc(NC(=O)COc2ccccc2CC(N)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000089651259 569160500 /nfs/dbraw/zinc/16/05/00/569160500.db2.gz GAXSHWTYYMHEGI-UHFFFAOYSA-N 0 0 447.513 1.061 50 0 IDAARN COc1cccc(-c2nc(SCC(=O)N3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000016837367 569162602 /nfs/dbraw/zinc/16/26/02/569162602.db2.gz HDYLKGQEESGPHS-UHFFFAOYSA-N 0 0 441.513 1.417 50 0 IDAARN COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 ZINC000016841402 569163245 /nfs/dbraw/zinc/16/32/45/569163245.db2.gz DMSNODGZOMYXGN-UHFFFAOYSA-N 0 0 431.452 1.957 50 0 IDAARN O=C1NC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C(=O)N1CCOc1ccccc1 ZINC000016847650 569164123 /nfs/dbraw/zinc/16/41/23/569164123.db2.gz KCDASSZMNIVANB-UHFFFAOYSA-N 0 0 447.488 1.980 50 0 IDAARN CCOC(=O)c1sc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c(C(=O)OCC)c1C ZINC000016847832 569164214 /nfs/dbraw/zinc/16/42/14/569164214.db2.gz RGUXJCHJIFPMDF-LLVKDONJSA-N 0 0 432.520 1.772 50 0 IDAARN CCOc1ccc(C(=O)NCCN2CCn3cc(OC)c(=O)cc3C2=O)cc1OCC ZINC000016850496 569164765 /nfs/dbraw/zinc/16/47/65/569164765.db2.gz WHFHUGPFOSCKCZ-UHFFFAOYSA-N 0 0 429.473 1.540 50 0 IDAARN COc1ccc(CCNC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1OC ZINC000016850933 569164900 /nfs/dbraw/zinc/16/49/00/569164900.db2.gz DYZLXQDGBXXAAL-OAHLLOKOSA-N 0 0 433.530 1.721 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2cccc(NC(C)=O)c2)c3=O)cc1 ZINC000016890570 569165465 /nfs/dbraw/zinc/16/54/65/569165465.db2.gz ABEPEFVEPDMXBG-UHFFFAOYSA-N 0 0 433.428 1.583 50 0 IDAARN COC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000089914343 569167460 /nfs/dbraw/zinc/16/74/60/569167460.db2.gz WWFWTKJEQCVVTF-QKKBWIMNSA-N 0 0 434.395 1.958 50 0 IDAARN CC[C@@H](SC)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000089941913 569168452 /nfs/dbraw/zinc/16/84/52/569168452.db2.gz BGSFDKHCPKRCJC-OAHLLOKOSA-N 0 0 446.547 1.339 50 0 IDAARN CCCCCCn1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)c(=O)[nH]c1=O ZINC000089953416 569168699 /nfs/dbraw/zinc/16/86/99/569168699.db2.gz WUTHZPLBXHUSBP-UHFFFAOYSA-N 0 0 435.506 1.661 50 0 IDAARN CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)N1CCCS1(=O)=O ZINC000089950183 569168708 /nfs/dbraw/zinc/16/87/08/569168708.db2.gz ZOMOMWMEQUKBAK-MOPGFXCFSA-N 0 0 442.626 1.126 50 0 IDAARN CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000089967624 569169032 /nfs/dbraw/zinc/16/90/32/569169032.db2.gz MEYQMXSQRUGTKE-UHFFFAOYSA-N 0 0 430.958 1.143 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 ZINC000017011514 569170343 /nfs/dbraw/zinc/17/03/43/569170343.db2.gz VPOFVGDOSRDAKT-GDBMZVCRSA-N 0 0 432.502 1.551 50 0 IDAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017053142 569171958 /nfs/dbraw/zinc/17/19/58/569171958.db2.gz AQTHGUHGTFEHFE-UHFFFAOYSA-N 0 0 427.526 1.889 50 0 IDAARN CC(C)CNC(=O)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000017113205 569174161 /nfs/dbraw/zinc/17/41/61/569174161.db2.gz CUPOZNFSVYJOAT-OAQYLSRUSA-N 0 0 427.524 1.972 50 0 IDAARN Cc1ccc2nc(NC(=O)CSc3nc(C)nc4c3c(=O)n(C)c(=O)n4C)sc2c1 ZINC000017122122 569174220 /nfs/dbraw/zinc/17/42/20/569174220.db2.gz FPCDUDLCZAKSQK-UHFFFAOYSA-N 0 0 442.526 1.985 50 0 IDAARN Cc1cccc(C2N=NC(=S)N2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000017126846 569174342 /nfs/dbraw/zinc/17/43/42/569174342.db2.gz YPSIUZJLFZVYMJ-UHFFFAOYSA-N 0 0 431.543 1.549 50 0 IDAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)c1 ZINC000017135564 569174412 /nfs/dbraw/zinc/17/44/12/569174412.db2.gz LEQWYZLZPRUAHH-UHFFFAOYSA-N 0 0 440.529 1.694 50 0 IDAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)N1CCNC1=O ZINC000017165447 569175149 /nfs/dbraw/zinc/17/51/49/569175149.db2.gz UNCUIBGHFAFBKN-UHFFFAOYSA-N 0 0 438.278 1.396 50 0 IDAARN O=C(NCc1ccncc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169776 569175319 /nfs/dbraw/zinc/17/53/19/569175319.db2.gz GPWDKNAXSNQPLW-GOSISDBHSA-N 0 0 431.445 1.761 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000002128886 569184267 /nfs/dbraw/zinc/18/42/67/569184267.db2.gz PCTAVKIIFJGKCY-SAQZZPNQSA-N 0 0 425.485 1.831 50 0 biogenic IDAARN COc1cc(C=c2sc(=CC(=O)Nc3ccccc3OC)n(C)c2=O)cc(OC)c1 ZINC000252460072 569184438 /nfs/dbraw/zinc/18/44/38/569184438.db2.gz BJQAXJWVCODIHK-UHFFFAOYSA-N 0 0 426.494 1.721 50 0 IDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@@H](CCC(=O)[O-])[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000002134326 569185250 /nfs/dbraw/zinc/18/52/50/569185250.db2.gz AHGOZVVUHWJLQW-QYUDBREXSA-N 0 0 425.485 1.913 50 0 biogenic IDAARN Cc1cc(NC(=O)C2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)C[C@H](C)C4)C3=O)CC2)no1 ZINC000252476930 569185772 /nfs/dbraw/zinc/18/57/72/569185772.db2.gz DZIHSNZLTUTLRI-HSAQVAQVSA-N 0 0 445.520 1.907 50 0 IDAARN CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 ZINC000252477620 569186024 /nfs/dbraw/zinc/18/60/24/569186024.db2.gz RKYINZCAYGIIIB-FXAWDEMLSA-N 0 0 438.571 1.251 50 0 IDAARN CC(C)[C@H](C(=O)N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)N1CCCS1(=O)=O ZINC000252480166 569186214 /nfs/dbraw/zinc/18/62/14/569186214.db2.gz BXEIAYAWZFPJLY-YESZJQIVSA-N 0 0 429.583 1.904 50 0 IDAARN Cn1ccc2cc([C@@H](O)CNC(=O)C(=O)Nc3cc4c5c(c3)CCC(=O)N5CC4)ccc21 ZINC000252498702 569187979 /nfs/dbraw/zinc/18/79/79/569187979.db2.gz RIWSMLOPQATZAR-FQEVSTJZSA-N 0 0 432.480 1.802 50 0 IDAARN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)C1 ZINC000252512544 569188874 /nfs/dbraw/zinc/18/88/74/569188874.db2.gz SAKXMESJAUPEBZ-ZCNNSNEGSA-N 0 0 428.581 1.342 50 0 IDAARN Cc1cc(N2CC[C@H](N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)C2=O)n(C)n1 ZINC000170645349 569189045 /nfs/dbraw/zinc/18/90/45/569189045.db2.gz IFHOZUCQQNNXIK-IBGZPJMESA-N 0 0 445.589 1.766 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)CCSC)C2=O)cc1OC ZINC000252518119 569189312 /nfs/dbraw/zinc/18/93/12/569189312.db2.gz AAZIOVLUOKHVBB-HUUCEWRRSA-N 0 0 439.534 1.339 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H](CO)c1ccccc1 ZINC000252523078 569189625 /nfs/dbraw/zinc/18/96/25/569189625.db2.gz BVHZVEHOLMDNHG-IAGOWNOFSA-N 0 0 425.441 1.670 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCc1nnc2ccccn21 ZINC000252536364 569189848 /nfs/dbraw/zinc/18/98/48/569189848.db2.gz IGVKTNBARIUTSU-QGZVFWFLSA-N 0 0 438.463 1.675 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000252540599 569190325 /nfs/dbraw/zinc/19/03/25/569190325.db2.gz PQGICGDPDAMTNK-CYBMUJFWSA-N 0 0 436.394 1.744 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000252572359 569191161 /nfs/dbraw/zinc/19/11/61/569191161.db2.gz ZBPMHAWLHCGERF-QZTJIDSGSA-N 0 0 439.468 1.540 50 0 IDAARN CCC(=O)NCc1cc(S(=O)(=O)NCc2nc(-c3ccncc3)no2)ccc1OC ZINC000170687092 569195566 /nfs/dbraw/zinc/19/55/66/569195566.db2.gz RQPYUJHPFNSLSU-UHFFFAOYSA-N 0 0 431.474 1.645 50 0 IDAARN CC(C)(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCCN2CCOCC2)CC1 ZINC000037525667 569199229 /nfs/dbraw/zinc/19/92/29/569199229.db2.gz JIAWPQRGPSFGQF-UHFFFAOYSA-N 0 0 431.581 1.815 50 0 IDAARN CCN(CCC(=O)NCCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037577875 569201505 /nfs/dbraw/zinc/20/15/05/569201505.db2.gz VTMXJHBZELEPIJ-UHFFFAOYSA-N 0 0 441.532 1.544 50 0 IDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3ccccc3NC2=O)C(C(=O)OCC)=C(N)O1 ZINC000002214352 569202793 /nfs/dbraw/zinc/20/27/93/569202793.db2.gz ABTMEVQITDTIBH-JOCHJYFZSA-N 0 0 444.440 1.411 50 0 IDAARN CCOC(=O)c1ccc(N2CN=c3sc(=C4c5ccccc5N(C)C4=O)c(=O)n3C2)cc1 ZINC000252669928 569209959 /nfs/dbraw/zinc/20/99/59/569209959.db2.gz JAGNSZGMXDRHJM-UHFFFAOYSA-N 0 0 448.504 1.317 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(C)nc3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252672079 569210023 /nfs/dbraw/zinc/21/00/23/569210023.db2.gz PCMOOVFYSGKIJU-IBGZPJMESA-N 0 0 438.509 1.459 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)C1=O ZINC000023948112 569257425 /nfs/dbraw/zinc/25/74/25/569257425.db2.gz BRBLYGKXWYNOGY-DEOSSOPVSA-N 0 0 448.479 1.924 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1 ZINC000028645896 569257519 /nfs/dbraw/zinc/25/75/19/569257519.db2.gz XYORIWJSIANQMJ-UHFFFAOYSA-N 0 0 431.565 1.890 50 0 IDAARN COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(c4nc(C)ns4)CC3)c2)nn1 ZINC000253415618 569266230 /nfs/dbraw/zinc/26/62/30/569266230.db2.gz DELCYAGKKDKMPS-UHFFFAOYSA-N 0 0 428.478 1.568 50 0 IDAARN CCOc1ccc(S(=O)(=O)NCCO)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 ZINC000002290832 569267878 /nfs/dbraw/zinc/26/78/78/569267878.db2.gz ZYXYEWKVTATYOK-UHFFFAOYSA-N 0 0 449.533 1.290 50 0 IDAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1cccnc1OCC(F)(F)F ZINC000106020337 569270931 /nfs/dbraw/zinc/27/09/31/569270931.db2.gz YSPNCKVGNLVOKF-UHFFFAOYSA-N 0 0 442.419 1.768 50 0 IDAARN CC12CN(S(=O)(=O)c3ccccc3)CC(C)(CN(S(=O)(=O)c3ccccc3)C1)C2=O ZINC000002319581 569273565 /nfs/dbraw/zinc/27/35/65/569273565.db2.gz MCEQDWWRRZZBHW-UHFFFAOYSA-N 0 0 448.566 1.977 50 0 IDAARN COC(=O)c1c(N)n(CCc2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc21 ZINC000002327425 569274454 /nfs/dbraw/zinc/27/44/54/569274454.db2.gz HWEBVUWASFIABV-UHFFFAOYSA-N 0 0 425.470 1.843 50 0 IDAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2cc3ccc(OC)cc3n(C)c2=O)C1=O ZINC000253623646 569284452 /nfs/dbraw/zinc/28/44/52/569284452.db2.gz CYKCKLIQBBSMDT-GFCCVEGCSA-N 0 0 427.413 1.147 50 0 biogenic IDAARN COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623857 569284568 /nfs/dbraw/zinc/28/45/68/569284568.db2.gz RENMZYQKRWKRLP-ZDUSSCGKSA-N 0 0 442.424 1.835 50 0 biogenic IDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3ccccc3N(C)C2=O)C(C(=O)OC)=C(N)O1 ZINC000002367451 569288486 /nfs/dbraw/zinc/28/84/86/569288486.db2.gz HSSYOWQVFAJYFP-JOCHJYFZSA-N 0 0 444.440 1.045 50 0 IDAARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000253405883 569288991 /nfs/dbraw/zinc/28/89/91/569288991.db2.gz INSQRGXVHOWCFX-SJORKVTESA-N 0 0 425.441 1.856 50 0 IDAARN COc1ccc(CCN2C[C@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)CC2=O)cc1OC ZINC000009662070 569297572 /nfs/dbraw/zinc/29/75/72/569297572.db2.gz JZIQJNXXBFXUFA-OAHLLOKOSA-N 0 0 449.504 1.262 50 0 IDAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)NCCc1ccco1 ZINC000225418243 569299306 /nfs/dbraw/zinc/29/93/06/569299306.db2.gz WFWNXNCXCDXIDE-WWMYMODYSA-N 0 0 426.517 1.954 50 0 biogenic IDAARN O=C(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3)N1CCOCC1 ZINC000002445959 569304342 /nfs/dbraw/zinc/30/43/42/569304342.db2.gz BPXZNKWJLKDWQC-UHFFFAOYSA-N 0 0 429.531 1.720 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1 ZINC000013063549 569308761 /nfs/dbraw/zinc/30/87/61/569308761.db2.gz WZHTWTLEZHFJTL-DYESRHJHSA-N 0 0 434.562 1.760 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(S(N)(=O)=O)c2)ccc1C ZINC000013072701 569309128 /nfs/dbraw/zinc/30/91/28/569309128.db2.gz JSLDTUZIEAXYQY-UHFFFAOYSA-N 0 0 425.532 1.925 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCSCc2ccco2)cc1 ZINC000013149942 569312243 /nfs/dbraw/zinc/31/22/43/569312243.db2.gz LSAXYGOSUWXWPJ-CYBMUJFWSA-N 0 0 425.532 1.954 50 0 IDAARN COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000013371352 569314882 /nfs/dbraw/zinc/31/48/82/569314882.db2.gz MRQOCDSEPNTSLD-PXNSSMCTSA-N 0 0 439.555 1.741 50 0 IDAARN COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2F)cc1 ZINC000013371696 569315082 /nfs/dbraw/zinc/31/50/82/569315082.db2.gz QPSXNQDKXAWIBL-OALUTQOASA-N 0 0 427.519 1.606 50 0 IDAARN CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2cccs2)cc1 ZINC000013372055 569315100 /nfs/dbraw/zinc/31/51/00/569315100.db2.gz VQCCTYOHTTXBLZ-ROUUACIJSA-N 0 0 429.585 1.918 50 0 IDAARN CCC1(CC)NC(=O)N(CC(=O)NCc2ccccc2OCCN2CCOCC2)C1=O ZINC000078714270 569318401 /nfs/dbraw/zinc/31/84/01/569318401.db2.gz YOKCZSSVVPXBNG-UHFFFAOYSA-N 0 0 432.521 1.124 50 0 IDAARN CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000078874764 569319614 /nfs/dbraw/zinc/31/96/14/569319614.db2.gz AZXRPQWAEXRIMV-IRXDYDNUSA-N 0 0 445.564 1.800 50 0 IDAARN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1NC(=O)N[C@H]1CCC[C@H]1C(N)=O ZINC000078947533 569320466 /nfs/dbraw/zinc/32/04/66/569320466.db2.gz WAPZNVFUDKASKT-JJXSEGSLSA-N 0 0 430.509 1.546 50 0 IDAARN CNC(=O)COC1CN(C(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)C1 ZINC000079014469 569321971 /nfs/dbraw/zinc/32/19/71/569321971.db2.gz ZBBMHZULBSZTQS-UHFFFAOYSA-N 0 0 432.498 1.658 50 0 IDAARN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCn2c3ccccc3[nH]c2=O)C(C)C)c1 ZINC000079022707 569322465 /nfs/dbraw/zinc/32/24/65/569322465.db2.gz BDMVSAWNYNRIGO-HXUWFJFHSA-N 0 0 440.500 1.918 50 0 IDAARN CCOCCOCc1cccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000079073106 569324509 /nfs/dbraw/zinc/32/45/09/569324509.db2.gz ZGCZGXRADBXLLW-UHFFFAOYSA-N 0 0 434.537 1.248 50 0 IDAARN CCOC(=O)N(C)c1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000079073137 569324584 /nfs/dbraw/zinc/32/45/84/569324584.db2.gz XYWGPSQQIKKPIL-UHFFFAOYSA-N 0 0 433.509 1.288 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3[C@@H]2CO)C1=O ZINC000079074989 569324692 /nfs/dbraw/zinc/32/46/92/569324692.db2.gz UYOUVTFSCXSZLS-RDPSFJRHSA-N 0 0 436.512 1.553 50 0 IDAARN Cc1c(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)nnn1-c1cccc2cnccc21 ZINC000079094308 569325247 /nfs/dbraw/zinc/32/52/47/569325247.db2.gz KGORVHKPFUEUHH-DOTOQJQBSA-N 0 0 428.518 1.572 50 0 IDAARN Cc1c(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)nnn1-c1cccc2cnccc21 ZINC000079094301 569325265 /nfs/dbraw/zinc/32/52/65/569325265.db2.gz KGORVHKPFUEUHH-RDJZCZTQSA-N 0 0 428.518 1.572 50 0 IDAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCSC[C@@H]2S(C)(=O)=O)C1 ZINC000079093173 569325293 /nfs/dbraw/zinc/32/52/93/569325293.db2.gz JYLUCTRBZZCZHR-HOTGVXAUSA-N 0 0 425.532 1.131 50 0 IDAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)c12)OC(C)(C)CC3 ZINC000079190586 569327951 /nfs/dbraw/zinc/32/79/51/569327951.db2.gz VMSZULJGGDPUEA-ZDUSSCGKSA-N 0 0 435.498 1.887 50 0 biogenic IDAARN Cc1cc(C)nc(Nc2cccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2)n1 ZINC000079483469 569330995 /nfs/dbraw/zinc/33/09/95/569330995.db2.gz FWMKZRRZXLDGQO-LJQANCHMSA-N 0 0 429.546 1.782 50 0 IDAARN COc1ccc2cnn(CC(=O)N3CCN(CCc4ccncc4)CC3)c(=O)c2c1OC ZINC000079490943 569331273 /nfs/dbraw/zinc/33/12/73/569331273.db2.gz XBSVRPPHAAWJEZ-UHFFFAOYSA-N 0 0 437.500 1.196 50 0 IDAARN CC(C)CCn1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O ZINC000079502111 569331504 /nfs/dbraw/zinc/33/15/04/569331504.db2.gz FGNRURBJYPDWTC-GOSISDBHSA-N 0 0 445.585 1.993 50 0 IDAARN O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019912221 569331934 /nfs/dbraw/zinc/33/19/34/569331934.db2.gz DWBGNHXFMOZCJH-HXUWFJFHSA-N 0 0 434.583 1.911 50 0 IDAARN Cc1ccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCN2CCOCC2)c4=O)cc1 ZINC000020051836 569332838 /nfs/dbraw/zinc/33/28/38/569332838.db2.gz JKIQBDVFTIQIPF-KRWDZBQOSA-N 0 0 438.532 1.325 50 0 IDAARN O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)NCc1ccccn1 ZINC000020107505 569334263 /nfs/dbraw/zinc/33/42/63/569334263.db2.gz HTXRTCYLPQOLDZ-UHFFFAOYSA-N 0 0 447.630 1.858 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NC[C@@](O)(c3ccoc3)c3ccco3)cc3c2N1CC3 ZINC000390827081 569353853 /nfs/dbraw/zinc/35/38/53/569353853.db2.gz SYYLRLWOYCXNLC-OAQYLSRUSA-N 0 0 428.466 1.922 50 0 IDAARN CCN1CCN(CCNC(=O)C[S@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000020241525 569358024 /nfs/dbraw/zinc/35/80/24/569358024.db2.gz FJZQRWARZRNFFH-PMERELPUSA-N 0 0 432.590 1.961 50 0 IDAARN CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000020284821 569358938 /nfs/dbraw/zinc/35/89/38/569358938.db2.gz GBABVVLRNQGHCJ-QGZVFWFLSA-N 0 0 431.514 1.937 50 0 IDAARN CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1ccccn1 ZINC000020284253 569358976 /nfs/dbraw/zinc/35/89/76/569358976.db2.gz MDJSSXAMYQTOJY-INIZCTEOSA-N 0 0 432.502 1.536 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000020287419 569359142 /nfs/dbraw/zinc/35/91/42/569359142.db2.gz LAQQNVQJWOGESB-OXQOHEQNSA-N 0 0 431.558 1.994 50 0 IDAARN C[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000095351759 569362143 /nfs/dbraw/zinc/36/21/43/569362143.db2.gz WVSPWMWPUAORGY-SRVKXCTJSA-N 0 0 445.497 1.157 50 0 IDAARN COC(=O)c1cnc(N[C@H](C)c2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1 ZINC000095356484 569362176 /nfs/dbraw/zinc/36/21/76/569362176.db2.gz DFSXZWTXQNXPGR-CYBMUJFWSA-N 0 0 449.485 1.791 50 0 IDAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nccs1 ZINC000080357789 569363355 /nfs/dbraw/zinc/36/33/55/569363355.db2.gz CTGMIVDFHSZKNX-CHWSQXEVSA-N 0 0 440.522 1.826 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)CCn3c4ccccc4oc3=O)cc2)CC1 ZINC000095392695 569363449 /nfs/dbraw/zinc/36/34/49/569363449.db2.gz OIWUMQQGSUSXKJ-UHFFFAOYSA-N 0 0 444.513 1.559 50 0 IDAARN COc1cc(C(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc(OC)c1OCC(N)=O ZINC000095402000 569363972 /nfs/dbraw/zinc/36/39/72/569363972.db2.gz RIXKHGAAIYWDJV-UHFFFAOYSA-N 0 0 430.505 1.934 50 0 IDAARN Cc1cc(CN2CCN(CC3(CN4CCN(Cc5cc(C)no5)CC4)COC3)CC2)on1 ZINC000095401400 569364031 /nfs/dbraw/zinc/36/40/31/569364031.db2.gz WZLSVODCFPHTAW-UHFFFAOYSA-N 0 0 444.580 1.231 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000095415668 569365266 /nfs/dbraw/zinc/36/52/66/569365266.db2.gz POHXRZKVUVEXIM-MJGOQNOKSA-N 0 0 437.562 1.474 50 0 IDAARN COc1ccsc1S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000095415193 569365349 /nfs/dbraw/zinc/36/53/49/569365349.db2.gz PXWURMKRIAYVON-OAHLLOKOSA-N 0 0 429.951 1.943 50 0 IDAARN CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)cc1 ZINC000095410457 569365355 /nfs/dbraw/zinc/36/53/55/569365355.db2.gz RUKKSCCNIQRAOF-HNNXBMFYSA-N 0 0 433.534 1.559 50 0 IDAARN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 ZINC000095436364 569366628 /nfs/dbraw/zinc/36/66/28/569366628.db2.gz WJNBBVVJZNFXBU-IRXDYDNUSA-N 0 0 433.553 1.866 50 0 IDAARN Cc1nn(C)cc1-c1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C[C@@H]1CCCO1 ZINC000095443931 569366857 /nfs/dbraw/zinc/36/68/57/569366857.db2.gz IOUUEPBVQGPEOJ-INIZCTEOSA-N 0 0 445.545 1.945 50 0 IDAARN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2c(C)nc3n2CCCC3)CC1 ZINC000095456599 569368824 /nfs/dbraw/zinc/36/88/24/569368824.db2.gz FXHCCQJCLOLXHM-GOSISDBHSA-N 0 0 437.610 1.376 50 0 IDAARN C[C@H]1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000095459716 569369497 /nfs/dbraw/zinc/36/94/97/569369497.db2.gz LVIHGPVJYXIAIX-HOTGVXAUSA-N 0 0 439.503 1.811 50 0 IDAARN COC(=O)CCN1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[C@H](C)C1 ZINC000095460657 569369711 /nfs/dbraw/zinc/36/97/11/569369711.db2.gz JCRCERJCYCAREO-OAHLLOKOSA-N 0 0 446.573 1.823 50 0 IDAARN CSCC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000095471286 569371842 /nfs/dbraw/zinc/37/18/42/569371842.db2.gz IZAUTOOZXDSUAR-CHWSQXEVSA-N 0 0 444.604 1.322 50 0 IDAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1cccnc1 ZINC000095471270 569371862 /nfs/dbraw/zinc/37/18/62/569371862.db2.gz RKSQYXICRAPZCN-WBVHZDCISA-N 0 0 448.520 1.443 50 0 IDAARN Cc1cc(=O)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c[nH]1 ZINC000095472930 569372347 /nfs/dbraw/zinc/37/23/47/569372347.db2.gz MDUUMKJFBYCXHJ-UHFFFAOYSA-N 0 0 425.894 1.249 50 0 IDAARN Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000095477164 569373149 /nfs/dbraw/zinc/37/31/49/569373149.db2.gz RUDZTARGTSIHAA-UHFFFAOYSA-N 0 0 446.979 1.894 50 0 IDAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000095941960 569375572 /nfs/dbraw/zinc/37/55/72/569375572.db2.gz YBMIGSWXMLJCKF-UHFFFAOYSA-N 0 0 442.481 1.469 50 0 IDAARN CC(C)(C)OC(=O)NC1CCN(CC(=O)Oc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000095943872 569375712 /nfs/dbraw/zinc/37/57/12/569375712.db2.gz AWAAFGKHYKAGKQ-UHFFFAOYSA-N 0 0 427.523 1.953 50 0 IDAARN O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000095956107 569376808 /nfs/dbraw/zinc/37/68/08/569376808.db2.gz AZBGFSYBFDCPTL-UHFFFAOYSA-N 0 0 438.528 1.894 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cnn(CC(F)(F)F)c1 ZINC000095960236 569377121 /nfs/dbraw/zinc/37/71/21/569377121.db2.gz SYBAUBSWYFEYOX-UHFFFAOYSA-N 0 0 438.453 1.709 50 0 IDAARN COC(=O)c1cc(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)n(-c2ccccc2)n1 ZINC000095987326 569378039 /nfs/dbraw/zinc/37/80/39/569378039.db2.gz WGUDLTNIDWVUKI-UHFFFAOYSA-N 0 0 448.483 1.694 50 0 IDAARN CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000096099681 569381725 /nfs/dbraw/zinc/38/17/25/569381725.db2.gz SRQNGVQXMWNASF-UHFFFAOYSA-N 0 0 428.454 1.019 50 0 IDAARN COc1ccc(-c2nn(CCCC(=O)NCCCN3CCOCC3)c(=O)cc2OC)cc1 ZINC000096100933 569381750 /nfs/dbraw/zinc/38/17/50/569381750.db2.gz ZUSYOGODHHBUKQ-UHFFFAOYSA-N 0 0 444.532 1.546 50 0 IDAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C=C2 ZINC000096116554 569383867 /nfs/dbraw/zinc/38/38/67/569383867.db2.gz CWJVWIBGKLEFFA-UHFFFAOYSA-N 0 0 445.497 1.023 50 0 biogenic IDAARN CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CCN(c4ccc(=O)n(C)n4)CC3)nc21 ZINC000096119215 569384682 /nfs/dbraw/zinc/38/46/82/569384682.db2.gz QAVRWUBFDJHHOH-CYBMUJFWSA-N 0 0 431.518 1.685 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000096120434 569384952 /nfs/dbraw/zinc/38/49/52/569384952.db2.gz PRPINUPSZXKLEU-UHFFFAOYSA-N 0 0 431.536 1.347 50 0 IDAARN CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)cc1 ZINC000096124013 569385287 /nfs/dbraw/zinc/38/52/87/569385287.db2.gz UGFXTBHUUXULMN-AWEZNQCLSA-N 0 0 427.490 1.316 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n1 ZINC000096124082 569385356 /nfs/dbraw/zinc/38/53/56/569385356.db2.gz HGILLWYXYCMGGN-CYBMUJFWSA-N 0 0 442.505 1.475 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCn3cnc4ccccc43)C2=O)cc1 ZINC000096224204 569387360 /nfs/dbraw/zinc/38/73/60/569387360.db2.gz OLCFFXSHJHTFMP-IBGZPJMESA-N 0 0 435.484 1.714 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)cc1 ZINC000096231307 569387497 /nfs/dbraw/zinc/38/74/97/569387497.db2.gz DWAAYRLUYKUZGY-GFCCVEGCSA-N 0 0 431.449 1.019 50 0 IDAARN COc1ccc(OC)c(CNC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCOCC3)c2C)c1 ZINC000096320069 569394048 /nfs/dbraw/zinc/39/40/48/569394048.db2.gz UUOQPEATWHJUBG-UHFFFAOYSA-N 0 0 437.518 1.600 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)c1 ZINC000096321808 569394133 /nfs/dbraw/zinc/39/41/33/569394133.db2.gz WIUWDRFFXPDVDF-UHFFFAOYSA-N 0 0 441.465 1.892 50 0 IDAARN COc1cc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)cc(OC)c1 ZINC000096321807 569394193 /nfs/dbraw/zinc/39/41/93/569394193.db2.gz PTMIPBWFGJOUGN-UHFFFAOYSA-N 0 0 429.454 1.732 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C)cc3)CC2)c1C ZINC000096323303 569395150 /nfs/dbraw/zinc/39/51/50/569395150.db2.gz WWUSGFQEEIRHAB-UHFFFAOYSA-N 0 0 447.561 1.091 50 0 IDAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccccc2)CC1 ZINC000096323360 569395214 /nfs/dbraw/zinc/39/52/14/569395214.db2.gz HDDGNLUZUGQORD-UHFFFAOYSA-N 0 0 447.561 1.344 50 0 IDAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)NC3CCCC3)ccc21)N1CCOCC1 ZINC000096324098 569395693 /nfs/dbraw/zinc/39/56/93/569395693.db2.gz XLGXJBAWNANNSU-UHFFFAOYSA-N 0 0 439.559 1.533 50 0 IDAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCOCC1 ZINC000096324107 569395707 /nfs/dbraw/zinc/39/57/07/569395707.db2.gz DKIUKYFACZAMKL-UHFFFAOYSA-N 0 0 425.532 1.096 50 0 IDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000096324172 569395735 /nfs/dbraw/zinc/39/57/35/569395735.db2.gz FPGJKKUVDOUYGZ-UHFFFAOYSA-N 0 0 432.481 1.222 50 0 IDAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000096324829 569396137 /nfs/dbraw/zinc/39/61/37/569396137.db2.gz CVVXWAANDFIPLR-SFHVURJKSA-N 0 0 444.495 1.809 50 0 IDAARN COc1cc2nc(C)n(CC(=O)NCCn3cnc4ccccc4c3=O)c(=O)c2cc1OC ZINC000096345373 569397127 /nfs/dbraw/zinc/39/71/27/569397127.db2.gz KPVAEADGULROSU-UHFFFAOYSA-N 0 0 449.467 1.248 50 0 IDAARN CN1CCc2cc([C@H](O)CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)ccc21 ZINC000096363014 569397692 /nfs/dbraw/zinc/39/76/92/569397692.db2.gz PHYMCAJYTFUKCL-OAQYLSRUSA-N 0 0 436.512 1.984 50 0 IDAARN Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC(S(=O)(=O)CC(C)C)CC2)c1 ZINC000096374424 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/nfs/dbraw/zinc/45/11/48/569451148.db2.gz NXBLOSZEQCLHFN-UHFFFAOYSA-N 0 0 434.503 1.245 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc4C3)c2)CC1 ZINC000003452537 569451723 /nfs/dbraw/zinc/45/17/23/569451723.db2.gz LLRCERPKGWJULB-UHFFFAOYSA-N 0 0 427.526 1.738 50 0 IDAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)c2C)no1 ZINC000003502456 569452857 /nfs/dbraw/zinc/45/28/57/569452857.db2.gz BPHXSSNOKLCLQC-UHFFFAOYSA-N 0 0 436.424 1.820 50 0 IDAARN O=C(NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccco1 ZINC000031051713 569452988 /nfs/dbraw/zinc/45/29/88/569452988.db2.gz YRTKIFZZHXQORV-LLVKDONJSA-N 0 0 431.923 1.694 50 0 IDAARN O=C(CN1CCN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1)N1CCCCC1 ZINC000058332392 569453194 /nfs/dbraw/zinc/45/31/94/569453194.db2.gz NHEVFHWIUPVARE-UHFFFAOYSA-N 0 0 448.467 1.145 50 0 IDAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)COC(=O)c1ccc(CO)cc1 ZINC000003523339 569453290 /nfs/dbraw/zinc/45/32/90/569453290.db2.gz RFZJGLPADIWBQK-UHFFFAOYSA-N 0 0 434.470 1.881 50 0 IDAARN CCCCN1C(=O)c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O ZINC000003550405 569453858 /nfs/dbraw/zinc/45/38/58/569453858.db2.gz KUVGUQPTACAFJH-UHFFFAOYSA-N 0 0 429.498 1.703 50 0 IDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000003557168 569453970 /nfs/dbraw/zinc/45/39/70/569453970.db2.gz MCBKOXQWCOVYRJ-UHFFFAOYSA-N 0 0 432.498 1.542 50 0 IDAARN O=C(c1ccccc1Nc1ccccc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000031248090 569455107 /nfs/dbraw/zinc/45/51/07/569455107.db2.gz DDWJAXLBIBPKPZ-UHFFFAOYSA-N 0 0 430.530 1.765 50 0 IDAARN O=C(c1ccccc1I)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000031387940 569456194 /nfs/dbraw/zinc/45/61/94/569456194.db2.gz XBMGNVNRWPPDTQ-UHFFFAOYSA-N 0 0 449.314 1.390 50 0 IDAARN CCCNC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2O1 ZINC000031720301 569457103 /nfs/dbraw/zinc/45/71/03/569457103.db2.gz HWGUPCROHDAJBB-LJQANCHMSA-N 0 0 446.529 1.733 50 0 IDAARN O=S(=O)(NCCc1ccccc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772810 569457228 /nfs/dbraw/zinc/45/72/28/569457228.db2.gz SBSJKOWVVUZRMR-GOSISDBHSA-N 0 0 443.568 1.168 50 0 IDAARN COc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000031772969 569457331 /nfs/dbraw/zinc/45/73/31/569457331.db2.gz KFBPHCKCJLBHRK-QGZVFWFLSA-N 0 0 445.540 1.457 50 0 IDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000031808687 569457604 /nfs/dbraw/zinc/45/76/04/569457604.db2.gz OWIXSENYGDBBLU-WMLDXEAASA-N 0 0 438.843 1.964 50 0 IDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000031808680 569457614 /nfs/dbraw/zinc/45/76/14/569457614.db2.gz OWIXSENYGDBBLU-YOEHRIQHSA-N 0 0 438.843 1.964 50 0 IDAARN CC(C)[C@H](C(=O)N1CCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000004018327 569458170 /nfs/dbraw/zinc/45/81/70/569458170.db2.gz POTTZAFHTAXLOH-HXUWFJFHSA-N 0 0 448.516 1.216 50 0 IDAARN O=C(NCc1cccc(OCC(F)(F)F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000058951937 569458236 /nfs/dbraw/zinc/45/82/36/569458236.db2.gz UVXUFBPQEUGLJB-ZDUSSCGKSA-N 0 0 447.435 1.409 50 0 IDAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H](C(=O)OCC)C3)cc(C3CC3)nc21 ZINC000032059886 569459051 /nfs/dbraw/zinc/45/90/51/569459051.db2.gz BXNRWEDRXXMABQ-CQSZACIVSA-N 0 0 428.489 1.788 50 0 IDAARN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000059118102 569459060 /nfs/dbraw/zinc/45/90/60/569459060.db2.gz CRGXDGUYFHRIEZ-SFHVURJKSA-N 0 0 433.530 1.635 50 0 IDAARN COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)c1 ZINC000032087484 569459481 /nfs/dbraw/zinc/45/94/81/569459481.db2.gz XPYGYRMNQNLDSY-QGZVFWFLSA-N 0 0 433.486 1.222 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000032090893 569459607 /nfs/dbraw/zinc/45/96/07/569459607.db2.gz AENFADSETLIRFP-HNNXBMFYSA-N 0 0 439.468 1.964 50 0 IDAARN Cn1c(=O)[nH]c(=O)c2c1NC(=O)N[C@@H]2c1ccc(OCC(=O)N2CCc3ccccc32)cc1 ZINC000032094798 569459773 /nfs/dbraw/zinc/45/97/73/569459773.db2.gz PCKZIFLBXHSRAI-LJQANCHMSA-N 0 0 447.451 1.266 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)CNC(=O)[C@@H]1CC(=O)N(c3ccccc3)C1)CC2 ZINC000032101549 569460074 /nfs/dbraw/zinc/46/00/74/569460074.db2.gz LCXDEDKVQBESDH-GOSISDBHSA-N 0 0 437.496 1.758 50 0 biogenic IDAARN COc1cc2nc(SCC(N)=O)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC ZINC000004176358 569460619 /nfs/dbraw/zinc/46/06/19/569460619.db2.gz MCIXIDFHXRWRCT-UHFFFAOYSA-N 0 0 441.517 1.928 50 0 IDAARN O=C(Nc1ccc(F)cc1Br)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000059304924 569460840 /nfs/dbraw/zinc/46/08/40/569460840.db2.gz CKGXFBKFTCIBDN-SNVBAGLBSA-N 0 0 432.271 1.692 50 0 IDAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000229703726 569461403 /nfs/dbraw/zinc/46/14/03/569461403.db2.gz VDTPQSMPHAKDCF-BNFUDPRMSA-N 0 0 429.448 1.988 50 0 IDAARN COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000032437576 569461701 /nfs/dbraw/zinc/46/17/01/569461701.db2.gz CCHXHBOWNDCNNN-QGZVFWFLSA-N 0 0 431.470 1.818 50 0 IDAARN Cn1cc(C(=O)N2CCCC2)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1=O ZINC000038492531 569463112 /nfs/dbraw/zinc/46/31/12/569463112.db2.gz FVDUHYSHJRNGAP-AWEZNQCLSA-N 0 0 426.448 1.752 50 0 IDAARN CCN(CC)C(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O ZINC000067225582 569465145 /nfs/dbraw/zinc/46/51/45/569465145.db2.gz KJBHBGQESKIBKG-UHFFFAOYSA-N 0 0 432.550 1.216 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)N[C@H]4CCc5ccccc54)c(=O)c3s2)CC1 ZINC000067225999 569465236 /nfs/dbraw/zinc/46/52/36/569465236.db2.gz KFRNUMLAORXJIA-KRWDZBQOSA-N 0 0 438.557 1.799 50 0 IDAARN COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccccc3F)c2N)cc1OC ZINC000067240312 569465667 /nfs/dbraw/zinc/46/56/67/569465667.db2.gz ONJJBYQOGQZIHP-UHFFFAOYSA-N 0 0 442.451 1.628 50 0 IDAARN Cc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCOCC3)c2=O)cc1Cl ZINC000067245860 569465969 /nfs/dbraw/zinc/46/59/69/569465969.db2.gz UDSYZKQQHHVGAR-UHFFFAOYSA-N 0 0 425.894 1.470 50 0 IDAARN COc1ccc(CCNC(=O)Cn2ccn(-c3ccccc3OC)c(=O)c2=O)cc1OC ZINC000067256236 569466064 /nfs/dbraw/zinc/46/60/64/569466064.db2.gz JKBGUTVTFNHOPC-UHFFFAOYSA-N 0 0 439.468 1.384 50 0 IDAARN COc1ccccc1-n1c(=O)nc2nc(N3CCN(c4ncccn4)CC3)[nH]cc-2c1=O ZINC000067264321 569466755 /nfs/dbraw/zinc/46/67/55/569466755.db2.gz ZPMOUOBXAZGJCD-UHFFFAOYSA-N 0 0 432.444 1.007 50 0 IDAARN Cc1ccc(-n2c(=O)nc3nc(N4CCN(c5ncccn5)CC4)[nH]cc-3c2=O)c(C)c1 ZINC000067283393 569466835 /nfs/dbraw/zinc/46/68/35/569466835.db2.gz RQQBEJPCQAUZOC-UHFFFAOYSA-N 0 0 430.472 1.615 50 0 IDAARN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287450 569467251 /nfs/dbraw/zinc/46/72/51/569467251.db2.gz XJOJGAPXEYGXTD-LJQANCHMSA-N 0 0 431.489 1.705 50 0 IDAARN COC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067287726 569467263 /nfs/dbraw/zinc/46/72/63/569467263.db2.gz QAZOFRQCFGJOJS-IBGZPJMESA-N 0 0 447.488 1.324 50 0 IDAARN COCc1cc(=O)n(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c(N2CCOCC2)n1 ZINC000067319477 569468526 /nfs/dbraw/zinc/46/85/26/569468526.db2.gz SDXBXXYYCWWEFJ-OAHLLOKOSA-N 0 0 446.504 1.121 50 0 IDAARN CCOC(=O)CNC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21 ZINC000067318739 569468545 /nfs/dbraw/zinc/46/85/45/569468545.db2.gz XTQHJVFWRMYRTL-UHFFFAOYSA-N 0 0 433.424 1.793 50 0 IDAARN COc1ccc(CCNC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1OC ZINC000067320206 569468618 /nfs/dbraw/zinc/46/86/18/569468618.db2.gz BHOOGHUQBXAYAC-UHFFFAOYSA-N 0 0 441.459 1.823 50 0 IDAARN COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)CN(C)S(C)(=O)=O)nc21 ZINC000038840398 569469255 /nfs/dbraw/zinc/46/92/55/569469255.db2.gz SDKFASFLABCYGZ-GFCCVEGCSA-N 0 0 443.547 1.717 50 0 IDAARN CS(=O)(=O)c1cccc2sc(N(CCN3CCOCC3)C(=O)c3cnccn3)nc21 ZINC000038845941 569469283 /nfs/dbraw/zinc/46/92/83/569469283.db2.gz IOCKBLGTTCVQRV-UHFFFAOYSA-N 0 0 447.542 1.469 50 0 IDAARN CCCN1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)CC1 ZINC000008661176 569469786 /nfs/dbraw/zinc/46/97/86/569469786.db2.gz GHUNJKFSCFEWTL-UHFFFAOYSA-N 0 0 435.546 1.930 50 0 IDAARN CC(C)n1nnnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008707218 569470533 /nfs/dbraw/zinc/47/05/33/569470533.db2.gz RKIGTYMSISHHJK-ZDUSSCGKSA-N 0 0 440.551 1.394 50 0 IDAARN CC1=NN(CCCO)c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2[C@@H]1C ZINC000008706132 569470511 /nfs/dbraw/zinc/47/05/11/569470511.db2.gz OXUWELZOWCRDON-GFCCVEGCSA-N 0 0 448.886 1.877 50 0 IDAARN CCn1nnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 ZINC000008708119 569470650 /nfs/dbraw/zinc/47/06/50/569470650.db2.gz KGBSKXRCTDZKHX-UHFFFAOYSA-N 0 0 429.502 1.402 50 0 IDAARN Cc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 ZINC000008708878 569470710 /nfs/dbraw/zinc/47/07/10/569470710.db2.gz IJUBHULKQHAPBC-UHFFFAOYSA-N 0 0 428.452 1.599 50 0 IDAARN C[C@@H]1Sc2ccc(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2NC1=O ZINC000008713601 569471059 /nfs/dbraw/zinc/47/10/59/569471059.db2.gz CWDIOAURFUXFGI-JTQLQIEISA-N 0 0 435.483 1.562 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCCSc1ccccc1)C2=O ZINC000008718945 569471403 /nfs/dbraw/zinc/47/14/03/569471403.db2.gz VDBXWCGFFIXROA-UHFFFAOYSA-N 0 0 433.530 1.939 50 0 IDAARN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NC(=O)NCc1ccccc1 ZINC000008720502 569471575 /nfs/dbraw/zinc/47/15/75/569471575.db2.gz KXRBFWARLQTMRK-UHFFFAOYSA-N 0 0 434.543 1.984 50 0 IDAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)CNC(=O)COc1ccccc1 ZINC000008724896 569472084 /nfs/dbraw/zinc/47/20/84/569472084.db2.gz IBRUPKVNOMKLSE-MRXNPFEDSA-N 0 0 438.484 1.404 50 0 IDAARN CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2cnc3cc(C)c(C)cc32)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000008740370 569472814 /nfs/dbraw/zinc/47/28/14/569472814.db2.gz OKTXAXMQJTYAFD-YMQHIKHWSA-N 0 0 434.445 1.338 50 0 biogenic IDAARN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000008752529 569473593 /nfs/dbraw/zinc/47/35/93/569473593.db2.gz OOBNYSRSJNVAHL-KRWDZBQOSA-N 0 0 435.546 1.221 50 0 IDAARN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/CCO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000008762469 569474377 /nfs/dbraw/zinc/47/43/77/569474377.db2.gz ADHLLVLYTWRLEA-GUYUWHKDSA-N 0 0 447.572 1.762 50 0 biogenic IDAARN CCOc1ccc(N(CC(=O)Nc2cc(C)[nH]n2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000008767682 569474952 /nfs/dbraw/zinc/47/49/52/569474952.db2.gz GTXBQMTZOXPQGX-CVEARBPZSA-N 0 0 449.558 1.830 50 0 IDAARN CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)C1=O ZINC000008769471 569475046 /nfs/dbraw/zinc/47/50/46/569475046.db2.gz JLVFTTRJFKGRSQ-ZDUSSCGKSA-N 0 0 434.518 1.079 50 0 IDAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cccs3)s2)cc1 ZINC000008770656 569475185 /nfs/dbraw/zinc/47/51/85/569475185.db2.gz OXDNWXQFXOHCJL-UZYVYHOESA-N 0 0 443.510 1.308 50 0 IDAARN Cc1cc(C)nc(SCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000008778519 569475516 /nfs/dbraw/zinc/47/55/16/569475516.db2.gz BFAKEWBCVXBDIU-UHFFFAOYSA-N 0 0 425.312 1.395 50 0 IDAARN COCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008790363 569476043 /nfs/dbraw/zinc/47/60/43/569476043.db2.gz BOBSNKWYXIJIFZ-FSJXIACGSA-N 0 0 446.507 1.905 50 0 biogenic IDAARN CCn1nc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)c2ccccc2c1=O ZINC000008806281 569476467 /nfs/dbraw/zinc/47/64/67/569476467.db2.gz GKIWLULXJYHPHY-UHFFFAOYSA-N 0 0 425.441 1.907 50 0 IDAARN CCOC(=O)CNC(=O)CSc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 ZINC000008823136 569477119 /nfs/dbraw/zinc/47/71/19/569477119.db2.gz JUPTUUYVARCSKG-UHFFFAOYSA-N 0 0 440.503 1.579 50 0 IDAARN CCCOc1c(Cl)cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OCC ZINC000008824727 569477245 /nfs/dbraw/zinc/47/72/45/569477245.db2.gz TYTIMQSOXGKDPV-ZDUSSCGKSA-N 0 0 433.910 1.988 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccccc2OC)c(=O)c3=O)cc1 ZINC000008849406 569479232 /nfs/dbraw/zinc/47/92/32/569479232.db2.gz CLFVUOHHLYXOFZ-UHFFFAOYSA-N 0 0 437.456 1.603 50 0 IDAARN C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000008853049 569479584 /nfs/dbraw/zinc/47/95/84/569479584.db2.gz HLNVRHRMVBOCHR-RISCZKNCSA-N 0 0 441.893 1.376 50 0 IDAARN Cc1nc(-c2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)cs1 ZINC000008862155 569480099 /nfs/dbraw/zinc/48/00/99/569480099.db2.gz SASBDNRXUGRWJQ-UHFFFAOYSA-N 0 0 430.515 1.244 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)NC(C)C ZINC000008877662 569481244 /nfs/dbraw/zinc/48/12/44/569481244.db2.gz WVNCUCUJMSDSCA-QKKBWIMNSA-N 0 0 431.489 1.344 50 0 biogenic IDAARN CCN(CC)C(=S)SCC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008880401 569481405 /nfs/dbraw/zinc/48/14/05/569481405.db2.gz XPMLUNNBXIHPAX-UHFFFAOYSA-N 0 0 449.602 1.880 50 0 IDAARN NC(=O)NC(=O)COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl ZINC000039612159 569481824 /nfs/dbraw/zinc/48/18/24/569481824.db2.gz YNBMRWSFFYZQOZ-QGZVFWFLSA-N 0 0 442.859 1.901 50 0 IDAARN CC(=O)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000039945496 569482087 /nfs/dbraw/zinc/48/20/87/569482087.db2.gz XDMACMMTPGFUCZ-QGLKVJOYSA-N 0 0 438.429 1.286 50 0 IDAARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000040002583 569482437 /nfs/dbraw/zinc/48/24/37/569482437.db2.gz IERDFJXYBYYPDC-OAHLLOKOSA-N 0 0 437.500 1.772 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000040050307 569484172 /nfs/dbraw/zinc/48/41/72/569484172.db2.gz PVXWSHZOLDJZKN-XDHUDOTRSA-N 0 0 444.495 1.829 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(-c3ccccc3F)nc2n(C)c1=O ZINC000008902162 569484384 /nfs/dbraw/zinc/48/43/84/569484384.db2.gz OESXSLPYMXKDHR-UHFFFAOYSA-N 0 0 443.504 1.984 50 0 IDAARN CS(=O)(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 ZINC000040061914 569484860 /nfs/dbraw/zinc/48/48/60/569484860.db2.gz KTINTQAPRYQVCO-HXUWFJFHSA-N 0 0 429.542 1.568 50 0 IDAARN Cc1cc(C)n2nc(CC(=O)Nc3cc(C(C)(C)C)nn3[C@H]3CCS(=O)(=O)C3)nc2n1 ZINC000040089943 569487347 /nfs/dbraw/zinc/48/73/47/569487347.db2.gz IOURGZHYIFCFNY-AWEZNQCLSA-N 0 0 445.549 1.776 50 0 IDAARN COc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000040090138 569487430 /nfs/dbraw/zinc/48/74/30/569487430.db2.gz WEDPIXMOZGWYAB-INIZCTEOSA-N 0 0 438.550 1.018 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cccs3)CC2)o1 ZINC000040094613 569487504 /nfs/dbraw/zinc/48/75/04/569487504.db2.gz YYONXDTZARMDHA-UHFFFAOYSA-N 0 0 426.516 1.984 50 0 IDAARN Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008931660 569487532 /nfs/dbraw/zinc/48/75/32/569487532.db2.gz RUWMFMYNCUGQEP-UHFFFAOYSA-N 0 0 434.499 1.338 50 0 IDAARN C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000008934143 569487896 /nfs/dbraw/zinc/48/78/96/569487896.db2.gz FZBQMZYVMCIGLY-JTQLQIEISA-N 0 0 426.304 1.972 50 0 IDAARN O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000040110386 569488732 /nfs/dbraw/zinc/48/87/32/569488732.db2.gz SUNCMVAVMMKZHK-UHFFFAOYSA-N 0 0 449.316 1.844 50 0 IDAARN CC(C)(C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000008942870 569488765 /nfs/dbraw/zinc/48/87/65/569488765.db2.gz BLSWHLNVBQDFKP-UHFFFAOYSA-N 0 0 440.547 1.764 50 0 IDAARN C[C@]1(c2cccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c2)NC(=O)NC1=O ZINC000040111099 569488773 /nfs/dbraw/zinc/48/87/73/569488773.db2.gz WZWOCSDWRIPQES-HXUWFJFHSA-N 0 0 428.470 1.316 50 0 IDAARN COCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1ccc(OC)cc1 ZINC000008943880 569488893 /nfs/dbraw/zinc/48/88/93/569488893.db2.gz VKKLCEABLMQZJA-UHFFFAOYSA-N 0 0 430.534 1.974 50 0 IDAARN COc1ccc(C(=O)NCCn2ncc3c2nc(SC)nc3N2CCOCC2)cc1 ZINC000008947140 569489107 /nfs/dbraw/zinc/48/91/07/569489107.db2.gz MDBVGLZFVQGOJF-UHFFFAOYSA-N 0 0 428.518 1.823 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@@H](C)O1 ZINC000040120682 569489529 /nfs/dbraw/zinc/48/95/29/569489529.db2.gz GYTFLQLLKCHAPL-HUUCEWRRSA-N 0 0 440.522 1.199 50 0 IDAARN Cc1ccn2c(=O)cc(CS(=O)(=O)[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc2c1 ZINC000040121915 569489590 /nfs/dbraw/zinc/48/95/90/569489590.db2.gz SNJNVGZBXUCYAU-AWEZNQCLSA-N 0 0 443.481 1.716 50 0 IDAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1S(=O)(=O)N(C)C ZINC000040146975 569492382 /nfs/dbraw/zinc/49/23/82/569492382.db2.gz UTVSNBQMRMJCJT-INIZCTEOSA-N 0 0 446.529 1.831 50 0 IDAARN O=C(CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000040149565 569492534 /nfs/dbraw/zinc/49/25/34/569492534.db2.gz SKDWMJANEMIUMJ-CQSZACIVSA-N 0 0 425.445 1.809 50 0 IDAARN CNC(=O)c1ccc(S(=O)(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000040149889 569492641 /nfs/dbraw/zinc/49/26/41/569492641.db2.gz OSQJQKGAUZFQMM-UHFFFAOYSA-N 0 0 433.530 1.400 50 0 IDAARN Cc1ccc(NC(=O)N[C@H]2CCCCNC2=O)cc1NC(=O)N[C@H]1CCCCNC1=O ZINC000040149912 569492667 /nfs/dbraw/zinc/49/26/67/569492667.db2.gz CISJWEXZCQCCSA-HOTGVXAUSA-N 0 0 430.509 1.575 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000008971170 569492712 /nfs/dbraw/zinc/49/27/12/569492712.db2.gz JAQOPFGIABGLHP-IIMJZQEZSA-N 0 0 446.523 1.433 50 0 IDAARN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000040150764 569493244 /nfs/dbraw/zinc/49/32/44/569493244.db2.gz LXIWESBHSZRMGY-QGZVFWFLSA-N 0 0 431.580 1.778 50 0 IDAARN CONS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000040152564 569493496 /nfs/dbraw/zinc/49/34/96/569493496.db2.gz FDUJHUXFHNVDRR-UHFFFAOYSA-N 0 0 433.486 1.213 50 0 IDAARN COC(=O)c1cnc(N2CCO[C@@H](c3ccccc3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040153536 569493625 /nfs/dbraw/zinc/49/36/25/569493625.db2.gz FVTJLEKSCMRQEU-GOSISDBHSA-N 0 0 447.513 1.467 50 0 IDAARN C[C@@H]1CN(Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@H](C)O1 ZINC000040154626 569493816 /nfs/dbraw/zinc/49/38/16/569493816.db2.gz ZNJDLEOFQANBAQ-GASCZTMLSA-N 0 0 437.587 1.977 50 0 IDAARN Cc1occc1C(=O)Nc1nc(CC(=O)NCCCn2nc3ccccn3c2=O)cs1 ZINC000040156045 569494026 /nfs/dbraw/zinc/49/40/26/569494026.db2.gz ZNTMIVLSSYWDGM-UHFFFAOYSA-N 0 0 440.485 1.855 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000040160995 569495162 /nfs/dbraw/zinc/49/51/62/569495162.db2.gz DIWOLUOJCYXUNO-CYBMUJFWSA-N 0 0 437.493 1.568 50 0 IDAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000040162044 569495193 /nfs/dbraw/zinc/49/51/93/569495193.db2.gz JFLXQAMVFHUYRZ-SJLPKXTDSA-N 0 0 426.517 1.967 50 0 IDAARN CCOc1c(Cl)cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000040161876 569495195 /nfs/dbraw/zinc/49/51/95/569495195.db2.gz SDZSHERGVRNAJE-UHFFFAOYSA-N 0 0 436.852 1.351 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000008991202 569495237 /nfs/dbraw/zinc/49/52/37/569495237.db2.gz DIYWBPPVNFODCV-HNNXBMFYSA-N 0 0 445.497 1.571 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)CCSc2nc(Cl)nc3[nH]cnc32)cc1 ZINC000008992705 569495362 /nfs/dbraw/zinc/49/53/62/569495362.db2.gz BXNRERKJVXYYRE-UHFFFAOYSA-N 0 0 426.911 1.452 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1 ZINC000009001384 569495985 /nfs/dbraw/zinc/49/59/85/569495985.db2.gz GPNIZNFESWLKPM-UHFFFAOYSA-N 0 0 445.435 1.427 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O)c1ccc2c(c1)OCCO2 ZINC000009001504 569495999 /nfs/dbraw/zinc/49/59/99/569495999.db2.gz DOLGQSJSZHSZAF-UHFFFAOYSA-N 0 0 430.420 1.656 50 0 IDAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)OCCO3)cc1 ZINC000244998722 569496971 /nfs/dbraw/zinc/49/69/71/569496971.db2.gz KQXGFDCPIQUGFJ-INIZCTEOSA-N 0 0 432.454 1.123 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@H](C(=O)OC)[C@H]3C2=O)cc1 ZINC000245039123 569497060 /nfs/dbraw/zinc/49/70/60/569497060.db2.gz OGHTWSBACFWVHF-NTZNESFSSA-N 0 0 448.478 1.534 50 0 IDAARN CC(C)[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O ZINC000040268366 569497534 /nfs/dbraw/zinc/49/75/34/569497534.db2.gz SBQFBHKQIIJHNQ-HXUWFJFHSA-N 0 0 433.468 1.874 50 0 IDAARN COc1ccccc1-c1ccc(=O)n(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000040287152 569498235 /nfs/dbraw/zinc/49/82/35/569498235.db2.gz DXPIBZRNIUARGY-MRXNPFEDSA-N 0 0 433.530 1.591 50 0 IDAARN C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CCCCCC1 ZINC000009050196 569498627 /nfs/dbraw/zinc/49/86/27/569498627.db2.gz WQHKAAHATGKHJT-UGSOOPFHSA-N 0 0 446.953 1.750 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)C2=O)cc1 ZINC000009051598 569498729 /nfs/dbraw/zinc/49/87/29/569498729.db2.gz BMWZMXGNWDNLAQ-OAQYLSRUSA-N 0 0 442.497 1.750 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N(C)Cc2ccccc2)[C@H](C)O)cc1 ZINC000009052071 569498733 /nfs/dbraw/zinc/49/87/33/569498733.db2.gz FCUGJRISIZQPDB-JXFKEZNVSA-N 0 0 434.514 1.225 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)C2)cc1 ZINC000009059863 569499436 /nfs/dbraw/zinc/49/94/36/569499436.db2.gz QSFBACJBHIVNRU-HNNXBMFYSA-N 0 0 441.513 1.983 50 0 IDAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccncc1 ZINC000009061103 569499518 /nfs/dbraw/zinc/49/95/18/569499518.db2.gz DXYQTHMBFDPHGN-LSDHHAIUSA-N 0 0 434.493 1.765 50 0 IDAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1cccnc1 ZINC000009061117 569499636 /nfs/dbraw/zinc/49/96/36/569499636.db2.gz WCLXDMXPPXLNJI-FUHWJXTLSA-N 0 0 430.530 1.303 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NC[C@H]4CCCO4)C3)cc2C[C@H]1C ZINC000245245320 569501144 /nfs/dbraw/zinc/50/11/44/569501144.db2.gz FENVLABHBNOTAC-HHXXYDBFSA-N 0 0 449.573 1.680 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)NCC(C)C ZINC000009093026 569501227 /nfs/dbraw/zinc/50/12/27/569501227.db2.gz DTMUPRTUEVQXOM-UHFFFAOYSA-N 0 0 440.591 1.941 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000009092768 569501250 /nfs/dbraw/zinc/50/12/50/569501250.db2.gz OBBHENCHPIJDAW-FQEVSTJZSA-N 0 0 431.470 1.633 50 0 IDAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(C)CC(OC)OC)cc21 ZINC000040450371 569506294 /nfs/dbraw/zinc/50/62/94/569506294.db2.gz HCJVWSVIZGIYQE-UHFFFAOYSA-N 0 0 435.340 1.988 50 0 IDAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000009111975 569502374 /nfs/dbraw/zinc/50/23/74/569502374.db2.gz YXKDMTVGNAXVIP-JXFKEZNVSA-N 0 0 437.493 1.161 50 0 IDAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000009113329 569502476 /nfs/dbraw/zinc/50/24/76/569502476.db2.gz HSCWTEDIUNSJOJ-GFCCVEGCSA-N 0 0 435.329 1.478 50 0 IDAARN CS(=O)(=O)c1ccc2nnn(OCC(=O)NCc3ccc(Cl)cc3Cl)c2c1 ZINC000009120147 569503781 /nfs/dbraw/zinc/50/37/81/569503781.db2.gz HVQFRWPXBAQKBP-UHFFFAOYSA-N 0 0 429.285 1.887 50 0 IDAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000009126265 569504888 /nfs/dbraw/zinc/50/48/88/569504888.db2.gz BRIHFCQFHGRFMD-UHFFFAOYSA-N 0 0 425.463 1.354 50 0 IDAARN O=C(COC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000009126616 569505005 /nfs/dbraw/zinc/50/50/05/569505005.db2.gz QMJNSJHGQIJMPC-INIZCTEOSA-N 0 0 431.445 1.921 50 0 IDAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(F)c(F)c2)c3=O)c1 ZINC000040478171 569506751 /nfs/dbraw/zinc/50/67/51/569506751.db2.gz ROVLKLFHLMLMSW-UHFFFAOYSA-N 0 0 426.383 1.962 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)C2)cc1 ZINC000009134311 569507023 /nfs/dbraw/zinc/50/70/23/569507023.db2.gz KHJORIAWKDCXIB-HOTGVXAUSA-N 0 0 437.562 1.659 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)[C@H](C)CC(=O)NCc1ccc3c(c1)OCO3)OCC(=O)N2 ZINC000009151751 569507575 /nfs/dbraw/zinc/50/75/75/569507575.db2.gz NBOQOTSPXPIVRF-CYBMUJFWSA-N 0 0 446.481 1.923 50 0 IDAARN Cn1cnc2c1c1cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc1oc2=O ZINC000009153053 569508031 /nfs/dbraw/zinc/50/80/31/569508031.db2.gz NZQSDMYSPBTVBI-UHFFFAOYSA-N 0 0 442.453 1.419 50 0 IDAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1 ZINC000009166694 569508939 /nfs/dbraw/zinc/50/89/39/569508939.db2.gz BIBGUABFIANBRR-VIFPVBQESA-N 0 0 435.437 1.303 50 0 IDAARN C[C@]1(CSc2ccccc2C(=O)NC[C@H]2COc3ccccc3O2)NC(=O)NC1=O ZINC000009167222 569509047 /nfs/dbraw/zinc/50/90/47/569509047.db2.gz FRBIYJMSRHXZGD-YEJXKQKISA-N 0 0 427.482 1.947 50 0 IDAARN CCOc1ccccc1-n1nnnc1SCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000009173339 569509626 /nfs/dbraw/zinc/50/96/26/569509626.db2.gz RVSKXEPZVIHFGP-CYBMUJFWSA-N 0 0 425.536 1.189 50 0 IDAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(-n2cnnn2)c1 ZINC000009186381 569510166 /nfs/dbraw/zinc/51/01/66/569510166.db2.gz UAIGRGJVONWANU-UHFFFAOYSA-N 0 0 442.501 1.255 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@]12c1ccccc1N(C)C2=O ZINC000009189933 569510531 /nfs/dbraw/zinc/51/05/31/569510531.db2.gz PUOWCWVVJSTFJV-XMMPIXPASA-N 0 0 447.447 1.796 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(N2CCCC2)cc1 ZINC000009207867 569511436 /nfs/dbraw/zinc/51/14/36/569511436.db2.gz GVDQTQXYIMVXBD-UHFFFAOYSA-N 0 0 430.530 1.872 50 0 IDAARN NC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000009217180 569512252 /nfs/dbraw/zinc/51/22/52/569512252.db2.gz AEGNTOBYCLEDSM-LJQANCHMSA-N 0 0 433.574 1.690 50 0 IDAARN CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 ZINC000009218371 569512360 /nfs/dbraw/zinc/51/23/60/569512360.db2.gz SPASYDSRAQJQDN-JXFKEZNVSA-N 0 0 441.557 1.884 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O ZINC000009222402 569512733 /nfs/dbraw/zinc/51/27/33/569512733.db2.gz NCBIYWLIDBYAGQ-HXUWFJFHSA-N 0 0 426.454 1.885 50 0 IDAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O ZINC000009223134 569512879 /nfs/dbraw/zinc/51/28/79/569512879.db2.gz QQTFSHZXAVRUII-UUOWRZLLSA-N 0 0 435.480 1.899 50 0 IDAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000009223132 569512919 /nfs/dbraw/zinc/51/29/19/569512919.db2.gz QQTFSHZXAVRUII-KOSHJBKYSA-N 0 0 435.480 1.899 50 0 IDAARN O=C(CCNC(=O)c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009223626 569513021 /nfs/dbraw/zinc/51/30/21/569513021.db2.gz CYRZNFQNGRRDPS-UHFFFAOYSA-N 0 0 431.514 1.421 50 0 IDAARN COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(OC)ccc3OC)c2N)c1 ZINC000009226930 569513330 /nfs/dbraw/zinc/51/33/30/569513330.db2.gz GBSFEIMLKFEFRY-UHFFFAOYSA-N 0 0 426.433 1.777 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000009245229 569515292 /nfs/dbraw/zinc/51/52/92/569515292.db2.gz JKUTVYYFNMRTIQ-UHFFFAOYSA-N 0 0 429.502 1.962 50 0 IDAARN O=C(Cn1nnc(COc2ccccc2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009253151 569516161 /nfs/dbraw/zinc/51/61/61/569516161.db2.gz HHZQIBNDUYVRDP-UHFFFAOYSA-N 0 0 442.501 1.675 50 0 IDAARN CN(CC(=O)NCc1ccco1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000009253558 569516220 /nfs/dbraw/zinc/51/62/20/569516220.db2.gz SRBDWHNMFNBFAT-QHCPKHFHSA-N 0 0 438.484 1.310 50 0 IDAARN CN(C(=O)CCCn1c2ccccc2oc1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009254387 569516338 /nfs/dbraw/zinc/51/63/38/569516338.db2.gz MKJRBYWRPIQYBX-UHFFFAOYSA-N 0 0 449.467 1.518 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nnc(Cc3csc(C)n3)o2)c(=O)n(C)c1=O ZINC000009254534 569516368 /nfs/dbraw/zinc/51/63/68/569516368.db2.gz XDPADGDKSAJUJR-UHFFFAOYSA-N 0 0 436.519 1.253 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 ZINC000009256953 569516755 /nfs/dbraw/zinc/51/67/55/569516755.db2.gz NQAOROAOLIFRKN-UHFFFAOYSA-N 0 0 432.531 1.858 50 0 IDAARN Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 ZINC000009256794 569516759 /nfs/dbraw/zinc/51/67/59/569516759.db2.gz ZQBBONWQARRVNI-UHFFFAOYSA-N 0 0 448.545 1.028 50 0 IDAARN CC(C)NS(=O)(=O)c1cn(CC(=O)Nc2ccccc2)cc1S(=O)(=O)NC(C)C ZINC000009266018 569517419 /nfs/dbraw/zinc/51/74/19/569517419.db2.gz UPNIEAPNMLAQHW-UHFFFAOYSA-N 0 0 442.563 1.500 50 0 IDAARN COc1cc(-c2nnc(COC(=O)CN3C(=O)NC(C)(C)C3=O)o2)cc(OC)c1OC ZINC000009283476 569518919 /nfs/dbraw/zinc/51/89/19/569518919.db2.gz MCOPDDZBMIYDSA-UHFFFAOYSA-N 0 0 434.405 1.136 50 0 IDAARN CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000009292950 569520112 /nfs/dbraw/zinc/52/01/12/569520112.db2.gz SROZKBGJUUQCEK-SFHVURJKSA-N 0 0 449.511 1.510 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)C1 ZINC000009304818 569521160 /nfs/dbraw/zinc/52/11/60/569521160.db2.gz OACHBKUNSQYJQN-IBGZPJMESA-N 0 0 429.517 1.457 50 0 IDAARN CC1(C)Cc2c(sc3c2c(=O)n(CCCO)c(=O)n3CC(=O)N2CCCCC2)CO1 ZINC000009304762 569521172 /nfs/dbraw/zinc/52/11/72/569521172.db2.gz LIEYEKMQAXFNPI-UHFFFAOYSA-N 0 0 435.546 1.471 50 0 IDAARN O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009305339 569521250 /nfs/dbraw/zinc/52/12/50/569521250.db2.gz NRPRODNNBZINSK-SFHVURJKSA-N 0 0 442.541 1.926 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccn1 ZINC000009305890 569521260 /nfs/dbraw/zinc/52/12/60/569521260.db2.gz DSFJFRDYCYXQPU-OAHLLOKOSA-N 0 0 434.493 1.766 50 0 IDAARN COc1ccccc1N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1=O ZINC000009315386 569522111 /nfs/dbraw/zinc/52/21/11/569522111.db2.gz IFMVEMSLKMEKIC-OAHLLOKOSA-N 0 0 449.554 1.643 50 0 IDAARN Cc1c(NC(=O)[C@@H](C)Sc2nnnn2C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C ZINC000009316714 569522296 /nfs/dbraw/zinc/52/22/96/569522296.db2.gz PHFPZEGJXCMZIY-ZBFHGGJFSA-N 0 0 443.533 1.769 50 0 IDAARN NC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 ZINC000009317797 569522434 /nfs/dbraw/zinc/52/24/34/569522434.db2.gz 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O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000009344743 569524022 /nfs/dbraw/zinc/52/40/22/569524022.db2.gz HUVUIBHJFJHDNM-UHFFFAOYSA-N 0 0 442.541 1.926 50 0 IDAARN CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 ZINC000009344689 569524023 /nfs/dbraw/zinc/52/40/23/569524023.db2.gz BNSFWPQRJBCJOI-STQMWFEESA-N 0 0 432.365 1.612 50 0 IDAARN Cc1c(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)cccc1-n1cnnn1 ZINC000069950380 569525268 /nfs/dbraw/zinc/52/52/68/569525268.db2.gz FYZOWSDSCJOSPR-UHFFFAOYSA-N 0 0 441.498 1.835 50 0 IDAARN O=C(COc1cccc(-n2cnnn2)c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009366559 569526263 /nfs/dbraw/zinc/52/62/63/569526263.db2.gz AJYQCMGBMJQMGL-GOSISDBHSA-N 0 0 427.486 1.257 50 0 IDAARN CCOC(=O)CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000009366884 569526341 /nfs/dbraw/zinc/52/63/41/569526341.db2.gz RFUCFAVYGCZSTG-UHFFFAOYSA-N 0 0 430.533 1.696 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)N(C)Cc1ccc(C)o1)c(=O)n2Cc1ccccc1 ZINC000009367161 569526404 /nfs/dbraw/zinc/52/64/04/569526404.db2.gz PGCJPONBUJQLJX-UHFFFAOYSA-N 0 0 435.484 1.988 50 0 IDAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C ZINC000009376219 569527333 /nfs/dbraw/zinc/52/73/33/569527333.db2.gz OXILDPLUTGTZJI-UHFFFAOYSA-N 0 0 447.513 1.524 50 0 IDAARN COCCNc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)s1 ZINC000009376427 569527351 /nfs/dbraw/zinc/52/73/51/569527351.db2.gz QMPRTTIEHJQKQQ-UHFFFAOYSA-N 0 0 435.453 1.861 50 0 IDAARN Cc1nnc(NC(=O)CSc2nc(CC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000009382358 569528291 /nfs/dbraw/zinc/52/82/91/569528291.db2.gz ANHUWHAQCPSPCD-UHFFFAOYSA-N 0 0 449.562 1.507 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3ccccc3)nc2n(C)c1=O ZINC000009382365 569528311 /nfs/dbraw/zinc/52/83/11/569528311.db2.gz GIKAEMIHJQFIDK-UHFFFAOYSA-N 0 0 425.514 1.799 50 0 IDAARN COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCN(C(C)=O)C2 ZINC000009383111 569528318 /nfs/dbraw/zinc/52/83/18/569528318.db2.gz YTMMUSUHGMBZJR-UHFFFAOYSA-N 0 0 441.465 1.674 50 0 IDAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000009396903 569529266 /nfs/dbraw/zinc/52/92/66/569529266.db2.gz GSJITRMACYBVKC-OAHLLOKOSA-N 0 0 445.541 1.930 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NC[C@H]4CCCO4)CC3)cc2C[C@@H]1C ZINC000009397020 569529295 /nfs/dbraw/zinc/52/92/95/569529295.db2.gz CHKIUYJMPYYEFU-HNAYVOBHSA-N 0 0 449.573 1.680 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 ZINC000009405582 569529965 /nfs/dbraw/zinc/52/99/65/569529965.db2.gz KTVCGLSEUZPODP-UHFFFAOYSA-N 0 0 432.502 1.725 50 0 IDAARN Cn1c2ccc(S(=O)(=O)CCC(=O)Nc3ccc(Cl)cn3)cc2n(C)c(=O)c1=O ZINC000009407840 569530335 /nfs/dbraw/zinc/53/03/35/569530335.db2.gz FSWAUPLRPSSIBS-UHFFFAOYSA-N 0 0 436.877 1.088 50 0 IDAARN CSc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 ZINC000009407876 569530383 /nfs/dbraw/zinc/53/03/83/569530383.db2.gz KMZYIWXYFUVVHV-UHFFFAOYSA-N 0 0 447.538 1.762 50 0 IDAARN COc1cccc(N(CC(=O)Nc2cc(C)[nH]n2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 ZINC000009408288 569530549 /nfs/dbraw/zinc/53/05/49/569530549.db2.gz ASOAGBMIMVBVQP-CABCVRRESA-N 0 0 435.531 1.440 50 0 IDAARN Cc1ccccc1Cn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000009409847 569531173 /nfs/dbraw/zinc/53/11/73/569531173.db2.gz NHVVGCIRTFGWKN-UHFFFAOYSA-N 0 0 427.530 1.505 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)CC1 ZINC000009416524 569532329 /nfs/dbraw/zinc/53/23/29/569532329.db2.gz DXNLORDZDMNJKF-UHFFFAOYSA-N 0 0 438.488 1.500 50 0 IDAARN O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccncc1 ZINC000009421988 569532814 /nfs/dbraw/zinc/53/28/14/569532814.db2.gz IRKCSRFUGFJSRF-UHFFFAOYSA-N 0 0 436.921 1.891 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3cccnc3)C2)cc1 ZINC000009423109 569532938 /nfs/dbraw/zinc/53/29/38/569532938.db2.gz XKCLYTUTBLHJBY-HNNXBMFYSA-N 0 0 432.502 1.246 50 0 IDAARN CCOC(=O)CNC(=O)CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2 ZINC000009429617 569533723 /nfs/dbraw/zinc/53/37/23/569533723.db2.gz RXPOUJQKAQTUFW-UHFFFAOYSA-N 0 0 433.555 1.906 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCc3ccco3)CC2)cc1 ZINC000009435564 569534837 /nfs/dbraw/zinc/53/48/37/569534837.db2.gz WWBIPRNGRNQLLY-HNNXBMFYSA-N 0 0 449.529 1.510 50 0 IDAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000009439530 569535086 /nfs/dbraw/zinc/53/50/86/569535086.db2.gz FQYRNSDSWNXSNY-UHFFFAOYSA-N 0 0 435.527 1.676 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c2ccccc2oc1=O ZINC000009468144 569538512 /nfs/dbraw/zinc/53/85/12/569538512.db2.gz BIMNPNULOCGCMJ-UHFFFAOYSA-N 0 0 447.469 1.263 50 0 IDAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000009468856 569538656 /nfs/dbraw/zinc/53/86/56/569538656.db2.gz XEYXXQKDDKYGMZ-UHFFFAOYSA-N 0 0 441.531 1.575 50 0 IDAARN Nc1c(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000009481130 569539446 /nfs/dbraw/zinc/53/94/46/569539446.db2.gz KGJGXFIUIQMBOS-UHFFFAOYSA-N 0 0 425.474 1.417 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000009481755 569539484 /nfs/dbraw/zinc/53/94/84/569539484.db2.gz URKLDMAJVJWLND-CYBMUJFWSA-N 0 0 444.473 1.129 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1nccs1 ZINC000009483344 569539532 /nfs/dbraw/zinc/53/95/32/569539532.db2.gz LYDNZRLPIFSTDF-GFCCVEGCSA-N 0 0 442.950 1.952 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCSCC1 ZINC000009485577 569539609 /nfs/dbraw/zinc/53/96/09/569539609.db2.gz SAEGAIMTRJELPD-AWEZNQCLSA-N 0 0 445.994 1.432 50 0 IDAARN CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)Nc1c(F)cccc1F ZINC000009492084 569540496 /nfs/dbraw/zinc/54/04/96/569540496.db2.gz STPFQRWIOHHMLQ-UHFFFAOYSA-N 0 0 426.445 1.511 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C ZINC000009492516 569540577 /nfs/dbraw/zinc/54/05/77/569540577.db2.gz FDYGDRLPRCWJHS-UHFFFAOYSA-N 0 0 447.513 1.465 50 0 IDAARN C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009493653 569540818 /nfs/dbraw/zinc/54/08/18/569540818.db2.gz IZXTZGMMVOCUHW-AWEZNQCLSA-N 0 0 433.486 1.875 50 0 IDAARN COc1ccc2oc(C(=O)OCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)c(C)c2c1 ZINC000009508744 569542399 /nfs/dbraw/zinc/54/23/99/569542399.db2.gz DPINYJMRJKFZJF-UHFFFAOYSA-N 0 0 425.397 1.743 50 0 IDAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000009515913 569543397 /nfs/dbraw/zinc/54/33/97/569543397.db2.gz KGTYLFYPGXJDIK-UHFFFAOYSA-N 0 0 427.342 1.160 50 0 IDAARN COc1ccccc1-c1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000009517543 569543613 /nfs/dbraw/zinc/54/36/13/569543613.db2.gz CTDIDLPCTNRGON-UHFFFAOYSA-N 0 0 441.513 1.417 50 0 IDAARN COc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)NC2=O)cc1 ZINC000009526776 569544497 /nfs/dbraw/zinc/54/44/97/569544497.db2.gz FEWXIMHDBIDBJR-UHFFFAOYSA-N 0 0 436.468 1.774 50 0 IDAARN Cn1c2nc(NC[C@@H]3CCCO3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000009546474 569546314 /nfs/dbraw/zinc/54/63/14/569546314.db2.gz GVVZLRBKVMWAAI-AWEZNQCLSA-N 0 0 448.321 1.835 50 0 IDAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009549115 569546554 /nfs/dbraw/zinc/54/65/54/569546554.db2.gz NMEKICRZIBVQMF-UHFFFAOYSA-N 0 0 446.467 1.633 50 0 IDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000009549380 569546627 /nfs/dbraw/zinc/54/66/27/569546627.db2.gz QROJCIGUEHXGSS-UHFFFAOYSA-N 0 0 429.502 1.936 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)NCc3nnnn3-c3ccc(F)c(F)c3)CC2=O)cc1 ZINC000009570960 569547674 /nfs/dbraw/zinc/54/76/74/569547674.db2.gz APGDDNHRGXZKQQ-GFCCVEGCSA-N 0 0 428.399 1.618 50 0 IDAARN O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nnnn1-c1ccc(F)c(F)c1 ZINC000009570976 569547681 /nfs/dbraw/zinc/54/76/81/569547681.db2.gz NRNVMRXFNFRDHA-UHFFFAOYSA-N 0 0 426.383 1.633 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009576616 569548130 /nfs/dbraw/zinc/54/81/30/569548130.db2.gz FPMZWMVMJKFDHS-IBGZPJMESA-N 0 0 431.514 1.165 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCC(C)C)cc1C ZINC000009577416 569548149 /nfs/dbraw/zinc/54/81/49/569548149.db2.gz SDHZGXACCBBJPA-GOSISDBHSA-N 0 0 441.550 1.019 50 0 IDAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NC[C@@H]1CCCO1 ZINC000009578379 569548320 /nfs/dbraw/zinc/54/83/20/569548320.db2.gz AMSUOWHXWXTYJL-INIZCTEOSA-N 0 0 440.529 1.484 50 0 IDAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000009579762 569548565 /nfs/dbraw/zinc/54/85/65/569548565.db2.gz VBSIEJQPLBEWOR-FQEVSTJZSA-N 0 0 448.479 1.367 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009579972 569548650 /nfs/dbraw/zinc/54/86/50/569548650.db2.gz OWGZKGAGMQPIRN-HRAATJIYSA-N 0 0 433.530 1.196 50 0 IDAARN CCc1ccc(OCCS(=O)(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000070637885 569548944 /nfs/dbraw/zinc/54/89/44/569548944.db2.gz UOMKLJVRINFQSM-UHFFFAOYSA-N 0 0 433.530 1.936 50 0 IDAARN C[C@H](C(=O)NCCn1nc(-c2ccccc2)ccc1=O)n1nc(-n2cccn2)ccc1=O ZINC000070655916 569550049 /nfs/dbraw/zinc/55/00/49/569550049.db2.gz BOWHTGDOFMOXAO-MRXNPFEDSA-N 0 0 431.456 1.030 50 0 IDAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000009592736 569550320 /nfs/dbraw/zinc/55/03/20/569550320.db2.gz YHGYBNHZOGDCCE-UHFFFAOYSA-N 0 0 438.465 1.381 50 0 IDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 ZINC000009600299 569551483 /nfs/dbraw/zinc/55/14/83/569551483.db2.gz CKWWPAJXNHRGCO-QGZVFWFLSA-N 0 0 437.905 1.120 50 0 IDAARN O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009602163 569551685 /nfs/dbraw/zinc/55/16/85/569551685.db2.gz KGCRWDBPSPQJOL-UHFFFAOYSA-N 0 0 437.202 1.529 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)N1CCC(C(N)=O)CC1 ZINC000009604985 569551889 /nfs/dbraw/zinc/55/18/89/569551889.db2.gz WEGIVPZFAFZEMG-UHFFFAOYSA-N 0 0 447.532 1.993 50 0 IDAARN O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009607343 569552048 /nfs/dbraw/zinc/55/20/48/569552048.db2.gz NHHMGTNWZPGLRW-UHFFFAOYSA-N 0 0 442.501 1.675 50 0 IDAARN COc1cc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)cc(OC)c1 ZINC000009610456 569552538 /nfs/dbraw/zinc/55/25/38/569552538.db2.gz IEMGMQWULBMYJL-UHFFFAOYSA-N 0 0 426.473 1.838 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)c1 ZINC000009610462 569552540 /nfs/dbraw/zinc/55/25/40/569552540.db2.gz ZPFYDTPFXHFDNC-UHFFFAOYSA-N 0 0 438.484 1.997 50 0 IDAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cc1 ZINC000009615109 569553125 /nfs/dbraw/zinc/55/31/25/569553125.db2.gz OTLGELFLZVFAJL-UHFFFAOYSA-N 0 0 447.546 1.687 50 0 IDAARN CC[C@@H](C)N(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009634662 569554488 /nfs/dbraw/zinc/55/44/88/569554488.db2.gz BKQNPAHAWGUXCE-HIFRSBDPSA-N 0 0 431.532 1.061 50 0 IDAARN CCS(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 ZINC000009616558 569553290 /nfs/dbraw/zinc/55/32/90/569553290.db2.gz VSZWFVAQBAPMHP-UHFFFAOYSA-N 0 0 449.554 1.726 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)N1CCCC1=O ZINC000009630968 569553730 /nfs/dbraw/zinc/55/37/30/569553730.db2.gz MCVWMRKTQCRXMW-UHFFFAOYSA-N 0 0 438.502 1.566 50 0 IDAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009633309 569554208 /nfs/dbraw/zinc/55/42/08/569554208.db2.gz ULKSENDRUIPPMD-UHFFFAOYSA-N 0 0 436.461 1.951 50 0 IDAARN COC(=O)c1cc(NC(=O)COC(=O)CCn2c(C)csc2=O)cc(C(=O)OC)c1 ZINC000009633224 569554242 /nfs/dbraw/zinc/55/42/42/569554242.db2.gz ZFCOXDFYDLMLCW-UHFFFAOYSA-N 0 0 436.442 1.363 50 0 IDAARN CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009633448 569554300 /nfs/dbraw/zinc/55/43/00/569554300.db2.gz IIQFIXWZWFAVPV-UHFFFAOYSA-N 0 0 447.513 1.788 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(N)cc1 ZINC000009636251 569554716 /nfs/dbraw/zinc/55/47/16/569554716.db2.gz DKGATRPIZKFMCT-UHFFFAOYSA-N 0 0 449.485 1.094 50 0 IDAARN COc1cc(C2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccc(O)cc4)N3N2)cc(OC)c1OC ZINC000009637902 569554957 /nfs/dbraw/zinc/55/49/57/569554957.db2.gz DEHDLCKGAJBHFG-SFHVURJKSA-N 0 0 437.456 1.855 50 0 IDAARN CCOC(=O)C1=C(COC(=O)c2ccccc2-n2cnnn2)NC(=O)N[C@H]1c1ccccc1 ZINC000009639748 569555201 /nfs/dbraw/zinc/55/52/01/569555201.db2.gz KQJAGDNQSYQYIW-IBGZPJMESA-N 0 0 448.439 1.690 50 0 IDAARN CCN(CC)c1nn2c(ncc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)c2=O)s1 ZINC000009641794 569555768 /nfs/dbraw/zinc/55/57/68/569555768.db2.gz HSHPETWWPFTFDS-UHFFFAOYSA-N 0 0 447.517 1.953 50 0 IDAARN CC(=O)Nc1ccc(CC(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009643811 569555959 /nfs/dbraw/zinc/55/59/59/569555959.db2.gz OENSEQYALYBDSD-HXUWFJFHSA-N 0 0 444.509 1.951 50 0 IDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cn3c(cccc3C)n2)c(=O)[nH]c1=O ZINC000009644933 569556072 /nfs/dbraw/zinc/55/60/72/569556072.db2.gz OKAAVMIOIIKDIL-UHFFFAOYSA-N 0 0 448.483 1.568 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccccc3)CC2)cc1OC ZINC000009645403 569556115 /nfs/dbraw/zinc/55/61/15/569556115.db2.gz HWVSCVAPAUXKBW-UHFFFAOYSA-N 0 0 449.529 1.799 50 0 IDAARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000009646336 569556234 /nfs/dbraw/zinc/55/62/34/569556234.db2.gz DFFTWHOOYUMFIW-IBGZPJMESA-N 0 0 442.479 1.480 50 0 IDAARN COc1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)c(OC)c1 ZINC000009660472 569556807 /nfs/dbraw/zinc/55/68/07/569556807.db2.gz OOYGUGFKYFAJSP-UHFFFAOYSA-N 0 0 431.470 1.851 50 0 IDAARN O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)NC[C@H]1CCCO1 ZINC000009660779 569556933 /nfs/dbraw/zinc/55/69/33/569556933.db2.gz ZCAGRXWXBCDKNL-QGZVFWFLSA-N 0 0 434.924 1.522 50 0 IDAARN Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1CC(F)(F)F ZINC000009666467 569557761 /nfs/dbraw/zinc/55/77/61/569557761.db2.gz XKMXOYILABDFAZ-UHFFFAOYSA-N 0 0 431.802 1.951 50 0 IDAARN COc1ccc(CN(C(=O)c2nn(C)c(=O)c3ccccc32)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009666740 569557812 /nfs/dbraw/zinc/55/78/12/569557812.db2.gz GHFVUSIVVWNLKN-INIZCTEOSA-N 0 0 441.509 1.772 50 0 IDAARN COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000009688654 569560826 /nfs/dbraw/zinc/56/08/26/569560826.db2.gz WOLNYSCRNUBDDY-HNNXBMFYSA-N 0 0 445.497 1.847 50 0 IDAARN CC[C@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000009690607 569560966 /nfs/dbraw/zinc/56/09/66/569560966.db2.gz YLEPQPZMSPJYNW-SFHVURJKSA-N 0 0 442.925 1.492 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1C ZINC000009691421 569560983 /nfs/dbraw/zinc/56/09/83/569560983.db2.gz VRHKTXZIHDXARN-UHFFFAOYSA-N 0 0 447.557 1.456 50 0 IDAARN CCOC(=O)CN1c2ccccc2[C@@]2(C1=O)C(C(=O)OCC)=C(C)OC(N)=C2C(=O)OC ZINC000009695326 569561223 /nfs/dbraw/zinc/56/12/23/569561223.db2.gz ALPTWAQSJPZMST-JOCHJYFZSA-N 0 0 444.440 1.045 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000009704009 569561423 /nfs/dbraw/zinc/56/14/23/569561423.db2.gz FDGLCEVJBHVJCL-QFIPXVFZSA-N 0 0 439.424 1.982 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cc(C)ccc2OC)n(C)c1=O ZINC000009713122 569562469 /nfs/dbraw/zinc/56/24/69/569562469.db2.gz NPKRXVSXYWBRAT-UHFFFAOYSA-N 0 0 425.445 1.245 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2cc(Cl)ccc2OC)n(C)c1=O ZINC000009713087 569562490 /nfs/dbraw/zinc/56/24/90/569562490.db2.gz NFEJRCBTYGHFPM-UHFFFAOYSA-N 0 0 431.836 1.282 50 0 IDAARN Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccc(Cl)cc3)c2c(=O)n(CC(N)=O)c1=O ZINC000009713376 569562609 /nfs/dbraw/zinc/56/26/09/569562609.db2.gz QQKKJXRBJPKVFP-UHFFFAOYSA-N 0 0 448.870 1.944 50 0 IDAARN Cc1nnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1Cc1ccccc1 ZINC000009725585 569563838 /nfs/dbraw/zinc/56/38/38/569563838.db2.gz QCDICZWQTPOSER-UHFFFAOYSA-N 0 0 425.518 1.564 50 0 IDAARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009727652 569564074 /nfs/dbraw/zinc/56/40/74/569564074.db2.gz KPJIHDMTAXAWCB-UHFFFAOYSA-N 0 0 447.557 1.370 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)NCc1ccc(C)o1 ZINC000009742299 569565350 /nfs/dbraw/zinc/56/53/50/569565350.db2.gz XRYVENLHJRVTBR-HXUWFJFHSA-N 0 0 447.513 1.203 50 0 IDAARN COCCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000009745942 569565708 /nfs/dbraw/zinc/56/57/08/569565708.db2.gz RUFNBGXODWSJPR-GOSISDBHSA-N 0 0 439.578 1.424 50 0 IDAARN O=C(NCCc1ccco1)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009747259 569565841 /nfs/dbraw/zinc/56/58/41/569565841.db2.gz QDFARVZDFFMMNK-HNNXBMFYSA-N 0 0 439.559 1.750 50 0 IDAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C(=O)N3CCOCC3)s2)c1 ZINC000009748336 569565894 /nfs/dbraw/zinc/56/58/94/569565894.db2.gz FJPZOFAGKZPQCD-UHFFFAOYSA-N 0 0 437.543 1.788 50 0 IDAARN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000009762551 569566520 /nfs/dbraw/zinc/56/65/20/569566520.db2.gz UWRSMHYKYWQDQM-ICSRJNTNSA-N 0 0 438.553 1.991 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2C)S(=O)(=O)c2ccccc2)CC1 ZINC000009764194 569566709 /nfs/dbraw/zinc/56/67/09/569566709.db2.gz YBMRNLICBFYVHP-NRFANRHFSA-N 0 0 443.525 1.216 50 0 IDAARN Cn1c2nc(NCCOCCO)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000009782496 569567716 /nfs/dbraw/zinc/56/77/16/569567716.db2.gz RCOFQMDFPCVFMT-UHFFFAOYSA-N 0 0 442.303 1.210 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1 ZINC000009782945 569567757 /nfs/dbraw/zinc/56/77/57/569567757.db2.gz WHPGKRWRGBMGDK-UHFFFAOYSA-N 0 0 440.525 1.628 50 0 IDAARN O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000009792394 569568261 /nfs/dbraw/zinc/56/82/61/569568261.db2.gz LTMGXOHVWYBAMA-MRXNPFEDSA-N 0 0 426.498 1.196 50 0 IDAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009794955 569568397 /nfs/dbraw/zinc/56/83/97/569568397.db2.gz VJANDOXKNSOQCY-BTYIYWSLSA-N 0 0 429.498 1.252 50 0 IDAARN COc1cccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000009807018 569568960 /nfs/dbraw/zinc/56/89/60/569568960.db2.gz FLCNBPCFSKTYSK-OAHLLOKOSA-N 0 0 437.543 1.342 50 0 IDAARN Cn1cc(C(=O)N2CCC(C(N)=O)CC2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000009820153 569569369 /nfs/dbraw/zinc/56/93/69/569569369.db2.gz YRQPQMDWDRGFQU-UHFFFAOYSA-N 0 0 429.864 1.008 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)c1 ZINC000009822630 569569584 /nfs/dbraw/zinc/56/95/84/569569584.db2.gz FQLKIAKKHWKZML-AWEZNQCLSA-N 0 0 448.483 1.753 50 0 IDAARN COc1cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000009828368 569569791 /nfs/dbraw/zinc/56/97/91/569569791.db2.gz UTOZBCFMWQKPSC-UHFFFAOYSA-N 0 0 434.514 1.830 50 0 IDAARN CCOC(=O)CCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(OCC)cc2)n(C)c1=O ZINC000009829408 569570062 /nfs/dbraw/zinc/57/00/62/569570062.db2.gz FFOBFFYSWGBJJF-UHFFFAOYSA-N 0 0 439.472 1.799 50 0 IDAARN CCOCCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(C(=O)OCC)cc2)n(C)c1=O ZINC000009829435 569570081 /nfs/dbraw/zinc/57/00/81/569570081.db2.gz VIKKMEQFWBLWHX-UHFFFAOYSA-N 0 0 439.472 1.660 50 0 IDAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCC1 ZINC000009857967 569571711 /nfs/dbraw/zinc/57/17/11/569571711.db2.gz YVELNNLLHIAFHU-AWEZNQCLSA-N 0 0 427.548 1.590 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)cc1 ZINC000009857412 569571671 /nfs/dbraw/zinc/57/16/71/569571671.db2.gz UTVQZHLNWLRUGF-UHFFFAOYSA-N 0 0 432.440 1.770 50 0 IDAARN COc1cccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(OC)c(OC)c2)c3=O)c1 ZINC000009857648 569571686 /nfs/dbraw/zinc/57/16/86/569571686.db2.gz GMWWFRWMDIJWLP-UHFFFAOYSA-N 0 0 436.428 1.642 50 0 IDAARN O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009865205 569572133 /nfs/dbraw/zinc/57/21/33/569572133.db2.gz IXLSHINLUSVATA-UHFFFAOYSA-N 0 0 441.513 1.995 50 0 IDAARN CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C ZINC000009878014 569572731 /nfs/dbraw/zinc/57/27/31/569572731.db2.gz QQFTZMOTUJQMNJ-UHFFFAOYSA-N 0 0 431.434 1.326 50 0 IDAARN O=C(COc1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009884977 569572850 /nfs/dbraw/zinc/57/28/50/569572850.db2.gz FAWXTFRJJDEBDH-UHFFFAOYSA-N 0 0 434.499 1.710 50 0 IDAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000071279710 569573566 /nfs/dbraw/zinc/57/35/66/569573566.db2.gz ZTDFGGWUBKMOTB-CQSZACIVSA-N 0 0 436.921 1.646 50 0 IDAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCc2nnc3ccccn32)C1=O ZINC000009952200 569574572 /nfs/dbraw/zinc/57/45/72/569574572.db2.gz KNCSSRNGMCMQKT-QHCPKHFHSA-N 0 0 428.452 1.966 50 0 IDAARN O=C(OCn1nnc2ccccc2c1=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009958696 569574902 /nfs/dbraw/zinc/57/49/02/569574902.db2.gz FLRKGJXEZVWTFM-GOSISDBHSA-N 0 0 428.470 1.536 50 0 IDAARN CC(C)[C@H](OC(=O)c1ccccc1S[C@H](C(=O)NC(N)=O)C(C)C)C(=O)NC(N)=O ZINC000009963307 569575749 /nfs/dbraw/zinc/57/57/49/569575749.db2.gz POWPEOPILIVMCT-KBPBESRZSA-N 0 0 438.506 1.375 50 0 IDAARN COc1ccc(NCCN2N=C(C)[C@@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl ZINC000010108891 569577929 /nfs/dbraw/zinc/57/79/29/569577929.db2.gz QZCVWHLTXUTKNJ-GFCCVEGCSA-N 0 0 445.911 1.965 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000010188065 569578792 /nfs/dbraw/zinc/57/87/92/569578792.db2.gz HYUVTNSBLUUHSW-LLVKDONJSA-N 0 0 446.437 1.432 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000010188051 569578814 /nfs/dbraw/zinc/57/88/14/569578814.db2.gz NIUBCRSLVCTGNY-UHFFFAOYSA-N 0 0 446.437 1.433 50 0 IDAARN COc1ccc(Cn2nnnc2SCC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)cc1 ZINC000010213391 569579004 /nfs/dbraw/zinc/57/90/04/569579004.db2.gz HDESWZWINIWSLX-UHFFFAOYSA-N 0 0 441.473 1.907 50 0 IDAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000010228510 569579277 /nfs/dbraw/zinc/57/92/77/569579277.db2.gz RNEXEXCQZZVEEE-KRWDZBQOSA-N 0 0 430.530 1.905 50 0 IDAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCCCOC(C)C)CS(=O)(=O)C2 ZINC000010250577 569579807 /nfs/dbraw/zinc/57/98/07/569579807.db2.gz ZAMRMFCCSAEZIL-UHFFFAOYSA-N 0 0 434.518 1.479 50 0 IDAARN CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2C(N)=O)C1 ZINC000010252752 569579887 /nfs/dbraw/zinc/57/98/87/569579887.db2.gz ZLKMXDRZYLZIPX-UHFFFAOYSA-N 0 0 435.527 1.336 50 0 IDAARN CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000010255955 569579982 /nfs/dbraw/zinc/57/99/82/569579982.db2.gz GIQLPBFGCZAHKM-IBGZPJMESA-N 0 0 429.498 1.025 50 0 IDAARN CC(C)CCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(N)=O)c2=O)CC1 ZINC000010273803 569580283 /nfs/dbraw/zinc/58/02/83/569580283.db2.gz UFXBQAFYEGRLFF-UHFFFAOYSA-N 0 0 434.562 1.679 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000010288510 569580548 /nfs/dbraw/zinc/58/05/48/569580548.db2.gz YBMJTVHFCRVSBW-UHFFFAOYSA-N 0 0 440.543 1.707 50 0 IDAARN O=C(c1ccc(Cn2cncn2)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000010391341 569581845 /nfs/dbraw/zinc/58/18/45/569581845.db2.gz VTHHMTGJSYZWJS-UHFFFAOYSA-N 0 0 447.467 1.751 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1 ZINC000032104559 569583520 /nfs/dbraw/zinc/58/35/20/569583520.db2.gz RMOGOXLWLPQONR-OAHLLOKOSA-N 0 0 430.511 1.814 50 0 IDAARN CCOC(=O)c1sc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)nc1C ZINC000095475414 569584376 /nfs/dbraw/zinc/58/43/76/569584376.db2.gz PNEFDDVXKVVSIH-AWEZNQCLSA-N 0 0 430.486 2.324 50 0 IDAARN CS(=O)(=O)c1ccc2nc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)sc2c1 ZINC000044902102 569584896 /nfs/dbraw/zinc/58/48/96/569584896.db2.gz ZYXXFZYYJBKKQK-UHFFFAOYSA-N 0 0 440.506 2.562 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCc3ccccn3)o2)cc1 ZINC000077099352 569585155 /nfs/dbraw/zinc/58/51/55/569585155.db2.gz IDQXBPSIQDHZLL-UHFFFAOYSA-N 0 0 433.515 1.937 50 0 IDAARN Cn1nc([C@H]2CCCN(C(=O)Cn3c4ccccc4oc3=O)C2)n(-c2ccccc2)c1=O ZINC000077100588 569585399 /nfs/dbraw/zinc/58/53/99/569585399.db2.gz ZNCOSMAUFOSLHN-INIZCTEOSA-N 0 0 433.468 1.885 50 0 IDAARN O=C(c1cccc(-n2cnnn2)c1)N1CCN(CCn2ccnc2-c2ccccc2)CC1 ZINC000077158601 569585692 /nfs/dbraw/zinc/58/56/92/569585692.db2.gz UQSRUCQSLVLYKR-UHFFFAOYSA-N 0 0 428.500 1.984 50 0 IDAARN COc1ccccc1Cc1noc(C2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000077191315 569585902 /nfs/dbraw/zinc/58/59/02/569585902.db2.gz QTCPOKPYBLMLMP-UHFFFAOYSA-N 0 0 434.518 1.266 50 0 IDAARN COc1ccccc1[C@H](O)Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 ZINC000077197224 569586183 /nfs/dbraw/zinc/58/61/83/569586183.db2.gz KFFSBIYNSWCYSP-QGZVFWFLSA-N 0 0 425.445 1.212 50 0 IDAARN O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200694 569586486 /nfs/dbraw/zinc/58/64/86/569586486.db2.gz GPUUDKUPIDCZCK-QGZVFWFLSA-N 0 0 444.575 1.971 50 0 IDAARN COc1ccc(OC)c(-c2cc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)n(C)n2)c1 ZINC000077200895 569586560 /nfs/dbraw/zinc/58/65/60/569586560.db2.gz NJNNLYHOCVVULL-UHFFFAOYSA-N 0 0 436.534 1.506 50 0 IDAARN O=S(=O)(CCN(C1CCCCCC1)S(=O)(=O)c1cccs1)N1CCNCC1 ZINC000033114856 569587331 /nfs/dbraw/zinc/58/73/31/569587331.db2.gz RGMNNQZAPHYDSN-UHFFFAOYSA-N 0 0 435.637 1.697 50 0 IDAARN CCOC(=O)C1C(=O)[C@H](C(=O)OCC)[C@@H]2C(C(=O)OCC)C(=O)[C@@H](C(=O)OCC)[C@@H]12 ZINC000101092820 569588174 /nfs/dbraw/zinc/58/81/74/569588174.db2.gz WVVBBPFQBUNSER-BTKYGKRLSA-N 0 0 426.418 1.355 50 0 IDAARN CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000033859903 122898006 /nfs/dbraw/zinc/89/80/06/122898006.db2.gz VCNVWHKIPHPGAX-RQZCQDPDSA-N 0 0 441.531 1.164 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000629399 193862669 /nfs/dbraw/zinc/86/26/69/193862669.db2.gz FETCBGZRWUBUOL-AWEZNQCLSA-N 0 0 425.445 1.377 50 0 biogenic IDAARN CN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2cccc(F)c2)C1=S ZINC000000662343 193876882 /nfs/dbraw/zinc/87/68/82/193876882.db2.gz YVCGPKYBMGQPPK-QGZVFWFLSA-N 0 0 428.489 1.647 50 0 IDAARN O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F ZINC000006101682 193879350 /nfs/dbraw/zinc/87/93/50/193879350.db2.gz LRSBEOIKDVJREK-UHFFFAOYSA-N 0 0 435.477 1.678 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)c(OC)c1 ZINC000009857436 193909365 /nfs/dbraw/zinc/90/93/65/193909365.db2.gz AJHSROWYTSPLLC-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)cc1 ZINC000009857408 193909416 /nfs/dbraw/zinc/90/94/16/193909416.db2.gz QHEYJGVGDBGGLW-UHFFFAOYSA-N 0 0 432.440 1.755 50 0 IDAARN CCOC(=O)N1CCN(C(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccn2)CC1 ZINC000009858636 193909895 /nfs/dbraw/zinc/90/98/95/193909895.db2.gz STWNMZYGCDRNFT-UHFFFAOYSA-N 0 0 432.502 1.821 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000054277984 193930216 /nfs/dbraw/zinc/93/02/16/193930216.db2.gz GOPRDOIPXZQVEI-OAQYLSRUSA-N 0 0 435.528 1.164 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000096224167 193936631 /nfs/dbraw/zinc/93/66/31/193936631.db2.gz UEGUDOLBBKVSAQ-SFHVURJKSA-N 0 0 442.497 1.676 50 0 IDAARN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4ncn(C)c(=O)c4c3)CC2=O)cc1OC ZINC000096223899 193936820 /nfs/dbraw/zinc/93/68/20/193936820.db2.gz AWHKOHYQFUESCQ-OAHLLOKOSA-N 0 0 436.468 1.938 50 0 IDAARN COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)CCN1C(=O)COc2ccccc21 ZINC000096313896 132225733 /nfs/dbraw/zinc/22/57/33/132225733.db2.gz YOJJRZWHPXBMHE-WQRHYEAKSA-N 0 0 434.470 1.325 50 0 IDAARN Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000009569903 132235125 /nfs/dbraw/zinc/23/51/25/132235125.db2.gz YFXMSJDSTVGSKM-UHFFFAOYSA-N 0 0 435.521 1.781 50 0 IDAARN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCn2cnc3ccccc32)c1 ZINC000009684163 132236922 /nfs/dbraw/zinc/23/69/22/132236922.db2.gz OKKGHCKPXDRBHW-UHFFFAOYSA-N 0 0 443.529 1.340 50 0 IDAARN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2cc(CC(=O)OC)ccc2O1 ZINC000001399662 132244847 /nfs/dbraw/zinc/24/48/47/132244847.db2.gz RCKIBSYZUDIORJ-IBGZPJMESA-N 0 0 449.481 1.930 50 0 IDAARN CCOC(=O)c1nnn(-c2nc(OCC)nc(N3CCOCC3)n2)c1-c1ccccc1 ZINC000001446089 132245585 /nfs/dbraw/zinc/24/55/85/132245585.db2.gz LEVVKMYLMWHZGP-UHFFFAOYSA-N 0 0 425.449 1.531 50 0 IDAARN CCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000002627961 132255444 /nfs/dbraw/zinc/25/54/44/132255444.db2.gz DIBWYWURVAVCHM-UHFFFAOYSA-N 0 0 433.512 1.973 50 0 IDAARN Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000002643205 132255687 /nfs/dbraw/zinc/25/56/87/132255687.db2.gz YCJHQIRPNHYYCU-UHFFFAOYSA-N 0 0 429.546 1.922 50 0 IDAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 ZINC000003376749 132264873 /nfs/dbraw/zinc/26/48/73/132264873.db2.gz CGDLRHYREPXHBE-XMMPIXPASA-N 0 0 434.496 1.737 50 0 IDAARN Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCN(c4ccccn4)CC3)cc2s1 ZINC000003959424 132268408 /nfs/dbraw/zinc/26/84/08/132268408.db2.gz XSODAPZTQZLANY-UHFFFAOYSA-N 0 0 431.543 1.627 50 0 IDAARN CCOC(=O)[C@H]1CCCN(c2c(=O)c(=O)c2N2CCN(c3cccc(OC)c3)CC2)C1 ZINC000004910977 132274570 /nfs/dbraw/zinc/27/45/70/132274570.db2.gz KWXXDWJXELTSNP-INIZCTEOSA-N 0 0 427.501 1.397 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000008687802 132290544 /nfs/dbraw/zinc/29/05/44/132290544.db2.gz UEOVVWZCOBTMJZ-UHFFFAOYSA-N 0 0 445.541 1.508 50 0 IDAARN NC(=O)[C@H]1CN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c2ccccc2O1 ZINC000008706762 132291157 /nfs/dbraw/zinc/29/11/57/132291157.db2.gz OZJGNSIICWCMBZ-QGZVFWFLSA-N 0 0 446.389 1.978 50 0 IDAARN CCCCCN1C(=O)NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N(CC)[C@@H]2C)C1=O ZINC000008739121 132292483 /nfs/dbraw/zinc/29/24/83/132292483.db2.gz GSJPVWMHGHBZSS-PEBXRYMYSA-N 0 0 425.489 1.720 50 0 IDAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(CC(=O)NC4CC4)CC3)c2c1C ZINC000008751152 132292834 /nfs/dbraw/zinc/29/28/34/132292834.db2.gz TYLYYNRZWPVFCU-UHFFFAOYSA-N 0 0 444.605 1.541 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3nc(Cl)nc4nc[nH]c43)CC2)cc1 ZINC000008992718 132300053 /nfs/dbraw/zinc/30/00/53/132300053.db2.gz VIQVQQGNVNRVLP-UHFFFAOYSA-N 0 0 449.924 1.187 50 0 IDAARN Cc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)NC(C)C)cc32)cc1 ZINC000009211601 132309235 /nfs/dbraw/zinc/30/92/35/132309235.db2.gz RIONVPXCVGVVMV-UHFFFAOYSA-N 0 0 445.541 1.766 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3C(=O)COc4ccccc43)CC2)cc1 ZINC000009216919 132309354 /nfs/dbraw/zinc/30/93/54/132309354.db2.gz VWSQNCGIKHLAEI-UHFFFAOYSA-N 0 0 443.525 1.644 50 0 IDAARN O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000009245187 132310587 /nfs/dbraw/zinc/31/05/87/132310587.db2.gz LPIUTXJRRTYZOZ-GIJQJNRQSA-N 0 0 441.557 1.838 50 0 IDAARN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NC[C@H]1CCCO1 ZINC000009295434 132312884 /nfs/dbraw/zinc/31/28/84/132312884.db2.gz CXSZHLQXEFLVRK-MRXNPFEDSA-N 0 0 430.534 1.839 50 0 IDAARN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NC[C@@H]1CCCO1 ZINC000009295433 132312900 /nfs/dbraw/zinc/31/29/00/132312900.db2.gz CXSZHLQXEFLVRK-INIZCTEOSA-N 0 0 430.534 1.839 50 0 IDAARN C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000009429114 132316776 /nfs/dbraw/zinc/31/67/76/132316776.db2.gz JDBKDWQSEAARNV-JOCHJYFZSA-N 0 0 434.456 1.339 50 0 IDAARN O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccccc1F ZINC000009427173 132316789 /nfs/dbraw/zinc/31/67/89/132316789.db2.gz JROCGMAEBVIGOF-UHFFFAOYSA-N 0 0 434.497 1.415 50 0 IDAARN CC(C)CN1C(=O)NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000009448852 132317939 /nfs/dbraw/zinc/31/79/39/132317939.db2.gz SFSFCPFIULJWDS-MWTRTKDXSA-N 0 0 437.500 1.720 50 0 IDAARN O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc(I)cc1)CN=2 ZINC000009462811 132318217 /nfs/dbraw/zinc/31/82/17/132318217.db2.gz KWIIQVFCVFTZSI-NVNXTCNLSA-N 0 0 448.289 1.793 50 0 IDAARN O=C(C1CCN(c2ncccn2)CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000009486064 132319095 /nfs/dbraw/zinc/31/90/95/132319095.db2.gz CWMRNUOWBFHZDP-HXUWFJFHSA-N 0 0 437.500 1.204 50 0 IDAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1cccs1 ZINC000009491698 132319364 /nfs/dbraw/zinc/31/93/64/132319364.db2.gz LNMICRFORVJQOG-UHFFFAOYSA-N 0 0 437.543 1.858 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O ZINC000009532765 132321052 /nfs/dbraw/zinc/32/10/52/132321052.db2.gz UULHTPCWGYDSIG-JOCHJYFZSA-N 0 0 436.424 1.210 50 0 IDAARN O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000009672692 132325190 /nfs/dbraw/zinc/32/51/90/132325190.db2.gz FYFWLKADQSSMKN-NRFANRHFSA-N 0 0 439.468 1.158 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccn1)C(=O)CO2 ZINC000009694047 132326474 /nfs/dbraw/zinc/32/64/74/132326474.db2.gz OKLYYVYKEXSXIP-UHFFFAOYSA-N 0 0 432.502 1.154 50 0 IDAARN CC(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2ccccc21 ZINC000009832066 132329554 /nfs/dbraw/zinc/32/95/54/132329554.db2.gz RROVDQREIPTIDY-HXUWFJFHSA-N 0 0 445.497 1.460 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)N2CCN(c4ccccc4)CC2)c3=O)cc1 ZINC000009860190 132330375 /nfs/dbraw/zinc/33/03/75/132330375.db2.gz MMPZMFVOMYYKCT-UHFFFAOYSA-N 0 0 445.483 1.335 50 0 IDAARN O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000009906921 132331222 /nfs/dbraw/zinc/33/12/22/132331222.db2.gz GRYILIOCPMAGFF-UHFFFAOYSA-N 0 0 443.685 1.428 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCCC2)C(=O)CO3)C1 ZINC000009963456 132333100 /nfs/dbraw/zinc/33/31/00/132333100.db2.gz AYJZTXPKBNJQFT-HZPDHXFCSA-N 0 0 435.546 1.701 50 0 IDAARN C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000010072929 132334572 /nfs/dbraw/zinc/33/45/72/132334572.db2.gz AUXKVMQUSCOAJX-HNNXBMFYSA-N 0 0 436.468 1.873 50 0 IDAARN Cc1cc(N2CCN(C(=O)CCn3c4ccccc4c(=O)[nH]c3=O)CC2)nc(C(C)C)n1 ZINC000011077673 132337208 /nfs/dbraw/zinc/33/72/08/132337208.db2.gz ZXJSLZVAIBCPNJ-UHFFFAOYSA-N 0 0 436.516 1.651 50 0 IDAARN O=C(COc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000011796217 132340162 /nfs/dbraw/zinc/34/01/62/132340162.db2.gz YDJSQWMEAQKRTP-UHFFFAOYSA-N 0 0 435.521 1.863 50 0 IDAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000011859353 132340578 /nfs/dbraw/zinc/34/05/78/132340578.db2.gz JQIBTMKDCYIJLW-UHFFFAOYSA-N 0 0 435.527 1.264 50 0 IDAARN CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000012984237 132341231 /nfs/dbraw/zinc/34/12/31/132341231.db2.gz GIMDHBRSASDICS-JOCHJYFZSA-N 0 0 426.517 1.754 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)NC(=O)NC1 ZINC000012990146 132341425 /nfs/dbraw/zinc/34/14/25/132341425.db2.gz AINLACYGAIKZHL-UHFFFAOYSA-N 0 0 428.445 1.459 50 0 IDAARN O=C(c1cnc2n(c1=O)CCS2)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012990958 132341465 /nfs/dbraw/zinc/34/14/65/132341465.db2.gz LWMTZHWJGWVPLM-KRWDZBQOSA-N 0 0 426.498 1.769 50 0 IDAARN Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000013039610 132343188 /nfs/dbraw/zinc/34/31/88/132343188.db2.gz XNJVZJPZHRBMET-UHFFFAOYSA-N 0 0 429.542 1.978 50 0 IDAARN O=C([C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000013131756 132345673 /nfs/dbraw/zinc/34/56/73/132345673.db2.gz PVXJYYIJLXJXAZ-OAHLLOKOSA-N 0 0 437.953 1.813 50 0 IDAARN CCn1nnc2c1ncnc2N1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000013533613 132349340 /nfs/dbraw/zinc/34/93/40/132349340.db2.gz WGIUGMZHNMOTOC-UHFFFAOYSA-N 0 0 435.410 1.988 50 0 IDAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ncccn2)CC1 ZINC000013655328 132352472 /nfs/dbraw/zinc/35/24/72/132352472.db2.gz QOTRULKLNWKULQ-INIZCTEOSA-N 0 0 449.964 1.880 50 0 IDAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000013701010 132353773 /nfs/dbraw/zinc/35/37/73/132353773.db2.gz KULQEKGJMYNGFE-AWEZNQCLSA-N 0 0 436.472 1.847 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c1 ZINC000013848521 132355095 /nfs/dbraw/zinc/35/50/95/132355095.db2.gz WGKADYUPBZVSBV-UHFFFAOYSA-N 0 0 444.517 1.530 50 0 IDAARN CCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)cc1 ZINC000013847983 132355110 /nfs/dbraw/zinc/35/51/10/132355110.db2.gz TTYYFXULJIWKDB-UHFFFAOYSA-N 0 0 443.533 1.682 50 0 IDAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)c1 ZINC000013847971 132355118 /nfs/dbraw/zinc/35/51/18/132355118.db2.gz GFDQZVMIKKIGAV-UHFFFAOYSA-N 0 0 446.533 1.741 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000008987070 518160201 /nfs/dbraw/zinc/16/02/01/518160201.db2.gz JKRXVSLMUSAUSQ-KSFYIVLOSA-N 0 0 425.441 1.418 50 0 IDAARN CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 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CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N(C)c1ccccc1)c(=O)n2C ZINC000012410713 521433209 /nfs/dbraw/zinc/43/32/09/521433209.db2.gz DHENXSAVDXOMGF-UHFFFAOYSA-N 0 0 436.468 1.812 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(N(C)C)c2)cn1C ZINC000021882183 521446499 /nfs/dbraw/zinc/44/64/99/521446499.db2.gz VIQRMVBORJUENI-UHFFFAOYSA-N 0 0 436.534 1.835 50 0 IDAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCOC)N(c1ccc(C)cc1C)C2=O ZINC000021879439 521457867 /nfs/dbraw/zinc/45/78/67/521457867.db2.gz DHLZYKWVUDDHFF-JOCHJYFZSA-N 0 0 428.489 1.858 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1 ZINC000035445331 521526370 /nfs/dbraw/zinc/52/63/70/521526370.db2.gz OULMRDYSNMYVCS-UHFFFAOYSA-N 0 0 441.509 1.963 50 0 IDAARN CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011882663 521534468 /nfs/dbraw/zinc/53/44/68/521534468.db2.gz MFMVHTIKIDGPGF-UHFFFAOYSA-N 0 0 435.535 1.124 50 0 IDAARN CCCC1N=NC(=S)N1CC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000022358658 521568195 /nfs/dbraw/zinc/56/81/95/521568195.db2.gz CSIVCFGQQCMPBD-UHFFFAOYSA-N 0 0 430.578 1.919 50 0 IDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O ZINC000012727316 521632352 /nfs/dbraw/zinc/63/23/52/521632352.db2.gz UIRSFHJSJYZOKH-UHFFFAOYSA-N 0 0 443.548 1.775 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nnnn2-c2ccc(C(C)C)cc2)c(=O)[nH]c1=O ZINC000012903705 521632400 /nfs/dbraw/zinc/63/24/00/521632400.db2.gz CAIDWKIAPWJRIQ-UHFFFAOYSA-N 0 0 429.506 1.603 50 0 IDAARN CCN1CCN(S(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)CC1 ZINC000020935894 521690672 /nfs/dbraw/zinc/69/06/72/521690672.db2.gz FUMNNXUBZKRGOB-UHFFFAOYSA-N 0 0 432.477 1.343 50 0 IDAARN CCOCCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N(CC)CC)cc21 ZINC000020688106 521710580 /nfs/dbraw/zinc/71/05/80/521710580.db2.gz PORYDLCCCWJHJG-UHFFFAOYSA-N 0 0 443.591 1.699 50 0 IDAARN CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000022851603 521731654 /nfs/dbraw/zinc/73/16/54/521731654.db2.gz MSEKJWLJCGEVIQ-LJQANCHMSA-N 0 0 442.491 1.670 50 0 IDAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3F)NC(=O)N2C)CC1 ZINC000036003949 521739814 /nfs/dbraw/zinc/73/98/14/521739814.db2.gz NBCJOWAJAKYRAA-IBGZPJMESA-N 0 0 447.511 1.686 50 0 IDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)c1c(C)n(C)c3ccccc31)c(=O)n2C ZINC000012445557 521829022 /nfs/dbraw/zinc/82/90/22/521829022.db2.gz FHEDDGSQUYUFMZ-UHFFFAOYSA-N 0 0 434.452 1.873 50 0 IDAARN CC[C@H](C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C(=O)OC ZINC000012569448 521852395 /nfs/dbraw/zinc/85/23/95/521852395.db2.gz DDEFJHHJRVDANA-OIPACUDHSA-N 0 0 426.535 1.802 50 0 IDAARN COC(=O)c1cc(CNC(=O)c2ccc3c(c2)OCO3)cc(NC(=O)Cn2cccn2)c1 ZINC000012191428 521854453 /nfs/dbraw/zinc/85/44/53/521854453.db2.gz RZUICRUJBQPUHS-UHFFFAOYSA-N 0 0 436.424 1.967 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)cn1C ZINC000035376031 521905332 /nfs/dbraw/zinc/90/53/32/521905332.db2.gz DICVXPCBEPHGFD-MRXNPFEDSA-N 0 0 435.502 1.921 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(OC)cc2)cn1C ZINC000035375946 521907633 /nfs/dbraw/zinc/90/76/33/521907633.db2.gz FTLBPHURXJOYGH-KRWDZBQOSA-N 0 0 435.502 1.290 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](CO)C(C)C ZINC000012881793 521966950 /nfs/dbraw/zinc/96/69/50/521966950.db2.gz GOIWTMSFBJMTAQ-VQPHJOTRSA-N 0 0 433.574 1.920 50 0 biogenic IDAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@H]3COc4ccccc4O3)o2)cc1 ZINC000035590063 521975222 /nfs/dbraw/zinc/97/52/22/521975222.db2.gz QYCOBCWOTLVWLV-MRXNPFEDSA-N 0 0 430.442 1.765 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(-c2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000035512952 521975473 /nfs/dbraw/zinc/97/54/73/521975473.db2.gz UMQCHKDLQJDJOO-UHFFFAOYSA-N 0 0 430.442 1.646 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c1 ZINC000022705979 521998018 /nfs/dbraw/zinc/99/80/18/521998018.db2.gz YHNAHYDHRLLDLH-KRWDZBQOSA-N 0 0 430.486 1.039 50 0 IDAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000012731801 522001569 /nfs/dbraw/zinc/00/15/69/522001569.db2.gz LYJYLPFHNOYXCK-UHFFFAOYSA-N 0 0 429.498 1.516 50 0 IDAARN COc1cc(Br)c(CCn2c(N)c(Br)c(=O)[nH]c2=O)cc1OC ZINC000012418142 522022303 /nfs/dbraw/zinc/02/23/03/522022303.db2.gz PQRSRSOMHVJDLZ-UHFFFAOYSA-N 0 0 449.099 1.904 50 0 biogenic,in-vitro IDAARN COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C ZINC000012232093 522052196 /nfs/dbraw/zinc/05/21/96/522052196.db2.gz LRGJHTBZSJSETA-UHFFFAOYSA-N 0 0 436.516 1.897 50 0 IDAARN COc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc(OC)c1OC ZINC000023134168 522083235 /nfs/dbraw/zinc/08/32/35/522083235.db2.gz AHPINXHFLWVROZ-UHFFFAOYSA-N 0 0 438.488 1.646 50 0 IDAARN COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)n2N)cc1 ZINC000012348269 522094256 /nfs/dbraw/zinc/09/42/56/522094256.db2.gz SLUXYOJFJVFGJH-UHFFFAOYSA-N 0 0 439.497 1.769 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)n(C)c1 ZINC000012749865 522257835 /nfs/dbraw/zinc/25/78/35/522257835.db2.gz MYVAGXXGLZZSIT-UHFFFAOYSA-N 0 0 433.317 1.951 50 0 IDAARN COc1cc(CNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)cc(OC)c1OC ZINC000021026134 522411146 /nfs/dbraw/zinc/41/11/46/522411146.db2.gz YQXBLIGJIHNUQP-UHFFFAOYSA-N 0 0 435.506 1.443 50 0 IDAARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccoc2)CC1 ZINC000040088949 522412010 /nfs/dbraw/zinc/41/20/10/522412010.db2.gz FZSICBQCXSUJQC-UHFFFAOYSA-N 0 0 426.539 1.053 50 0 IDAARN COc1cc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)cc(OC)c1OC ZINC000012418751 522436681 /nfs/dbraw/zinc/43/66/81/522436681.db2.gz QESRHGVQJXDMMT-UHFFFAOYSA-N 0 0 447.469 1.999 50 0 IDAARN CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020762115 522448493 /nfs/dbraw/zinc/44/84/93/522448493.db2.gz AZKAIMOFWMLQRK-UHFFFAOYSA-N 0 0 435.889 1.881 50 0 IDAARN CN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)Cc1cnn(-c2ccccc2)c1 ZINC000012569216 522492456 /nfs/dbraw/zinc/49/24/56/522492456.db2.gz ZASNNZQBNQPLGS-QHCPKHFHSA-N 0 0 432.484 1.803 50 0 IDAARN COc1cc(NC(=O)Cc2csc(NC(=O)[C@@H]3CCC(=O)N3)n2)cc(OC)c1OC ZINC000012422908 522674984 /nfs/dbraw/zinc/67/49/84/522674984.db2.gz KATXDTHIQQCVSR-LBPRGKRZSA-N 0 0 434.474 1.567 50 0 IDAARN COc1cc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OC)c2N)cc(OC)c1 ZINC000020575003 522734900 /nfs/dbraw/zinc/73/49/00/522734900.db2.gz JGSRDOOZGYVORI-UHFFFAOYSA-N 0 0 426.433 1.777 50 0 IDAARN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(OC)cc1 ZINC000012909209 522793828 /nfs/dbraw/zinc/79/38/28/522793828.db2.gz ZWVXJTOCLVUJRT-LJQANCHMSA-N 0 0 431.514 1.697 50 0 IDAARN COc1cc(OC)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl ZINC000012821126 522799559 /nfs/dbraw/zinc/79/95/59/522799559.db2.gz LQORAUJURZWAMY-JTQLQIEISA-N 0 0 429.882 1.461 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2[C@@]12c1ccccc1NC2=O ZINC000012446734 522896059 /nfs/dbraw/zinc/89/60/59/522896059.db2.gz YZQHICYAWBCXSS-DEOSSOPVSA-N 0 0 444.447 1.574 50 0 IDAARN COc1cc2[nH]c3c(ncn(CCC(=O)NCc4c(C)nn(C)c4C)c3=O)c2cc1OC ZINC000035424116 522987724 /nfs/dbraw/zinc/98/77/24/522987724.db2.gz SOBIYUBWLISDSW-UHFFFAOYSA-N 0 0 438.488 1.952 50 0 IDAARN COc1cc2nc(CSCC(=O)N3CCC4(CC3)OCCO4)[nH]c(=O)c2cc1OC ZINC000012391135 523065813 /nfs/dbraw/zinc/06/58/13/523065813.db2.gz FSGGVMRLEPIQAQ-UHFFFAOYSA-N 0 0 435.502 1.539 50 0 IDAARN COc1cc2ncn(CC(=O)NCC(=O)N[C@H](C)CCCC(C)C)c(=O)c2cc1OC ZINC000020761611 523070877 /nfs/dbraw/zinc/07/08/77/523070877.db2.gz RMUHLEMICPSUOT-OAHLLOKOSA-N 0 0 432.521 1.861 50 0 biogenic IDAARN COC(=O)CCN1C[C@@H](OCc2ccncc2)CN(C(=O)CCc2cccnc2)CC1=O ZINC000014749765 523086742 /nfs/dbraw/zinc/08/67/42/523086742.db2.gz PTBAXCAFBXMLIY-HXUWFJFHSA-N 0 0 440.500 1.229 50 0 IDAARN CCn1c(=O)cc(C(=O)Nc2cc(OC)ccc2OC)c2c(=O)n(CC)c(=O)n(C)c21 ZINC000035422334 523111701 /nfs/dbraw/zinc/11/17/01/523111701.db2.gz LVAFRJDGBDYJMA-UHFFFAOYSA-N 0 0 428.445 1.171 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1)C(=O)OC ZINC000020763067 523117655 /nfs/dbraw/zinc/11/76/55/523117655.db2.gz ZUWJYCHFZLPDJI-QFBILLFUSA-N 0 0 430.461 1.570 50 0 biogenic IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F)C(=O)OC ZINC000020724170 523117878 /nfs/dbraw/zinc/11/78/78/523117878.db2.gz DZFMOJLTSIXPFE-KBXCAEBGSA-N 0 0 436.415 1.840 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1F)C(=O)OC ZINC000020745884 523118185 /nfs/dbraw/zinc/11/81/85/523118185.db2.gz DSYUJWZJRZLQML-YJBOKZPZSA-N 0 0 436.415 1.840 50 0 IDAARN CCn1c(SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)nnc1-c1ccco1 ZINC000035351301 523222302 /nfs/dbraw/zinc/22/23/02/523222302.db2.gz QZIVVZJYFCCCEK-UHFFFAOYSA-N 0 0 432.550 1.417 50 0 IDAARN COC(=O)C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(OC)c(OC)c1 ZINC000022139682 523278153 /nfs/dbraw/zinc/27/81/53/523278153.db2.gz OUUVSKIRHAUECT-QGZVFWFLSA-N 0 0 429.473 1.970 50 0 IDAARN CO[C@@H](C(=O)N1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1)c1ccccc1 ZINC000015007861 523319313 /nfs/dbraw/zinc/31/93/13/523319313.db2.gz VXOLYFFGAZGCTI-HSZRJFAPSA-N 0 0 449.511 1.746 50 0 IDAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4F)CC3)c(=O)n(C)c2=O)cc1 ZINC000035446237 523342131 /nfs/dbraw/zinc/34/21/31/523342131.db2.gz SCWHXQBTIINYII-UHFFFAOYSA-N 0 0 439.447 1.041 50 0 IDAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)n(C)c2=O)cc1 ZINC000035446265 523343550 /nfs/dbraw/zinc/34/35/50/523343550.db2.gz WPVMAKSNJIOCEO-UHFFFAOYSA-N 0 0 439.447 1.041 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)cc1 ZINC000016955134 523354507 /nfs/dbraw/zinc/35/45/07/523354507.db2.gz XBFOBWPJRSFBML-UHFFFAOYSA-N 0 0 434.412 1.396 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(OC)cc2OC)c3=O)cc1 ZINC000016955131 523354614 /nfs/dbraw/zinc/35/46/14/523354614.db2.gz BTWAVJOBVDXXIS-UHFFFAOYSA-N 0 0 436.428 1.642 50 0 IDAARN COC(=O)Cc1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000012793113 523368097 /nfs/dbraw/zinc/36/80/97/523368097.db2.gz ZBGNOSGPSGBBTA-UHFFFAOYSA-N 0 0 435.498 1.881 50 0 IDAARN COc1ccc(/C=C/C(=O)NCCc2nnc(SCCN3CCOCC3)n2C)cc1 ZINC000020448758 523390403 /nfs/dbraw/zinc/39/04/03/523390403.db2.gz KBEKFUUTZYWBHV-VMPITWQZSA-N 0 0 431.562 1.620 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)N1C[C@@H](C)O[C@H](C)C1)c(=O)n2Cc1ccccc1 ZINC000012532380 523567161 /nfs/dbraw/zinc/56/71/61/523567161.db2.gz URWZBKXAXAMGTG-HZPDHXFCSA-N 0 0 425.489 1.064 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)NCCc1ccccc1 ZINC000035374196 523670949 /nfs/dbraw/zinc/67/09/49/523670949.db2.gz NNRKSZRBNCBNMP-UHFFFAOYSA-N 0 0 435.484 1.688 50 0 IDAARN COCCN(CCC(=O)N1CCN(C)CC1)C(=O)c1cc(-c2ccccc2OC)on1 ZINC000036001483 523691873 /nfs/dbraw/zinc/69/18/73/523691873.db2.gz LQDOUPQXJZSXRJ-UHFFFAOYSA-N 0 0 430.505 1.603 50 0 IDAARN COc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000035240672 523697287 /nfs/dbraw/zinc/69/72/87/523697287.db2.gz SNSNFORGKPEPJS-UHFFFAOYSA-N 0 0 433.530 1.440 50 0 IDAARN COCCN(CCOC)CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000022011444 523715789 /nfs/dbraw/zinc/71/57/89/523715789.db2.gz FFCDOKAWQHNTMH-UHFFFAOYSA-N 0 0 439.578 1.345 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3cccc(F)c3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021874480 523731251 /nfs/dbraw/zinc/73/12/51/523731251.db2.gz RRPKLDJSNGLCLR-QFIPXVFZSA-N 0 0 427.480 1.855 50 0 IDAARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1S(=O)(=O)N1CCCC1 ZINC000012851956 523772344 /nfs/dbraw/zinc/77/23/44/523772344.db2.gz UULPOEGXNKBFHK-ZDUSSCGKSA-N 0 0 437.474 1.960 50 0 IDAARN CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012892232 523809266 /nfs/dbraw/zinc/80/92/66/523809266.db2.gz PGFLKXBWOMFGJG-KRWDZBQOSA-N 0 0 428.576 1.439 50 0 IDAARN CN(C(=O)COC(=O)c1ccc(Cl)s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012932756 523829859 /nfs/dbraw/zinc/82/98/59/523829859.db2.gz PSWYMASMJLLLAM-UHFFFAOYSA-N 0 0 448.888 1.702 50 0 IDAARN CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000021184543 523842116 /nfs/dbraw/zinc/84/21/16/523842116.db2.gz LCYXABHTRWZJCU-ZDUSSCGKSA-N 0 0 444.966 1.785 50 0 IDAARN CN1CCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)CC1 ZINC000012882950 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ZINC000012620634 525024934 /nfs/dbraw/zinc/02/49/34/525024934.db2.gz IWEIDESOBOPOAD-IYBDPMFKSA-N 0 0 425.551 1.918 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000022228055 525026220 /nfs/dbraw/zinc/02/62/20/525026220.db2.gz IWEIDESOBOPOAD-HOTGVXAUSA-N 0 0 425.551 1.918 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000020548243 525031283 /nfs/dbraw/zinc/03/12/83/525031283.db2.gz BJTOWIKGLXDSPI-VXGBXAGGSA-N 0 0 435.887 1.873 50 0 IDAARN Cc1ccccc1-n1ccnc1SCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000022738790 525032240 /nfs/dbraw/zinc/03/22/40/525032240.db2.gz GDCIFVNJUTZQIA-KRWDZBQOSA-N 0 0 434.587 1.604 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000012849633 525034424 /nfs/dbraw/zinc/03/44/24/525034424.db2.gz HZCXVCSWUDMJHL-HXUWFJFHSA-N 0 0 447.513 1.410 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3n[nH]c(=O)c4ccccc43)cc2)C[C@@H](C)O1 ZINC000015916127 525051301 /nfs/dbraw/zinc/05/13/01/525051301.db2.gz MZZSFLRFQKNIMX-ZIAGYGMSSA-N 0 0 442.497 1.973 50 0 IDAARN COc1ccc(S(=O)(=O)NCCNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 ZINC000022971458 525057300 /nfs/dbraw/zinc/05/73/00/525057300.db2.gz ZXRPCFGSUQALEC-KRWDZBQOSA-N 0 0 439.559 1.606 50 0 IDAARN Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)cc1S(N)(=O)=O ZINC000021408693 525077026 /nfs/dbraw/zinc/07/70/26/525077026.db2.gz QIWIVEJRDZCQJG-UHFFFAOYSA-N 0 0 447.542 1.501 50 0 IDAARN Cc1cc(NC(=O)COc2coc(CN3CCN(C(=O)c4ccco4)CC3)cc2=O)no1 ZINC000022852818 525152021 /nfs/dbraw/zinc/15/20/21/525152021.db2.gz PZWKUGLREIIQAL-UHFFFAOYSA-N 0 0 442.428 1.505 50 0 IDAARN Cc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020511426 525162126 /nfs/dbraw/zinc/16/21/26/525162126.db2.gz GWBXHEGNJIKBSA-LJQANCHMSA-N 0 0 437.562 1.407 50 0 IDAARN Cc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020511428 525164097 /nfs/dbraw/zinc/16/40/97/525164097.db2.gz GWBXHEGNJIKBSA-IBGZPJMESA-N 0 0 437.562 1.407 50 0 IDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000020511095 525173315 /nfs/dbraw/zinc/17/33/15/525173315.db2.gz UNCBBGUXLQUIQA-AXMIXWAOSA-N 0 0 439.622 1.997 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)CC1 ZINC000020719138 525175250 /nfs/dbraw/zinc/17/52/50/525175250.db2.gz YEWPKAFVJPWDOO-UHFFFAOYSA-N 0 0 436.530 1.837 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)C1 ZINC000022132283 525202183 /nfs/dbraw/zinc/20/21/83/525202183.db2.gz DGNFQPUWYDAUAC-WOJBJXKFSA-N 0 0 439.604 1.949 50 0 IDAARN CS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012863816 525264673 /nfs/dbraw/zinc/26/46/73/525264673.db2.gz MXDOVNGTWHYGCZ-ZDUSSCGKSA-N 0 0 449.597 1.530 50 0 IDAARN COc1ccc([C@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000012567480 525354967 /nfs/dbraw/zinc/35/49/67/525354967.db2.gz AUCOLSWBEBZEOL-KRWDZBQOSA-N 0 0 434.452 1.845 50 0 IDAARN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)C1 ZINC000022790884 525374370 /nfs/dbraw/zinc/37/43/70/525374370.db2.gz DGNFQPUWYDAUAC-BGYRXZFFSA-N 0 0 439.604 1.949 50 0 IDAARN Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000012535235 525377937 /nfs/dbraw/zinc/37/79/37/525377937.db2.gz GMDDPZXFZRNDNK-RXVVDRJESA-N 0 0 434.496 1.909 50 0 IDAARN Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000012422807 525386696 /nfs/dbraw/zinc/38/66/96/525386696.db2.gz CJKQRBXHPGUOSC-UHFFFAOYSA-N 0 0 431.558 1.638 50 0 IDAARN COc1ccc([C@H]2NC3=NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000020556186 525427366 /nfs/dbraw/zinc/42/73/66/525427366.db2.gz UFEBVKXHLORHNB-QFIPXVFZSA-N 0 0 447.543 1.920 50 0 IDAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000012520622 525467255 /nfs/dbraw/zinc/46/72/55/525467255.db2.gz AFOLWARTKVCOPP-UHFFFAOYSA-N 0 0 443.467 1.696 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000012555845 525492867 /nfs/dbraw/zinc/49/28/67/525492867.db2.gz JQGJMSDVMHUHMR-UHFFFAOYSA-N 0 0 434.470 1.812 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1C ZINC000012821178 525494290 /nfs/dbraw/zinc/49/42/90/525494290.db2.gz VSGVMBHXMNVJQJ-NRFANRHFSA-N 0 0 444.513 1.422 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000012738457 525528637 /nfs/dbraw/zinc/52/86/37/525528637.db2.gz OVPQVBJXCRDQIR-HDICACEKSA-N 0 0 429.608 1.914 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)N3CCOCC3)c3ccccc3)CC2)s1 ZINC000016926403 525543700 /nfs/dbraw/zinc/54/37/00/525543700.db2.gz SMAIJCABRHKGQF-HXUWFJFHSA-N 0 0 449.598 1.963 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3cccc(C)c3)CC2)cc1 ZINC000022733117 525544094 /nfs/dbraw/zinc/54/40/94/525544094.db2.gz XYVSTHGZWRCFBU-UHFFFAOYSA-N 0 0 431.558 1.805 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000021604202 525558490 /nfs/dbraw/zinc/55/84/90/525558490.db2.gz PTECKZRNEFZCFY-UXLLHSPISA-N 0 0 426.535 1.274 50 0 IDAARN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)n1C ZINC000021154283 525583892 /nfs/dbraw/zinc/58/38/92/525583892.db2.gz JVDPIYWYPVJOQE-UHFFFAOYSA-N 0 0 435.502 1.322 50 0 IDAARN CSCC[C@H](NC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000012871079 525587668 /nfs/dbraw/zinc/58/76/68/525587668.db2.gz YPNGHVORCMSPKR-HKUYNNGSSA-N 0 0 446.573 1.599 50 0 biogenic IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)N1CCCc3ccccc31)OCC(=O)N2 ZINC000015822233 525611252 /nfs/dbraw/zinc/61/12/52/525611252.db2.gz LLTDYGJCWZWCCO-UHFFFAOYSA-N 0 0 429.498 1.926 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCC(C)CC3)C1)OCC(=O)N2 ZINC000035378795 525613277 /nfs/dbraw/zinc/61/32/77/525613277.db2.gz APHOFDUBPLSUHX-MRXNPFEDSA-N 0 0 435.546 1.985 50 0 IDAARN Cc1c(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000040089308 525615518 /nfs/dbraw/zinc/61/55/18/525615518.db2.gz DDEKVUUHMWEMOK-GHMZBOCLSA-N 0 0 426.564 1.785 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(C(=O)N3CCOCC3)c1)NC(=O)CO2 ZINC000012446846 525615565 /nfs/dbraw/zinc/61/55/65/525615565.db2.gz SKSZSLIZMWOSSJ-UHFFFAOYSA-N 0 0 431.470 1.599 50 0 IDAARN C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000012557897 525655040 /nfs/dbraw/zinc/65/50/40/525655040.db2.gz IZGFZIQAQLDBFV-HNNXBMFYSA-N 0 0 430.530 1.620 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1Cc1ccccc1 ZINC000020517584 525688543 /nfs/dbraw/zinc/68/85/43/525688543.db2.gz UDKOCSGQGNJVDJ-UHFFFAOYSA-N 0 0 436.516 1.147 50 0 IDAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)CN(S(C)(=O)=O)CC(=O)N1c1cccc(F)c1 ZINC000021528959 525802643 /nfs/dbraw/zinc/80/26/43/525802643.db2.gz NOHJGYSDMJAWOZ-FQEVSTJZSA-N 0 0 437.468 1.648 50 0 IDAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccccc1F ZINC000021528816 525803375 /nfs/dbraw/zinc/80/33/75/525803375.db2.gz HVUIBFUMXSDIEI-NRFANRHFSA-N 0 0 433.505 1.505 50 0 IDAARN Cc1ccsc1CCNC(=O)CCn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000021030111 525831193 /nfs/dbraw/zinc/83/11/93/525831193.db2.gz ONQKZQHEXZETBI-UHFFFAOYSA-N 0 0 440.591 1.640 50 0 IDAARN Cc1c(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000012745527 525833453 /nfs/dbraw/zinc/83/34/53/525833453.db2.gz JTQKMSWBWREBBW-UHFFFAOYSA-N 0 0 439.541 1.942 50 0 IDAARN C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc[nH]1 ZINC000012622613 525843488 /nfs/dbraw/zinc/84/34/88/525843488.db2.gz DPIHNOBLJUNDCM-VFZGTOFNSA-N 0 0 435.285 1.775 50 0 IDAARN C[C@H](OC(=O)CNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020883738 525884658 /nfs/dbraw/zinc/88/46/58/525884658.db2.gz DHAJOSCFOVHWHK-LBPRGKRZSA-N 0 0 445.453 1.067 50 0 IDAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)NC1CC1 ZINC000012912376 525885321 /nfs/dbraw/zinc/88/53/21/525885321.db2.gz WJKBVVBSBCKWGF-CYBMUJFWSA-N 0 0 438.502 1.069 50 0 IDAARN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000022357417 525885835 /nfs/dbraw/zinc/88/58/35/525885835.db2.gz PCSYJHPJXBMLFY-BXUZGUMPSA-N 0 0 441.893 1.376 50 0 IDAARN C[C@@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000017599051 525886048 /nfs/dbraw/zinc/88/60/48/525886048.db2.gz YRQNBVZTKRCCBF-OAHLLOKOSA-N 0 0 446.504 1.504 50 0 IDAARN C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000012767400 525886170 /nfs/dbraw/zinc/88/61/70/525886170.db2.gz UHEIRMRCKHGZAA-DARAHFNDSA-N 0 0 428.441 1.668 50 0 IDAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012757404 525888031 /nfs/dbraw/zinc/88/80/31/525888031.db2.gz JPPLEUNQOBSGGI-CQSZACIVSA-N 0 0 431.470 1.272 50 0 IDAARN C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000012870048 525896255 /nfs/dbraw/zinc/89/62/55/525896255.db2.gz HUUGPYLALJWEOY-SECBINFHSA-N 0 0 448.357 1.641 50 0 IDAARN Cc1ccc(-n2c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nnc2N2CCCC2)cc1 ZINC000012533410 525899495 /nfs/dbraw/zinc/89/94/95/525899495.db2.gz WSHSTOVTSQEVQS-HNNXBMFYSA-N 0 0 435.575 1.571 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)Cc2cccc3ccccc32)C1=O ZINC000012814889 525903690 /nfs/dbraw/zinc/90/36/90/525903690.db2.gz JVEJWEMSHKCPSH-DEOSSOPVSA-N 0 0 430.464 1.997 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786470 525924190 /nfs/dbraw/zinc/92/41/90/525924190.db2.gz IGMYQXZVOUOHJM-UHFFFAOYSA-N 0 0 433.512 1.819 50 0 IDAARN Cc1c2c(nn1-c1ccccc1)c(=O)n(CCC(=O)N1CCC3(CC1)OCCO3)nc2C ZINC000020563574 525936138 /nfs/dbraw/zinc/93/61/38/525936138.db2.gz IQHFOPJIJJPKNH-UHFFFAOYSA-N 0 0 437.500 1.955 50 0 biogenic IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1cc(C)cc(C)c1 ZINC000020533306 525944138 /nfs/dbraw/zinc/94/41/38/525944138.db2.gz JFKJHWHOHFTVDY-UHFFFAOYSA-N 0 0 436.516 1.396 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)c1 ZINC000035375582 525979184 /nfs/dbraw/zinc/97/91/84/525979184.db2.gz OEFUGWHMODTIKS-UHFFFAOYSA-N 0 0 433.512 1.895 50 0 IDAARN COc1cccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)c1 ZINC000021874275 526002449 /nfs/dbraw/zinc/00/24/49/526002449.db2.gz FMCCZAMKEIYVME-QHCPKHFHSA-N 0 0 439.516 1.725 50 0 IDAARN COc1cccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(C)C3=O)c1 ZINC000021874272 526004243 /nfs/dbraw/zinc/00/42/43/526004243.db2.gz FMCCZAMKEIYVME-HSZRJFAPSA-N 0 0 439.516 1.725 50 0 IDAARN COc1cccc(CO[C@@H]2CN(C(=O)CCn3cncn3)CC(=O)N(CC(C)C)C2)c1 ZINC000020997018 526056616 /nfs/dbraw/zinc/05/66/16/526056616.db2.gz FVTMVMHDNFWOSO-FQEVSTJZSA-N 0 0 429.521 1.589 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)o2)nn1C ZINC000012443096 526060022 /nfs/dbraw/zinc/06/00/22/526060022.db2.gz FGHSVZVOXIRITQ-UHFFFAOYSA-N 0 0 436.519 1.879 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)nn1C ZINC000012443141 526060168 /nfs/dbraw/zinc/06/01/68/526060168.db2.gz KLLNQGQIJCAQKS-LBPRGKRZSA-N 0 0 436.519 1.879 50 0 IDAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022239310 526081633 /nfs/dbraw/zinc/08/16/33/526081633.db2.gz JVDGIANBTLZBSZ-MRXNPFEDSA-N 0 0 442.491 1.815 50 0 IDAARN CSc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000021528365 526106262 /nfs/dbraw/zinc/10/62/62/526106262.db2.gz FEKRSNNZUZWTPZ-LJQANCHMSA-N 0 0 425.576 1.834 50 0 IDAARN COc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(F)cc2)c1 ZINC000021528925 526138286 /nfs/dbraw/zinc/13/82/86/526138286.db2.gz PEFQSQSSUIDQTC-OAQYLSRUSA-N 0 0 449.504 1.518 50 0 IDAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000035286807 526145296 /nfs/dbraw/zinc/14/52/96/526145296.db2.gz GQQBONDFOFRLKQ-MRXNPFEDSA-N 0 0 434.562 1.352 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)c1 ZINC000020738005 526160968 /nfs/dbraw/zinc/16/09/68/526160968.db2.gz ZXTPOQKBFJMAIR-KRWDZBQOSA-N 0 0 443.525 1.581 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2=O)c1 ZINC000012553008 526161034 /nfs/dbraw/zinc/16/10/34/526161034.db2.gz DCPPLPZBBMIHED-IBGZPJMESA-N 0 0 437.496 1.837 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2=O)c1 ZINC000020736864 526161784 /nfs/dbraw/zinc/16/17/84/526161784.db2.gz LPLYALSWLNGKJM-HNNXBMFYSA-N 0 0 449.554 1.643 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2=O)c1 ZINC000020736868 526163172 /nfs/dbraw/zinc/16/31/72/526163172.db2.gz LPLYALSWLNGKJM-OAHLLOKOSA-N 0 0 449.554 1.643 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)c1 ZINC000020738009 526163968 /nfs/dbraw/zinc/16/39/68/526163968.db2.gz ZXTPOQKBFJMAIR-QGZVFWFLSA-N 0 0 443.525 1.581 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000012577696 526166822 /nfs/dbraw/zinc/16/68/22/526166822.db2.gz PBWXVGSYCQIXHB-UHFFFAOYSA-N 0 0 434.294 1.924 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)c1cc(=O)n(C)c2c1c(=O)n(C)c(=O)n2C ZINC000035422434 526172665 /nfs/dbraw/zinc/17/26/65/526172665.db2.gz NMKKBZQFLPLHRD-UHFFFAOYSA-N 0 0 433.262 1.259 50 0 IDAARN CSc1nnnn1-c1cccc(NC(=O)NCc2cccnc2N2CCOCC2)c1 ZINC000040104997 526229671 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Cn1c(=O)c2c(SCC(=O)Nc3nccs3)nc(C3CCCC3)nc2n(C)c1=O ZINC000020604982 527024140 /nfs/dbraw/zinc/02/41/40/527024140.db2.gz ZOYJBCWYOAJRID-UHFFFAOYSA-N 0 0 432.531 1.872 50 0 IDAARN Cn1c(=O)c2c(SCCN3CCOCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O ZINC000020665131 527024202 /nfs/dbraw/zinc/02/42/02/527024202.db2.gz RTTCFYWXCUYDMP-UHFFFAOYSA-N 0 0 447.948 1.772 50 0 IDAARN Cn1c(=O)c2c(SCCN3CCOCC3)nc(Cc3ccccc3)nc2n(C)c1=O ZINC000020677598 527024983 /nfs/dbraw/zinc/02/49/83/527024983.db2.gz URASSTWLBZAMHT-UHFFFAOYSA-N 0 0 427.530 1.042 50 0 IDAARN Cn1c(CCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)nc2ccccc2c1=O ZINC000012933064 527047721 /nfs/dbraw/zinc/04/77/21/527047721.db2.gz YHBYBULMCJCQPA-UHFFFAOYSA-N 0 0 439.560 1.413 50 0 IDAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012407843 527062771 /nfs/dbraw/zinc/06/27/71/527062771.db2.gz HOLDZFZVJQAYEO-INIZCTEOSA-N 0 0 426.491 1.221 50 0 IDAARN O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1cccc(C(F)(F)F)c1 ZINC000012444059 527084021 /nfs/dbraw/zinc/08/40/21/527084021.db2.gz ASWJQHGFIAZSQH-UHFFFAOYSA-N 0 0 441.391 1.912 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)c2c(=O)n(C)c1=O ZINC000012556752 527125045 /nfs/dbraw/zinc/12/50/45/527125045.db2.gz QXJPWEVKHOHLMF-UHFFFAOYSA-N 0 0 444.904 1.773 50 0 IDAARN Cn1c2ncn(CCCC(=O)Nc3nnc(Cc4ccccc4)s3)c2c(=O)n(C)c1=O ZINC000021335933 527125331 /nfs/dbraw/zinc/12/53/31/527125331.db2.gz RIYSTNWJGBKJPD-UHFFFAOYSA-N 0 0 439.501 1.295 50 0 IDAARN O=CN[C@@H](N1CCN([C@H](NC=O)C(Cl)(Cl)Cl)CC1)C(Cl)(Cl)Cl ZINC000022458060 527141034 /nfs/dbraw/zinc/14/10/34/527141034.db2.gz RROQIUMZODEXOR-YUMQZZPRSA-N 0 0 434.966 1.489 50 0 in-vitro IDAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000021198085 527142582 /nfs/dbraw/zinc/14/25/82/527142582.db2.gz HPQNZDOBRHJZCZ-KRWDZBQOSA-N 0 0 428.470 1.886 50 0 IDAARN O=NN(CCN(CN1c2ccccc2C(=O)C1=O)N=O)CN1c2ccccc2C(=O)C1=O ZINC000012436575 527156800 /nfs/dbraw/zinc/15/68/00/527156800.db2.gz ATRUSZYAJHSOAE-UHFFFAOYSA-N 0 0 436.384 1.327 50 0 IDAARN O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000021149714 527276373 /nfs/dbraw/zinc/27/63/73/527276373.db2.gz QQEIKTMZCDPVIK-UHFFFAOYSA-N 0 0 438.435 1.586 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000021839805 527282621 /nfs/dbraw/zinc/28/26/21/527282621.db2.gz FHHHJAPFQCEULW-UHFFFAOYSA-N 0 0 438.506 1.891 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1C(N)=O ZINC000012908694 527283832 /nfs/dbraw/zinc/28/38/32/527283832.db2.gz PGMZEZSCGKJLIW-UHFFFAOYSA-N 0 0 428.873 1.063 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1C(N)=O ZINC000012596946 527284023 /nfs/dbraw/zinc/28/40/23/527284023.db2.gz SBBKXEWXWHTJLS-UHFFFAOYSA-N 0 0 441.513 1.061 50 0 IDAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023135160 527288716 /nfs/dbraw/zinc/28/87/16/527288716.db2.gz TVQIZWVEFDVHOT-UHFFFAOYSA-N 0 0 425.424 1.880 50 0 IDAARN NS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)ccc1Cl ZINC000012790460 527305055 /nfs/dbraw/zinc/30/50/55/527305055.db2.gz VFZORFMNWKWZAZ-KRWDZBQOSA-N 0 0 438.889 1.744 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1 ZINC000021159161 527310217 /nfs/dbraw/zinc/31/02/17/527310217.db2.gz BJACRHAWVRVRAV-MRXNPFEDSA-N 0 0 427.530 1.786 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012764531 527312118 /nfs/dbraw/zinc/31/21/18/527312118.db2.gz GKIGVOZGGZIIAG-UHFFFAOYSA-N 0 0 427.935 1.976 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 ZINC000012887640 527313974 /nfs/dbraw/zinc/31/39/74/527313974.db2.gz YEYVQCQRSAYFSN-UHFFFAOYSA-N 0 0 433.555 1.979 50 0 IDAARN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998144 527359136 /nfs/dbraw/zinc/35/91/36/527359136.db2.gz OPNIZWWBYVCNKJ-UHFFFAOYSA-N 0 0 449.510 1.545 50 0 IDAARN O=C(N1CCOCC1)N1CCN(CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)CC1 ZINC000012813150 527443778 /nfs/dbraw/zinc/44/37/78/527443778.db2.gz YCVSETIEBFQUCU-QHCPKHFHSA-N 0 0 441.532 1.187 50 0 IDAARN O=c1c2ccccc2nnn1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012630918 527466621 /nfs/dbraw/zinc/46/66/21/527466621.db2.gz HDUHKFHFHAFUEV-UHFFFAOYSA-N 0 0 435.509 1.909 50 0 IDAARN O=c1ccc(-c2ccc(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)s2)n[nH]1 ZINC000020985107 527483382 /nfs/dbraw/zinc/48/33/82/527483382.db2.gz MZAUMOWXCZWUNS-UHFFFAOYSA-N 0 0 445.570 1.599 50 0 IDAARN Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000012374495 527496918 /nfs/dbraw/zinc/49/69/18/527496918.db2.gz PNGDGHUKTBXEDB-HXUWFJFHSA-N 0 0 430.530 1.897 50 0 IDAARN O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000044891447 527537635 /nfs/dbraw/zinc/53/76/35/527537635.db2.gz NKPZWJMVXKFCLE-JKSUJKDBSA-N 0 0 431.518 1.981 50 0 IDAARN Nc1nc(COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)nc2ccccc12 ZINC000012554801 527552739 /nfs/dbraw/zinc/55/27/39/527552739.db2.gz MMVYYPIGBOYNRA-UHFFFAOYSA-N 0 0 425.470 1.774 50 0 IDAARN Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)NCCc1ccccc1 ZINC000015936320 527563609 /nfs/dbraw/zinc/56/36/09/527563609.db2.gz DGCSBKSNSDBELO-UHFFFAOYSA-N 0 0 427.324 1.454 50 0 IDAARN Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1 ZINC000020816397 527577591 /nfs/dbraw/zinc/57/75/91/527577591.db2.gz NKHGGCGQDKHJSL-UHFFFAOYSA-N 0 0 449.583 1.899 50 0 IDAARN Cn1ncc2c3ccccc3n(CCCC(=O)N3CCN(c4ncccn4)CC3)c2c1=O ZINC000035372271 527589323 /nfs/dbraw/zinc/58/93/23/527589323.db2.gz JWBVNKFRLDDWOI-UHFFFAOYSA-N 0 0 431.500 1.807 50 0 IDAARN O=C(NCCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccccc1 ZINC000012857312 527615446 /nfs/dbraw/zinc/61/54/46/527615446.db2.gz ZDWVPAHSOPLEEP-HXUWFJFHSA-N 0 0 438.484 1.709 50 0 IDAARN O=C(NCCCN1CCCC1=O)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000033063462 527663992 /nfs/dbraw/zinc/66/39/92/527663992.db2.gz IRPBJGMOEHRBGR-FQEVSTJZSA-N 0 0 428.514 1.832 50 0 IDAARN O=C(NCCCN1CCOCC1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000021000391 527671804 /nfs/dbraw/zinc/67/18/04/527671804.db2.gz BLLNJHYLWFXZMD-SFHVURJKSA-N 0 0 432.546 1.362 50 0 IDAARN CCCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011796849 535583127 /nfs/dbraw/zinc/58/31/27/535583127.db2.gz CSXAOOLINRPZHQ-UHFFFAOYSA-N 0 0 427.480 1.550 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)cc2)n(C)c1=O ZINC000008778504 535762749 /nfs/dbraw/zinc/76/27/49/535762749.db2.gz LGJMDZIMWOESRL-CYBMUJFWSA-N 0 0 427.461 1.256 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000009464433 536112392 /nfs/dbraw/zinc/11/23/92/536112392.db2.gz ZONVXCJFJVDCJS-UHFFFAOYSA-N 0 0 429.502 1.902 50 0 IDAARN CNC(=O)[C@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c2ccccc2O1 ZINC000009220427 536398526 /nfs/dbraw/zinc/39/85/26/536398526.db2.gz XKGCRTVXQGLLHY-OAHLLOKOSA-N 0 0 436.390 1.172 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c2c(nc1N1CCCCCC1)n(C)c(=O)n(C)c2=O ZINC000000625693 555512415 /nfs/dbraw/zinc/51/24/15/555512415.db2.gz YHIODPIESCGSSD-KRWDZBQOSA-N 0 0 441.532 1.562 50 0 IDAARN CCc1ccc(OC[C@@H](O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000626149 555512929 /nfs/dbraw/zinc/51/29/29/555512929.db2.gz SLRLCVJJVUFMSH-LBPRGKRZSA-N 0 0 437.294 1.199 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 ZINC000000660020 555526341 /nfs/dbraw/zinc/52/63/41/555526341.db2.gz JYIPTUZFIYWGCV-HDIOYNLWSA-N 0 0 429.381 1.071 50 0 IDAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000000705004 555544671 /nfs/dbraw/zinc/54/46/71/555544671.db2.gz SPXDXUUUBFGVIB-LJQANCHMSA-N 0 0 433.461 1.124 50 0 IDAARN COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000784355 555556175 /nfs/dbraw/zinc/55/61/75/555556175.db2.gz NQSHHFACCHEDOF-UHFFFAOYSA-N 0 0 431.514 1.614 50 0 IDAARN Cc1nc(S[C@H](C)C(=O)NC[C@H]2CCCO2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000010525618 555562101 /nfs/dbraw/zinc/56/21/01/555562101.db2.gz OUIVYXKZHYXDQE-TZMCWYRMSA-N 0 0 435.550 1.230 50 0 IDAARN CCc1ccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000824786 555564744 /nfs/dbraw/zinc/56/47/44/555564744.db2.gz SLMSZMQIKMGPNI-MRXNPFEDSA-N 0 0 427.505 1.416 50 0 IDAARN CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000000824783 555564784 /nfs/dbraw/zinc/56/47/84/555564784.db2.gz KFRDKTVPPITICP-SNVBAGLBSA-N 0 0 428.276 1.602 50 0 biogenic IDAARN CC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C ZINC000000863235 555573198 /nfs/dbraw/zinc/57/31/98/555573198.db2.gz PWAQTSKRUIMQHF-ZIAGYGMSSA-N 0 0 432.502 1.241 50 0 IDAARN CC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C ZINC000000863234 555573255 /nfs/dbraw/zinc/57/32/55/555573255.db2.gz PWAQTSKRUIMQHF-KBPBESRZSA-N 0 0 432.502 1.241 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 ZINC000000900030 555580838 /nfs/dbraw/zinc/58/08/38/555580838.db2.gz FKIFQIAMPRWSML-UHFFFAOYSA-N 0 0 431.514 1.865 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC ZINC000000900066 555580909 /nfs/dbraw/zinc/58/09/09/555580909.db2.gz WVFBUWIZDNDBDI-UHFFFAOYSA-N 0 0 447.513 1.809 50 0 IDAARN COc1ccc(NC(=O)COC(=O)/C=C/C(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000009579988 555590933 /nfs/dbraw/zinc/59/09/33/555590933.db2.gz RASHCFUVFXGHKJ-VAWYXSNFSA-N 0 0 442.424 1.924 50 0 IDAARN CN(c1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000000983090 555593979 /nfs/dbraw/zinc/59/39/79/555593979.db2.gz WXNCCTKCSWOGRN-UHFFFAOYSA-N 0 0 429.495 1.626 50 0 IDAARN C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009612745 555601341 /nfs/dbraw/zinc/60/13/41/555601341.db2.gz SELZGYNAWXYKMM-MQQKCMAXSA-N 0 0 428.894 1.975 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000001034147 555607440 /nfs/dbraw/zinc/60/74/40/555607440.db2.gz IRUOKGRHJREQQH-HXUWFJFHSA-N 0 0 445.497 1.318 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000001049257 555612440 /nfs/dbraw/zinc/61/24/40/555612440.db2.gz FFIDXVHIKINFFD-OAHLLOKOSA-N 0 0 443.481 1.379 50 0 IDAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc2c(c1)OCO2 ZINC000001062090 555616633 /nfs/dbraw/zinc/61/66/33/555616633.db2.gz CASMOSOILRWYCV-UHFFFAOYSA-N 0 0 434.470 1.131 50 0 IDAARN Cn1c2[nH]c(-c3ccc(OCC(=O)NCCc4ccccc4)cc3)nc2c(=O)n(C)c1=O ZINC000001070635 555621149 /nfs/dbraw/zinc/62/11/49/555621149.db2.gz LILCYRREISQMAB-UHFFFAOYSA-N 0 0 433.468 1.365 50 0 IDAARN CC(=O)Nc1ccc(OC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 ZINC000001109707 555630759 /nfs/dbraw/zinc/63/07/59/555630759.db2.gz RRGWYJLNLPOGGR-SFHVURJKSA-N 0 0 444.465 1.650 50 0 IDAARN CC(C)(C)OC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000010534233 555693726 /nfs/dbraw/zinc/69/37/26/555693726.db2.gz IXFCQRXKFXSLRL-UHFFFAOYSA-N 0 0 441.502 1.743 50 0 IDAARN COCCN(C[C@@H]1CN(C[C@H](O)COc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000034671083 555793096 /nfs/dbraw/zinc/79/30/96/555793096.db2.gz DDLMOUYHLTUOLJ-GMAHTHKFSA-N 0 0 428.529 1.916 50 0 IDAARN CN1CCN(c2nc3c(c(N4CCOCC4)n2)CN(C(=O)c2ccccc2F)CC3)CC1 ZINC000034676708 555794678 /nfs/dbraw/zinc/79/46/78/555794678.db2.gz HOUBHPDCADPORE-UHFFFAOYSA-N 0 0 440.523 1.403 50 0 IDAARN CC(C)COC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677363 555795843 /nfs/dbraw/zinc/79/58/43/555795843.db2.gz IXVWJMUWHZRHPG-FQEVSTJZSA-N 0 0 448.539 1.895 50 0 IDAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1 ZINC000034691681 555804549 /nfs/dbraw/zinc/80/45/49/555804549.db2.gz XYPJILJVIKGDKZ-YADHBBJMSA-N 0 0 435.540 1.072 50 0 IDAARN CC(C)CN(C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(F)c1 ZINC000034691537 555804707 /nfs/dbraw/zinc/80/47/07/555804707.db2.gz VCYVURNTRAITMQ-YADHBBJMSA-N 0 0 437.556 1.318 50 0 IDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002777078 555818486 /nfs/dbraw/zinc/81/84/86/555818486.db2.gz PCMOOVFYSGKIJU-DMVFFGLYSA-N 0 0 438.509 1.459 50 0 IDAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccccc1 ZINC000002816165 555828715 /nfs/dbraw/zinc/82/87/15/555828715.db2.gz OFTPWWYRWBMQEG-HQMFNGAOSA-N 0 0 445.500 1.755 50 0 IDAARN CSc1nc2nc(C)c(CC(=O)NCc3cccc(NS(C)(=O)=O)c3)c(C)n2n1 ZINC000010548831 555889702 /nfs/dbraw/zinc/88/97/02/555889702.db2.gz TUPXGLLZMULATK-UHFFFAOYSA-N 0 0 434.547 1.693 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000003613001 555941111 /nfs/dbraw/zinc/94/11/11/555941111.db2.gz JGTIFUXZSKORNG-INIZCTEOSA-N 0 0 448.423 1.881 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1F)c1ccncc1 ZINC000003641205 555943330 /nfs/dbraw/zinc/94/33/30/555943330.db2.gz DBWVYOSUWLNSEB-SFHVURJKSA-N 0 0 449.320 1.200 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000004199875 555976007 /nfs/dbraw/zinc/97/60/07/555976007.db2.gz OAXFTRFKKZNKHH-UHFFFAOYSA-N 0 0 426.516 1.541 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 ZINC000004419053 555993940 /nfs/dbraw/zinc/99/39/40/555993940.db2.gz 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449.533 1.154 50 0 IDAARN COCCN(C(=O)CSCc1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032994528 556609537 /nfs/dbraw/zinc/60/95/37/556609537.db2.gz VRTSGGJDVHMBAA-UHFFFAOYSA-N 0 0 434.562 1.996 50 0 IDAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(C)n2)c1C(=O)N1CCCC1 ZINC000032996375 556611800 /nfs/dbraw/zinc/61/18/00/556611800.db2.gz UYNPFIDMOBERCJ-UHFFFAOYSA-N 0 0 433.534 1.878 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C ZINC000038541700 556613640 /nfs/dbraw/zinc/61/36/40/556613640.db2.gz HKLSQIRDZDKBNZ-UHFFFAOYSA-N 0 0 431.562 1.749 50 0 IDAARN O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016527290 556614404 /nfs/dbraw/zinc/61/44/04/556614404.db2.gz HRBGCZIJNXGPCK-UHFFFAOYSA-N 0 0 429.970 1.579 50 0 IDAARN O=C1CCCN1c1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000247903608 556617181 /nfs/dbraw/zinc/61/71/81/556617181.db2.gz LDELONGIPLCKHV-DLBZAZTESA-N 0 0 442.559 1.170 50 0 IDAARN COc1ccccc1NC(=O)Cc1noc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000016695309 556628547 /nfs/dbraw/zinc/62/85/47/556628547.db2.gz JQKAOBZHEZYVKC-KRWDZBQOSA-N 0 0 429.477 1.083 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000039945497 556630496 /nfs/dbraw/zinc/63/04/96/556630496.db2.gz XDMACMMTPGFUCZ-LUYSREMJSA-N 0 0 438.429 1.286 50 0 IDAARN CC(C)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)NCCc1ccco1 ZINC000409413289 556640747 /nfs/dbraw/zinc/64/07/47/556640747.db2.gz WFWNXNCXCDXIDE-LLGFUMIMSA-N 0 0 426.517 1.954 50 0 IDAARN O=C(CNC(=O)c1ccc(Br)o1)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000016830539 556645350 /nfs/dbraw/zinc/64/53/50/556645350.db2.gz YVQVPLRNYVNSGX-HNNXBMFYSA-N 0 0 436.306 1.962 50 0 IDAARN O=C(c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000016963398 556651524 /nfs/dbraw/zinc/65/15/24/556651524.db2.gz MASHOHMNEWRNPY-HNNXBMFYSA-N 0 0 445.518 1.856 50 0 IDAARN CCOc1ccccc1NC(=O)CSc1nc(CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000011758068 556652013 /nfs/dbraw/zinc/65/20/13/556652013.db2.gz WDFQHDDCSAKLAH-UHFFFAOYSA-N 0 0 429.502 1.719 50 0 IDAARN CCc1nc(SCC(=O)Nc2ccc(OC)cc2OC)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758070 556652021 /nfs/dbraw/zinc/65/20/21/556652021.db2.gz SNWMWLNTVGFLSQ-UHFFFAOYSA-N 0 0 445.501 1.338 50 0 IDAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017052294 556654392 /nfs/dbraw/zinc/65/43/92/556654392.db2.gz CXHOTZDXOWKVBL-IBGZPJMESA-N 0 0 427.526 1.568 50 0 IDAARN COCCCn1c(C(=O)Nc2ccccc2C(=O)OC)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845188 556660812 /nfs/dbraw/zinc/66/08/12/556660812.db2.gz ZRNCNVLBZQRAIP-UHFFFAOYSA-N 0 0 428.445 1.114 50 0 IDAARN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 ZINC000011858251 556663640 /nfs/dbraw/zinc/66/36/40/556663640.db2.gz LOYLQDITCXWHBF-GFCCVEGCSA-N 0 0 437.499 1.758 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000017098983 556664051 /nfs/dbraw/zinc/66/40/51/556664051.db2.gz YHRPWMBGGGIXTB-UHFFFAOYSA-N 0 0 434.543 1.658 50 0 IDAARN CCN(CCc1ccncc1)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C ZINC000011859332 556664061 /nfs/dbraw/zinc/66/40/61/556664061.db2.gz GPBUGDAWSULKMF-UHFFFAOYSA-N 0 0 437.543 1.710 50 0 IDAARN CCn1nccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OC)=C(C)N=2 ZINC000017102239 556666594 /nfs/dbraw/zinc/66/65/94/556666594.db2.gz QMGOVDDJWPAEOB-XYSGSMRZSA-N 0 0 438.509 1.633 50 0 IDAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC ZINC000011906107 556671303 /nfs/dbraw/zinc/67/13/03/556671303.db2.gz SSVKGDASBYLZSI-UHFFFAOYSA-N 0 0 438.527 1.973 50 0 IDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccc(F)cc1 ZINC000011906113 556671325 /nfs/dbraw/zinc/67/13/25/556671325.db2.gz RPCCCCDJCLHWCL-UHFFFAOYSA-N 0 0 442.490 1.422 50 0 IDAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)CC2)c1 ZINC000011907000 556671857 /nfs/dbraw/zinc/67/18/57/556671857.db2.gz XLOVRKBWYMQSMP-UHFFFAOYSA-N 0 0 449.554 1.572 50 0 IDAARN CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 ZINC000044857534 556673184 /nfs/dbraw/zinc/67/31/84/556673184.db2.gz FELGNOOJSGQIPV-UHFFFAOYSA-N 0 0 431.971 1.259 50 0 IDAARN O=C(CCCN1C(=O)CCC1=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000032932262 556675334 /nfs/dbraw/zinc/67/53/34/556675334.db2.gz WNPDHFXUIGYJCL-UHFFFAOYSA-N 0 0 433.530 1.680 50 0 IDAARN Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000011927524 556675729 /nfs/dbraw/zinc/67/57/29/556675729.db2.gz NDZMRUJGQZVUIC-UHFFFAOYSA-N 0 0 431.924 1.666 50 0 IDAARN CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)N(C)C ZINC000032933043 556676445 /nfs/dbraw/zinc/67/64/45/556676445.db2.gz SKSQZPSETQUBPE-WMZOPIPTSA-N 0 0 425.551 1.377 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCCC[C@@H]3CNC(=O)OC(C)(C)C)cc2n(C)c1=O ZINC000060321494 556676511 /nfs/dbraw/zinc/67/65/11/556676511.db2.gz GBWJJDACBQQVGU-CQSZACIVSA-N 0 0 438.550 1.945 50 0 IDAARN CS(=O)(=O)N1CCCc2cc(C(=O)NC3CCN(CC(=O)N4CCCC4)CC3)ccc21 ZINC000032934776 556677576 /nfs/dbraw/zinc/67/75/76/556677576.db2.gz BNBSDXKDUJLNOK-UHFFFAOYSA-N 0 0 448.589 1.215 50 0 IDAARN C[C@@H](OC(=O)CCOc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000010623181 556681509 /nfs/dbraw/zinc/68/15/09/556681509.db2.gz LJWRTDVEMUBLKA-GOSISDBHSA-N 0 0 446.525 1.920 50 0 IDAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1cccnc1 ZINC000044921568 556682060 /nfs/dbraw/zinc/68/20/60/556682060.db2.gz XULKJTZVVHYZOW-UHFFFAOYSA-N 0 0 438.919 1.935 50 0 IDAARN CC(=O)N[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccccc1 ZINC000010629649 556682988 /nfs/dbraw/zinc/68/29/88/556682988.db2.gz UUEQFWXXLQTAOC-GOSISDBHSA-N 0 0 447.513 1.619 50 0 IDAARN NC(=O)COC1CN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)C1 ZINC000072312282 556687061 /nfs/dbraw/zinc/68/70/61/556687061.db2.gz IVCXDZWKPFWYSY-UHFFFAOYSA-N 0 0 445.570 1.943 50 0 IDAARN C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000249699170 556688437 /nfs/dbraw/zinc/68/84/37/556688437.db2.gz WSRCNHNFYBLVAN-WMHQRMGPSA-N 0 0 430.457 1.892 50 0 IDAARN CS(=O)(=O)c1ccc(N2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1 ZINC000018271318 556688847 /nfs/dbraw/zinc/68/88/47/556688847.db2.gz ZJKGNBOVMLXPQQ-FQEVSTJZSA-N 0 0 427.526 1.540 50 0 IDAARN CCCOc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000032937379 556689676 /nfs/dbraw/zinc/68/96/76/556689676.db2.gz KINQCEQJTSFTGO-UHFFFAOYSA-N 0 0 449.529 1.989 50 0 IDAARN COc1cccc(CN(CCS(=O)(=O)N2CCNCC2)C(=O)c2ccccc2OC)c1 ZINC000046140914 556691769 /nfs/dbraw/zinc/69/17/69/556691769.db2.gz FGUHHFUNIWUASM-UHFFFAOYSA-N 0 0 447.557 1.581 50 0 IDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252677671 556694128 /nfs/dbraw/zinc/69/41/28/556694128.db2.gz ZNAPBURAUTYNFM-IBGZPJMESA-N 0 0 440.500 1.979 50 0 IDAARN COCCn1nnc2cc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c3ccccc3)ccc21 ZINC000033024037 556694412 /nfs/dbraw/zinc/69/44/12/556694412.db2.gz MDMRIBASIWVRFM-HNNXBMFYSA-N 0 0 431.518 1.576 50 0 IDAARN CCN(C(=O)[C@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000024224322 556694534 /nfs/dbraw/zinc/69/45/34/556694534.db2.gz RZIDMFHIHFURHG-GOEBONIOSA-N 0 0 439.530 1.746 50 0 IDAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccccn1 ZINC000013550518 556696779 /nfs/dbraw/zinc/69/67/79/556696779.db2.gz VOLJLRKDTUYZSR-OAHLLOKOSA-N 0 0 448.520 1.443 50 0 IDAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCN(C(=O)NC)C1 ZINC000065292104 556707129 /nfs/dbraw/zinc/70/71/29/556707129.db2.gz XUNHMTJVRLRQFC-GOSISDBHSA-N 0 0 432.949 1.979 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1[C@H](C)c1ccccc1 ZINC000019201030 556707825 /nfs/dbraw/zinc/70/78/25/556707825.db2.gz AKUKBCRVANJCDG-QGZVFWFLSA-N 0 0 436.516 1.399 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019211263 556709165 /nfs/dbraw/zinc/70/91/65/556709165.db2.gz IUZXCUXOFJSOJE-UHFFFAOYSA-N 0 0 445.541 1.689 50 0 IDAARN O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000061719162 556726105 /nfs/dbraw/zinc/72/61/05/556726105.db2.gz AYUSNURLLSIJMS-QTWIXLPOSA-N 0 0 444.557 1.010 50 0 IDAARN Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1N ZINC000019242196 556726919 /nfs/dbraw/zinc/72/69/19/556726919.db2.gz SNWNBMBZFQRATJ-UHFFFAOYSA-N 0 0 431.514 1.408 50 0 IDAARN CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 ZINC000033040289 556731933 /nfs/dbraw/zinc/73/19/33/556731933.db2.gz IPMHZZSVFVTZJV-OAHLLOKOSA-N 0 0 426.539 1.830 50 0 IDAARN COCCOC1CCN(C(=O)C[C@@H]2C(=O)NCCN2C/C=C/c2ccccc2OC)CC1 ZINC000055131667 556735662 /nfs/dbraw/zinc/73/56/62/556735662.db2.gz MQMPXGCRKUSVMD-GZNAHNRGSA-N 0 0 445.560 1.553 50 0 IDAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCc1cnn(C)c1 ZINC000055153030 556736235 /nfs/dbraw/zinc/73/62/35/556736235.db2.gz BDGVHYADAFEPMH-IEJURRBGSA-N 0 0 425.533 1.334 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)sc2c1 ZINC000013793175 556736669 /nfs/dbraw/zinc/73/66/69/556736669.db2.gz UEHHRWWIPQADRF-ZDUSSCGKSA-N 0 0 446.576 1.299 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033047794 556743148 /nfs/dbraw/zinc/74/31/48/556743148.db2.gz ARXRPRBRWWIVRX-HNNXBMFYSA-N 0 0 427.500 1.834 50 0 IDAARN CSCC[C@H]1NC(=O)c2cc(NC(=O)c3ccc(-n4cnnn4)cc3)ccc2NC1=O ZINC000206241004 556749481 /nfs/dbraw/zinc/74/94/81/556749481.db2.gz AXAHJPXJIPISEN-QGZVFWFLSA-N 0 0 437.485 1.718 50 0 IDAARN COc1ccccc1CCN1C(=O)N[C@H](CC(=O)NCCn2cnc3ccccc32)C1=O ZINC000206256844 556749744 /nfs/dbraw/zinc/74/97/44/556749744.db2.gz PFYMZAKZRUBJJH-GOSISDBHSA-N 0 0 435.484 1.714 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(-n2ccnc2C)c1 ZINC000057996065 556751606 /nfs/dbraw/zinc/75/16/06/556751606.db2.gz MTRKYYQFTDOGKF-HXUWFJFHSA-N 0 0 439.541 1.969 50 0 IDAARN C[C@H]1CC(C)(C)N1C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000058015416 556754000 /nfs/dbraw/zinc/75/40/00/556754000.db2.gz SSJDZPBYDDGCDU-HNNXBMFYSA-N 0 0 434.562 1.926 50 0 IDAARN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccccc3NC(=O)Cn3cnnn3)cn2)n1 ZINC000058049418 556755365 /nfs/dbraw/zinc/75/53/65/556755365.db2.gz QZOMRCHJDBVLJY-UHFFFAOYSA-N 0 0 431.460 1.439 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cn4cccnc4n3)CC2)cc1 ZINC000058086145 556756994 /nfs/dbraw/zinc/75/69/94/556756994.db2.gz DCKTVYIRNHFTPQ-UHFFFAOYSA-N 0 0 443.485 1.053 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)C1 ZINC000058086363 556757404 /nfs/dbraw/zinc/75/74/04/556757404.db2.gz CODWTFBQTDTKEO-HZPDHXFCSA-N 0 0 425.555 1.661 50 0 IDAARN CCOC(=O)[C@H](CNS(=O)(=O)c1cc(NC(C)=O)ccc1OC)Cc1cccnc1 ZINC000058154182 556762185 /nfs/dbraw/zinc/76/21/85/556762185.db2.gz VMXBRJRFYBRVNS-INIZCTEOSA-N 0 0 435.502 1.749 50 0 IDAARN Cc1nonc1CN1CCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000058158305 556763245 /nfs/dbraw/zinc/76/32/45/556763245.db2.gz VJCBMBGMTCAQPT-LBPRGKRZSA-N 0 0 440.426 1.056 50 0 IDAARN COc1ccc(CCNC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)cc1OC ZINC000062001620 556764457 /nfs/dbraw/zinc/76/44/57/556764457.db2.gz XSYREURPVDEGTC-UHFFFAOYSA-N 0 0 427.457 1.790 50 0 biogenic IDAARN CN1C(=O)c2ccc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cc2C1=O ZINC000058161482 556765530 /nfs/dbraw/zinc/76/55/30/556765530.db2.gz FAJSGDYKOVCDGF-UHFFFAOYSA-N 0 0 428.470 1.426 50 0 IDAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCC(N2CCNC2=O)CC1 ZINC000058200890 556770753 /nfs/dbraw/zinc/77/07/53/556770753.db2.gz FNPRZBLNRVTVIN-IBGZPJMESA-N 0 0 435.956 1.913 50 0 IDAARN Cn1nnnc1-c1cccc(NC(=O)NCCS(=O)(=O)N2CCc3ccccc32)c1 ZINC000058217100 556772605 /nfs/dbraw/zinc/77/26/05/556772605.db2.gz QVJZEIFFYXNPKQ-UHFFFAOYSA-N 0 0 427.490 1.391 50 0 IDAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCN(S(C)(=O)=O)CC3)c2)c1C ZINC000058248311 556775815 /nfs/dbraw/zinc/77/58/15/556775815.db2.gz BGTQOTFCWXMWHH-UHFFFAOYSA-N 0 0 435.506 1.467 50 0 IDAARN CCn1cnnc1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C ZINC000058264918 556776289 /nfs/dbraw/zinc/77/62/89/556776289.db2.gz VWENKUYUHMIIIQ-SFHVURJKSA-N 0 0 437.522 1.079 50 0 IDAARN COc1ccc(CCN2C[C@@H](C(=O)N[C@H](C)c3nnc4n3CCC4)CC2=O)cc1OC ZINC000058329537 556781249 /nfs/dbraw/zinc/78/12/49/556781249.db2.gz RTRBNMNTYDMHQH-ZBFHGGJFSA-N 0 0 427.505 1.510 50 0 IDAARN CCCCn1c2nc(CN3CCC[C@@H](c4ccnc(COC)n4)C3)n(C)c2c(=O)[nH]c1=O ZINC000058332525 556781536 /nfs/dbraw/zinc/78/15/36/556781536.db2.gz PKXWFHCCICXCOP-OAHLLOKOSA-N 0 0 441.536 1.539 50 0 IDAARN CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Br)CC2)CC1 ZINC000059385336 556799257 /nfs/dbraw/zinc/79/92/57/556799257.db2.gz XPNBPWILOOGPCM-UHFFFAOYSA-N 0 0 435.363 1.198 50 0 IDAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)C4CC4)CC3)C2=O)cc1 ZINC000059405494 556799662 /nfs/dbraw/zinc/79/96/62/556799662.db2.gz PYCKJUJWKZZJLD-XMMPIXPASA-N 0 0 440.544 1.832 50 0 IDAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCC(=O)OC)cc2)cc1 ZINC000003230015 556805980 /nfs/dbraw/zinc/80/59/80/556805980.db2.gz OFXRUXKBSJUPCP-UHFFFAOYSA-N 0 0 436.486 1.578 50 0 IDAARN COc1ccc(CC(=O)N(CC(F)(F)F)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000060034197 556806066 /nfs/dbraw/zinc/80/60/66/556806066.db2.gz 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439.563 1.028 50 0 IDAARN O=C1C[C@H](N2CCN([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)C(=O)N1c1ccccc1 ZINC000100393910 557259584 /nfs/dbraw/zinc/25/95/84/557259584.db2.gz JMZMOIGUGYEDAE-PMACEKPBSA-N 0 0 432.480 1.268 50 0 IDAARN CCOC(=O)C1CCN(c2c(=O)c(=O)c2NCCN2CCN(c3ccccc3)CC2)CC1 ZINC000101258454 557265052 /nfs/dbraw/zinc/26/50/52/557265052.db2.gz SLJCVEBAGGLWGP-UHFFFAOYSA-N 0 0 440.544 1.296 50 0 IDAARN CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@H]1c1ccco1 ZINC000027670737 557270972 /nfs/dbraw/zinc/27/09/72/557270972.db2.gz TXRVYMOWGFLAMX-INIZCTEOSA-N 0 0 431.426 1.295 50 0 IDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000101413322 557284361 /nfs/dbraw/zinc/28/43/61/557284361.db2.gz WTDGQQPUGRYXCQ-KRWDZBQOSA-N 0 0 428.470 1.955 50 0 IDAARN Cc1ccc(CNC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCOCC3)CC2)cc1 ZINC000101624591 557292706 /nfs/dbraw/zinc/29/27/06/557292706.db2.gz IBDDNQWSLXFQLH-UHFFFAOYSA-N 0 0 425.529 1.962 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000101671510 557293391 /nfs/dbraw/zinc/29/33/91/557293391.db2.gz ZPBBBYDTFPDTKS-KKXDTOCCSA-N 0 0 427.457 1.857 50 0 IDAARN C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)NC1CCCCC1 ZINC000005702646 557293582 /nfs/dbraw/zinc/29/35/82/557293582.db2.gz OPRKPZMYGQMERM-HNNXBMFYSA-N 0 0 426.608 1.947 50 0 IDAARN CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1=O ZINC000101665949 557293922 /nfs/dbraw/zinc/29/39/22/557293922.db2.gz KLFSVEPCDFFRNW-MRXNPFEDSA-N 0 0 444.875 1.905 50 0 IDAARN O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NC[C@H]1CCCO1 ZINC000013115667 557296299 /nfs/dbraw/zinc/29/62/99/557296299.db2.gz OICNNECYDNFYIU-CYBMUJFWSA-N 0 0 441.531 1.236 50 0 IDAARN CCCCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014075828 557299171 /nfs/dbraw/zinc/29/91/71/557299171.db2.gz JGDNJLIFUUNFDV-UHFFFAOYSA-N 0 0 436.534 1.625 50 0 IDAARN Cc1ccccc1-n1nnnc1SCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000014084559 557300012 /nfs/dbraw/zinc/30/00/12/557300012.db2.gz DPPZMBOWMOXGHV-UHFFFAOYSA-N 0 0 429.506 1.044 50 0 IDAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(=O)[nH]c1=O ZINC000101835675 557302150 /nfs/dbraw/zinc/30/21/50/557302150.db2.gz JXTJPECKAFHPAL-HUUCEWRRSA-N 0 0 447.536 1.083 50 0 IDAARN CN(C)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1Cl ZINC000102123175 557312866 /nfs/dbraw/zinc/31/28/66/557312866.db2.gz QWSHVPZLTBYEKU-OKILXGFUSA-N 0 0 439.921 1.870 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1C ZINC000102129485 557313074 /nfs/dbraw/zinc/31/30/74/557313074.db2.gz PEIJFJBVRAJPFY-KFWWJZLASA-N 0 0 430.457 1.874 50 0 IDAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)n1 ZINC000102129295 557313142 /nfs/dbraw/zinc/31/31/42/557313142.db2.gz RMTTWKSDGGLKPL-GASCZTMLSA-N 0 0 436.472 1.890 50 0 IDAARN NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000032759991 557315346 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434.499 1.749 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000014239925 557328840 /nfs/dbraw/zinc/32/88/40/557328840.db2.gz SCLAKXDABGWGKJ-UHFFFAOYSA-N 0 0 428.514 1.410 50 0 IDAARN C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014246586 557329414 /nfs/dbraw/zinc/32/94/14/557329414.db2.gz KXLCNDFDNXLRDP-MRXNPFEDSA-N 0 0 446.500 1.773 50 0 IDAARN CC(C)C(=O)N1CCc2c(c(C(=O)N3CCC(C(=O)NCc4ccco4)CC3)nn2C)C1 ZINC000033280390 557331607 /nfs/dbraw/zinc/33/16/07/557331607.db2.gz FEWWZBJXGPNHRX-UHFFFAOYSA-N 0 0 441.532 1.722 50 0 IDAARN CCCCn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)Nc1nc3c(s1)CCCC3)C(=O)N2 ZINC000102493786 557335725 /nfs/dbraw/zinc/33/57/25/557335725.db2.gz QOAYUWRDTJJDAJ-NSHDSACASA-N 0 0 431.518 1.747 50 0 IDAARN CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000014639073 557346711 /nfs/dbraw/zinc/34/67/11/557346711.db2.gz RJKKSEHCLWTWDO-UHFFFAOYSA-N 0 0 435.477 1.703 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000023486470 557363962 /nfs/dbraw/zinc/36/39/62/557363962.db2.gz OIIADYWLLUTRNQ-JOCHJYFZSA-N 0 0 445.472 1.027 50 0 IDAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1 ZINC000023674076 557371222 /nfs/dbraw/zinc/37/12/22/557371222.db2.gz XLVFQSOAABSZII-UXHICEINSA-N 0 0 426.579 1.673 50 0 IDAARN NC(=O)C1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000072400518 557393858 /nfs/dbraw/zinc/39/38/58/557393858.db2.gz QYWKMLPEBMWFTL-UHFFFAOYSA-N 0 0 442.347 1.549 50 0 IDAARN Cc1cccc2nc(C(=O)N3CCC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)cn21 ZINC000024111747 557396035 /nfs/dbraw/zinc/39/60/35/557396035.db2.gz OUBPZBCBIARPGD-UHFFFAOYSA-N 0 0 441.513 1.781 50 0 IDAARN CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)NC1=NCCS1 ZINC000013956056 557397999 /nfs/dbraw/zinc/39/79/99/557397999.db2.gz WYAVRIRFHCURPG-UHFFFAOYSA-N 0 0 448.530 1.268 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000033544010 557410236 /nfs/dbraw/zinc/41/02/36/557410236.db2.gz WLPGKGMUPYCTLI-DWKHYPNZSA-N 0 0 438.527 1.767 50 0 IDAARN O=c1c2cccc3cccc(c23)c1=N[N-]c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000100498179 557410523 /nfs/dbraw/zinc/41/05/23/557410523.db2.gz ZUKWMJMTPAUMIY-ZXVVBBHZSA-N 0 0 445.483 1.015 50 0 IDAARN COCCCn1c(C(=O)NCCCN2CCOCC2)cc2c1nc1c(C)cccn1c2=O ZINC000033558363 557410856 /nfs/dbraw/zinc/41/08/56/557410856.db2.gz YQSIULMNBMSYQJ-UHFFFAOYSA-N 0 0 441.532 1.446 50 0 IDAARN COCCN1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)CC1=O ZINC000408516570 557411929 /nfs/dbraw/zinc/41/19/29/557411929.db2.gz GTDZWXHQHNRHGH-OLZOCXBDSA-N 0 0 438.550 1.959 50 0 IDAARN COc1ccc(CNc2nc3nc(=O)n(-c4ccc5c(c4)OCO5)c(=O)c-3c[nH]2)c(OC)c1 ZINC000102911765 557411892 /nfs/dbraw/zinc/41/18/92/557411892.db2.gz QCEIOPAXMLPYSX-UHFFFAOYSA-N 0 0 449.423 1.827 50 0 IDAARN COc1ccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000102916066 557412301 /nfs/dbraw/zinc/41/23/01/557412301.db2.gz 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IDAARN COc1ccccc1CCN1C(=O)N[C@H](CC(=O)NCCc2nc3ccccc3[nH]2)C1=O ZINC000223228395 557448817 /nfs/dbraw/zinc/44/88/17/557448817.db2.gz IOZCLCYQIWAFJM-GOSISDBHSA-N 0 0 435.484 1.783 50 0 IDAARN CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@H]1n1nc(-c2ccc(C)cc2)n(C(C)C)c1=S ZINC000104195381 557452877 /nfs/dbraw/zinc/45/28/77/557452877.db2.gz VNGSVSLXZFOYFJ-RXYDEIHYSA-N 0 0 436.534 1.087 50 0 IDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000104727818 557458994 /nfs/dbraw/zinc/45/89/94/557458994.db2.gz ZKJANBXPNILKEK-BXWFABGCSA-N 0 0 438.546 1.948 50 0 IDAARN C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000105347902 557495685 /nfs/dbraw/zinc/49/56/85/557495685.db2.gz JDIRXVFLIVGBPN-NHRZQYMUSA-N 0 0 443.862 1.781 50 0 IDAARN C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000105347266 557495716 /nfs/dbraw/zinc/49/57/16/557495716.db2.gz WOVDBFKGXHXRMP-BYWWRHNPSA-N 0 0 443.862 1.781 50 0 IDAARN COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000012030316 557523764 /nfs/dbraw/zinc/52/37/64/557523764.db2.gz QXUWKAGZQAZOEB-LJQANCHMSA-N 0 0 437.539 1.629 50 0 IDAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c(OC)c1 ZINC000012030637 557523983 /nfs/dbraw/zinc/52/39/83/557523983.db2.gz GOKJLTPDCSXWGY-MRXNPFEDSA-N 0 0 439.511 1.917 50 0 IDAARN Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 ZINC000012033352 557524428 /nfs/dbraw/zinc/52/44/28/557524428.db2.gz JRXYXGXFMXTOMU-LBPRGKRZSA-N 0 0 437.909 1.645 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)NC[C@H]2OCCN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000012080709 557527506 /nfs/dbraw/zinc/52/75/06/557527506.db2.gz FUYDQAYNQRVTGC-LJQANCHMSA-N 0 0 445.903 1.622 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 ZINC000012080707 557527545 /nfs/dbraw/zinc/52/75/45/557527545.db2.gz ONLOMAKYFYBMKK-SFHVURJKSA-N 0 0 445.859 1.300 50 0 IDAARN COc1ccccc1NC(=O)c1nnsc1NC(=O)N1CCN(c2ncccn2)CC1 ZINC000025184036 557529063 /nfs/dbraw/zinc/52/90/63/557529063.db2.gz YXMVLRANRAASHC-UHFFFAOYSA-N 0 0 440.489 1.943 50 0 IDAARN COC(=O)[C@H]1C[C@@H](N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)[C@@H](O)C1 ZINC000106922643 557533453 /nfs/dbraw/zinc/53/34/53/557533453.db2.gz ANSXJSKGSIRSQD-MAZHCROVSA-N 0 0 447.351 1.068 50 0 IDAARN CNC(=O)c1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@@H]3C2=O)cc1 ZINC000107166031 557534831 /nfs/dbraw/zinc/53/48/31/557534831.db2.gz WOBLPFFOUXIMJB-HLLBOEOZSA-N 0 0 435.461 1.524 50 0 IDAARN COc1cccc(C(=O)N2CCN(CCNC(=O)c3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000044916903 557540715 /nfs/dbraw/zinc/54/07/15/557540715.db2.gz NYNZFDCTCVSCNT-UHFFFAOYSA-N 0 0 435.484 1.532 50 0 IDAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000109044270 557545626 /nfs/dbraw/zinc/54/56/26/557545626.db2.gz XYJQGTFZYVPFPX-YWZLYKJASA-N 0 0 442.541 1.175 50 0 IDAARN Cn1c(=O)c(-c2noc(C(=O)NCc3ccccc3Cl)n2)nn(-c2ccccc2)c1=O ZINC000045945819 557554341 /nfs/dbraw/zinc/55/43/41/557554341.db2.gz MHAOOFRZOQIZHC-UHFFFAOYSA-N 0 0 438.831 1.565 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 ZINC000045970392 557557924 /nfs/dbraw/zinc/55/79/24/557557924.db2.gz BXUZFAUJQQJUML-UHFFFAOYSA-N 0 0 443.485 1.505 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1 ZINC000045970378 557557928 /nfs/dbraw/zinc/55/79/28/557557928.db2.gz GYDFEIYOYQUWAU-UHFFFAOYSA-N 0 0 429.458 1.115 50 0 IDAARN COc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000040105899 557692037 /nfs/dbraw/zinc/69/20/37/557692037.db2.gz YTLLUXAOMVVJJL-AWEZNQCLSA-N 0 0 440.543 1.888 50 0 IDAARN O=C(NCCCN1CCN(c2ncccn2)CC1)c1nc(N2CCCCC2)ncc1Cl ZINC000040153347 557704758 /nfs/dbraw/zinc/70/47/58/557704758.db2.gz ZYOKNFTVDIMKHK-UHFFFAOYSA-N 0 0 444.971 1.852 50 0 IDAARN COc1cc(OC)c(OC)cc1CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000040158590 557707076 /nfs/dbraw/zinc/70/70/76/557707076.db2.gz VWAHNEUZTJQEQZ-UHFFFAOYSA-N 0 0 434.474 1.183 50 0 IDAARN CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000225396376 557718292 /nfs/dbraw/zinc/71/82/92/557718292.db2.gz HQEVLZPUEZRPCB-UHFFFAOYSA-N 0 0 428.392 1.856 50 0 IDAARN Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)ccc1Br ZINC000225405784 557719222 /nfs/dbraw/zinc/71/92/22/557719222.db2.gz PGVIDZIUUIQJPF-NPMXOYFQSA-N 0 0 432.365 1.985 50 0 IDAARN C[C@](O)(Cn1ccc2sccc2c1=O)C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000225443185 557723174 /nfs/dbraw/zinc/72/31/74/557723174.db2.gz WTCQLTZQFIRDMC-IBGZPJMESA-N 0 0 434.543 1.741 50 0 IDAARN COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1C ZINC000225567426 557743597 /nfs/dbraw/zinc/74/35/97/557743597.db2.gz ZTIIUCWGACAYJJ-UHFFFAOYSA-N 0 0 441.492 1.860 50 0 IDAARN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000225568215 557743791 /nfs/dbraw/zinc/74/37/91/557743791.db2.gz JMDIXIPGIDPJSY-UHFFFAOYSA-N 0 0 446.554 1.678 50 0 IDAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)C)c2N)cc1 ZINC000225698158 557765996 /nfs/dbraw/zinc/76/59/96/557765996.db2.gz MLPGGVRNGZSCLD-UHFFFAOYSA-N 0 0 426.520 1.668 50 0 IDAARN O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000024985478 557828654 /nfs/dbraw/zinc/82/86/54/557828654.db2.gz SYPQRZWWCRFLIO-UHFFFAOYSA-N 0 0 431.470 1.916 50 0 IDAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 ZINC000000859429 557831565 /nfs/dbraw/zinc/83/15/65/557831565.db2.gz PBFURKMOUOWFGW-QUCCMNQESA-N 0 0 442.578 1.580 50 0 IDAARN CC(=O)NC1=NN(C(C)=O)[C@@](C)(CS(=O)(=O)c2ccc(Br)cc2)S1 ZINC000000859557 557831596 /nfs/dbraw/zinc/83/15/96/557831596.db2.gz BLZGCWQSLYVNMK-CQSZACIVSA-N 0 0 434.337 1.941 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccnc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000025008978 557831845 /nfs/dbraw/zinc/83/18/45/557831845.db2.gz TZRKOEVVKOLMCI-UHFFFAOYSA-N 0 0 438.456 1.013 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]12 ZINC000239174210 557843117 /nfs/dbraw/zinc/84/31/17/557843117.db2.gz PNMGKNIZLDIVSS-QPAOKJHLSA-N 0 0 427.409 1.545 50 0 IDAARN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC(OCC(F)(F)F)C1 ZINC000239591343 557844826 /nfs/dbraw/zinc/84/48/26/557844826.db2.gz BAYNSODXLRZXKM-ZDUSSCGKSA-N 0 0 442.843 1.519 50 0 IDAARN O=C(CCS(=O)(=O)N1CCOCC1)NC[C@@H](c1ccc(Cl)cc1)n1cccn1 ZINC000240465895 557845493 /nfs/dbraw/zinc/84/54/93/557845493.db2.gz GBFBVEZZEZNPGH-KRWDZBQOSA-N 0 0 426.926 1.294 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCN(CCO)S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000241173077 557846204 /nfs/dbraw/zinc/84/62/04/557846204.db2.gz KFVAIBWGKZGGQW-UHFFFAOYSA-N 0 0 440.587 1.882 50 0 IDAARN CCn1nc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O ZINC000018835387 557860715 /nfs/dbraw/zinc/86/07/15/557860715.db2.gz TWSVTLBDFWLHCV-UHFFFAOYSA-N 0 0 430.486 1.928 50 0 IDAARN CC(=O)N1CCc2cc(NC(=O)COC(=O)Cn3nnc(-c4ccc(C)cc4)n3)ccc21 ZINC000018866728 557862522 /nfs/dbraw/zinc/86/25/22/557862522.db2.gz KFNZDRNORXVDIE-UHFFFAOYSA-N 0 0 434.456 1.739 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(COC(=O)CNC(=O)c2ccc(Br)o2)c1 ZINC000002629647 562928721 /nfs/dbraw/zinc/92/87/21/562928721.db2.gz MOUOWIKLYPTGMW-UHFFFAOYSA-N 0 0 445.291 1.766 50 0 IDAARN COc1ccc(CCNC(=O)CN2c3ccccc3C3(OCCCO3)C2=O)cc1OC ZINC000003041979 562932117 /nfs/dbraw/zinc/93/21/17/562932117.db2.gz ZGSYISQGHCTCMS-UHFFFAOYSA-N 0 0 426.469 1.999 50 0 IDAARN O=C(NCCO)c1cc(-c2cc(C(=O)NCCO)c3ccccc3n2)nc2ccccc21 ZINC000003072995 562932433 /nfs/dbraw/zinc/93/24/33/562932433.db2.gz CFYCLLUGGRSIQV-UHFFFAOYSA-N 0 0 430.464 1.894 50 0 IDAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)NCc1ccccc1 ZINC000003228811 562933083 /nfs/dbraw/zinc/93/30/83/562933083.db2.gz MQYQNPWCMQISJU-DHZHZOJOSA-N 0 0 444.509 1.580 50 0 IDAARN O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)NCc1ccccc1 ZINC000003246714 562933250 /nfs/dbraw/zinc/93/32/50/562933250.db2.gz DMKRYYXQTQFSHS-UHFFFAOYSA-N 0 0 436.461 1.320 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)c(=O)n(C)c1=O ZINC000003246857 562933260 /nfs/dbraw/zinc/93/32/60/562933260.db2.gz QOYLFEOOSMDYPI-UHFFFAOYSA-N 0 0 434.408 1.514 50 0 IDAARN Cc1ccc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)cc1 ZINC000003273629 562933562 /nfs/dbraw/zinc/93/35/62/562933562.db2.gz YHFYXIRUWAXQFG-ACJLOTCBSA-N 0 0 440.905 1.858 50 0 IDAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CSc1cccc[n+]1[O-] ZINC000003358301 562934767 /nfs/dbraw/zinc/93/47/67/562934767.db2.gz KKIPQYKRZMFWTF-UHFFFAOYSA-N 0 0 425.488 1.323 50 0 IDAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003372665 562934993 /nfs/dbraw/zinc/93/49/93/562934993.db2.gz TTWDSKKFAHGHBP-IBGZPJMESA-N 0 0 434.470 1.900 50 0 IDAARN COc1ccccc1-n1cnnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003397661 562935157 /nfs/dbraw/zinc/93/51/57/562935157.db2.gz MVGFFTGYGMBLIS-UHFFFAOYSA-N 0 0 427.486 1.946 50 0 IDAARN COCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O ZINC000003957740 562940046 /nfs/dbraw/zinc/94/00/46/562940046.db2.gz LGYPESJAICLKSW-UHFFFAOYSA-N 0 0 427.457 1.326 50 0 IDAARN CCOC(=O)N1CCN(C(=O)C[C@@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 ZINC000004004292 562940647 /nfs/dbraw/zinc/94/06/47/562940647.db2.gz BOAMWINXUQGXCU-IBGZPJMESA-N 0 0 425.489 1.704 50 0 IDAARN COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2N)cc1OC ZINC000004078456 562941572 /nfs/dbraw/zinc/94/15/72/562941572.db2.gz UIFGBABCVMYFFP-UHFFFAOYSA-N 0 0 438.488 1.797 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(C)cc3)ccc21 ZINC000004101969 562941924 /nfs/dbraw/zinc/94/19/24/562941924.db2.gz WHDYYFBXXCCNBV-UHFFFAOYSA-N 0 0 429.542 1.931 50 0 IDAARN Cn1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCCc4ccccc43)cc2oc1=O ZINC000004111340 562942058 /nfs/dbraw/zinc/94/20/58/562942058.db2.gz HNRVHLAJEMNARA-QGZVFWFLSA-N 0 0 429.498 1.994 50 0 IDAARN Cn1c2ccc(S(=O)(=O)NCCC(=O)N[C@H]3CCCc4ccccc43)cc2oc1=O ZINC000004111344 562942147 /nfs/dbraw/zinc/94/21/47/562942147.db2.gz HNRVHLAJEMNARA-KRWDZBQOSA-N 0 0 429.498 1.994 50 0 IDAARN CC[C@H](C)N(C(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000006053604 562946085 /nfs/dbraw/zinc/94/60/85/562946085.db2.gz SBDYEUCTCHYIES-YKNXIFKJSA-N 0 0 425.503 1.771 50 0 IDAARN CC(C)NC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000006171233 562946444 /nfs/dbraw/zinc/94/64/44/562946444.db2.gz VRBAIQIFFXAPBX-UHFFFAOYSA-N 0 0 434.470 1.940 50 0 IDAARN Cc1nnc(SCCn2c(N3CCC[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000006529639 562947007 /nfs/dbraw/zinc/94/70/07/562947007.db2.gz VXJNXUCRGATLNC-NSHDSACASA-N 0 0 435.579 1.622 50 0 IDAARN CCOC(=O)[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1 ZINC000006578190 562948069 /nfs/dbraw/zinc/94/80/69/562948069.db2.gz KTCDLRSNASOVQY-LLVKDONJSA-N 0 0 431.474 1.287 50 0 aggregator IDAARN C1CN1P1(N2CC2)=NP(N2CC2)(N2CC2)=N[P@](N2CC2)(N2CCOCC2)=N1 ZINC000008214568 562949145 /nfs/dbraw/zinc/94/91/45/562949145.db2.gz SCGZIPCHOAVGCL-UHFFFAOYSA-N 0 0 431.362 1.749 50 0 in-man IDAARN COc1cc(NC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)cc(OC)c1OC ZINC000008591681 562952072 /nfs/dbraw/zinc/95/20/72/562952072.db2.gz HELDCWURHCKCES-UHFFFAOYSA-N 0 0 425.441 1.782 50 0 IDAARN O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008601628 562955471 /nfs/dbraw/zinc/95/54/71/562955471.db2.gz DDDCKJUEDLYNOM-QGZVFWFLSA-N 0 0 447.488 1.382 50 0 IDAARN CCOc1ccc(CCNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 ZINC000008603156 562955939 /nfs/dbraw/zinc/95/59/39/562955939.db2.gz ABBCXDYXXLNIPB-UHFFFAOYSA-N 0 0 429.502 1.359 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)c1 ZINC000008603069 562955957 /nfs/dbraw/zinc/95/59/57/562955957.db2.gz IKVLCBGJWXREFA-UHFFFAOYSA-N 0 0 429.458 1.417 50 0 IDAARN Cc1ccc(OCC(=O)NCC(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000008605392 562956760 /nfs/dbraw/zinc/95/67/60/562956760.db2.gz JHCYYJLDJBMLJJ-UHFFFAOYSA-N 0 0 430.486 1.821 50 0 IDAARN COc1cccc(-c2nc3c(c(C(N)=O)n2)n(C)c(=O)n3-c2ccc3c(c2)OCO3)c1OC ZINC000008610465 562958198 /nfs/dbraw/zinc/95/81/98/562958198.db2.gz COBKZTPRVJGSHL-UHFFFAOYSA-N 0 0 449.423 1.631 50 0 IDAARN 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Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cnc3c(c2)c(C)nn3C)CC1 ZINC000025517316 568662325 /nfs/dbraw/zinc/66/23/25/568662325.db2.gz PRYMFBPSFBDDST-UHFFFAOYSA-N 0 0 432.506 1.921 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2)CC1 ZINC000263639682 568737439 /nfs/dbraw/zinc/73/74/39/568737439.db2.gz DIFVBUZFKLOWHR-UHFFFAOYSA-N 0 0 437.831 1.792 50 0 IDAARN COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000040073866 568738587 /nfs/dbraw/zinc/73/85/87/568738587.db2.gz OONCYXVRCLLHRT-SSDOTTSWSA-N 0 0 429.663 1.870 50 0 IDAARN Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000019127164 568742793 /nfs/dbraw/zinc/74/27/93/568742793.db2.gz HJVIVVSFBOVBAN-QFIPXVFZSA-N 0 0 428.489 1.797 50 0 IDAARN COc1ccc(CCS(=O)(=O)NCC2CCN(C(=O)c3snnc3C)CC2)cc1 ZINC000043958277 568744405 /nfs/dbraw/zinc/74/44/05/568744405.db2.gz UXKYUKXDUIYVTN-UHFFFAOYSA-N 0 0 438.575 1.869 50 0 IDAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000043961666 568744412 /nfs/dbraw/zinc/74/44/12/568744412.db2.gz JMSAWTJJPYNMDE-UHFFFAOYSA-N 0 0 443.591 1.764 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)NCC3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1C ZINC000044003867 568745470 /nfs/dbraw/zinc/74/54/70/568745470.db2.gz LVDPJUWANCAUHQ-SFHVURJKSA-N 0 0 433.574 1.977 50 0 IDAARN COc1ccc(F)cc1S(=O)(=O)NCCN1CCN(C(=O)c2cccs2)CC1 ZINC000044226975 568750119 /nfs/dbraw/zinc/75/01/19/568750119.db2.gz GSQDTEUILZOERC-UHFFFAOYSA-N 0 0 427.523 1.632 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCC(=O)N1CCCCCC1 ZINC000012571507 568750702 /nfs/dbraw/zinc/75/07/02/568750702.db2.gz IZXCLGIFNDPOLW-UHFFFAOYSA-N 0 0 430.548 1.257 50 0 IDAARN CCOC(=O)CCc1c(C)c2ccc(=O)c(C[NH2+][C@@]3(C)CCS(=O)(=O)C3)c-2oc1[O-] ZINC000334158311 568750889 /nfs/dbraw/zinc/75/08/89/568750889.db2.gz FYMHJINDMAWQOQ-NRFANRHFSA-N 0 0 437.514 1.921 50 0 IDAARN Cc1cc(=NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159207 568751134 /nfs/dbraw/zinc/75/11/34/568751134.db2.gz DRAPEIYAROKVMC-IRXDYDNUSA-N 0 0 432.550 1.235 50 0 IDAARN CCCc1c(C(=O)NCCN2CCOCC2)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000299796243 568757994 /nfs/dbraw/zinc/75/79/94/568757994.db2.gz OKURTFHNCWEDEO-UHFFFAOYSA-N 0 0 441.528 1.948 50 0 IDAARN COC(=O)c1cn(CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc2c(=O)[nH]nc1-2 ZINC000263587144 568760204 /nfs/dbraw/zinc/76/02/04/568760204.db2.gz CSGOAJUSURFWFP-UHFFFAOYSA-N 0 0 425.401 1.773 50 0 IDAARN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000263587634 568760866 /nfs/dbraw/zinc/76/08/66/568760866.db2.gz JJIYIYXHWWGXJY-RDJZCZTQSA-N 0 0 435.546 1.917 50 0 IDAARN C[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)cc1F ZINC000015392850 568761525 /nfs/dbraw/zinc/76/15/25/568761525.db2.gz KLCGAKHUCLPNQX-SNVBAGLBSA-N 0 0 425.417 1.416 50 0 IDAARN O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NCCNC(=O)c1ccco1 ZINC000025681207 568775285 /nfs/dbraw/zinc/77/52/85/568775285.db2.gz ADGCRFKQYUEPAP-UHFFFAOYSA-N 0 0 432.502 1.425 50 0 IDAARN COCCCNC(=O)NC1CCN(Cc2nnn3c2CO[C@@H](c2cccc(F)c2)C3)CC1 ZINC000263615986 568776270 /nfs/dbraw/zinc/77/62/70/568776270.db2.gz GJAPHELQLUNNGB-OAQYLSRUSA-N 0 0 446.527 1.989 50 0 IDAARN COc1ccc([C@@H]2CCCN2C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000025716242 568776301 /nfs/dbraw/zinc/77/63/01/568776301.db2.gz PQGUVTNTEVBGQS-KRWDZBQOSA-N 0 0 425.489 1.586 50 0 IDAARN NC(=O)C1CCN(C(=O)Cn2c3ccsc3c(=O)n(-c3ccc(Cl)cc3)c2=O)CC1 ZINC000032071508 568776321 /nfs/dbraw/zinc/77/63/21/568776321.db2.gz BPTLYALVTXEIDW-UHFFFAOYSA-N 0 0 446.916 1.591 50 0 IDAARN COc1ccc([C@H]2Cn3nnc(CN4CCN(C(=O)c5ccccn5)CC4)c3CO2)cc1 ZINC000263616808 568776994 /nfs/dbraw/zinc/77/69/94/568776994.db2.gz KRFLZLIEPGRBTM-JOCHJYFZSA-N 0 0 434.500 1.911 50 0 IDAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3CO2)cc1 ZINC000263617624 568777272 /nfs/dbraw/zinc/77/72/72/568777272.db2.gz OTOGKFSURLTEBJ-LJQANCHMSA-N 0 0 437.456 1.749 50 0 IDAARN COc1cccc(C(=O)N2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2)c1 ZINC000020998930 568781507 /nfs/dbraw/zinc/78/15/07/568781507.db2.gz IHWQCFHXULAWIU-UHFFFAOYSA-N 0 0 434.562 1.909 50 0 IDAARN CCN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000015452648 568781763 /nfs/dbraw/zinc/78/17/63/568781763.db2.gz PFXLWLYDAPJNFS-UHFFFAOYSA-N 0 0 447.513 1.760 50 0 IDAARN COc1ccc(CNc2nc(NCc3ccc(OC)nc3)nc(N3CCOCC3)n2)cn1 ZINC000083962627 568787311 /nfs/dbraw/zinc/78/73/11/568787311.db2.gz DHPXQAPGBFIISI-UHFFFAOYSA-N 0 0 438.492 1.740 50 0 IDAARN COc1ccc(C(=O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000001423536 568793195 /nfs/dbraw/zinc/79/31/95/568793195.db2.gz ZLYSLGFBHCPIBH-UHFFFAOYSA-N 0 0 425.489 1.562 50 0 IDAARN Cn1c2nc(SCC(=O)NC3CCCC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000001425629 568793752 /nfs/dbraw/zinc/79/37/52/568793752.db2.gz XTSAKKCJBWVFNF-UHFFFAOYSA-N 0 0 445.520 1.772 50 0 IDAARN Cc1nnnn1-c1cccc(NC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000084297427 568796831 /nfs/dbraw/zinc/79/68/31/568796831.db2.gz GNXMZWBATIJEBS-UHFFFAOYSA-N 0 0 426.525 1.379 50 0 IDAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000084544117 568798615 /nfs/dbraw/zinc/79/86/15/568798615.db2.gz AFRVUQKUNRLBHJ-PJVWNMJMSA-N 0 0 433.593 1.659 50 0 IDAARN CC[C@@]1(c2ccc(OC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2)NC(=O)NC1=O ZINC000084735389 568800649 /nfs/dbraw/zinc/80/06/49/568800649.db2.gz ILDKHMQNLQWQFV-NRFANRHFSA-N 0 0 443.481 1.890 50 0 IDAARN CCOC[C@H](C(=O)OC)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000084801147 568801582 /nfs/dbraw/zinc/80/15/82/568801582.db2.gz GDTMFZZBEQNUOV-GOSISDBHSA-N 0 0 426.535 1.432 50 0 IDAARN C[C@H]1CSc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2NC1=O ZINC000015731095 568814439 /nfs/dbraw/zinc/81/44/39/568814439.db2.gz YSFKOUKFZLWDEI-JTQLQIEISA-N 0 0 427.529 1.815 50 0 IDAARN CC(C)Cc1nn2c(nc(COC(=O)CN3C(=O)c4ccccc4C3=O)cc2=O)s1 ZINC000015734063 568815722 /nfs/dbraw/zinc/81/57/22/568815722.db2.gz GFKNLTMZGSEKQK-UHFFFAOYSA-N 0 0 426.454 1.689 50 0 IDAARN CCOCCc1nn2c(nc(COC(=O)CNC(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000015733930 568816002 /nfs/dbraw/zinc/81/60/02/568816002.db2.gz YDSYJQPNZFWCAS-UHFFFAOYSA-N 0 0 430.486 1.512 50 0 IDAARN Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NCCN1CCOCC1)C(=O)CS2 ZINC000015735123 568816852 /nfs/dbraw/zinc/81/68/52/568816852.db2.gz FVDTYVSRSFPTOH-UHFFFAOYSA-N 0 0 443.573 1.848 50 0 IDAARN Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NC[C@H]2CCCO2)C3)c1 ZINC000085413633 568818828 /nfs/dbraw/zinc/81/88/28/568818828.db2.gz UYGZORQYEPDMEW-APWZRJJASA-N 0 0 426.517 1.861 50 0 IDAARN COc1ccc(OC)c(CCNC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)c1 ZINC000012003163 568819463 /nfs/dbraw/zinc/81/94/63/568819463.db2.gz FNZFCCXWOUHULU-CQSZACIVSA-N 0 0 432.498 1.989 50 0 IDAARN Cc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)c(Br)c1 ZINC000015767434 568821659 /nfs/dbraw/zinc/82/16/59/568821659.db2.gz IKBCJBBHDIELQQ-UHFFFAOYSA-N 0 0 443.323 1.614 50 0 IDAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCC(C)CC3)c2)n1 ZINC000085650860 568830934 /nfs/dbraw/zinc/83/09/34/568830934.db2.gz SVLQNYWTLWXCMR-UHFFFAOYSA-N 0 0 433.534 1.849 50 0 IDAARN CCCCN(C)S(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1 ZINC000085651808 568831481 /nfs/dbraw/zinc/83/14/81/568831481.db2.gz GHPYUMGHUIJPHR-UHFFFAOYSA-N 0 0 427.548 1.342 50 0 IDAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)NC3CCCC3)ccc21)N1CCOCC1 ZINC000085651715 568831518 /nfs/dbraw/zinc/83/15/18/568831518.db2.gz FULQKPYNPUFRKM-UHFFFAOYSA-N 0 0 425.532 1.143 50 0 IDAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)o1 ZINC000085651003 568831629 /nfs/dbraw/zinc/83/16/29/568831629.db2.gz KDMLCPRQRRBEGP-MRXNPFEDSA-N 0 0 448.545 1.869 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000085681846 568834372 /nfs/dbraw/zinc/83/43/72/568834372.db2.gz UFDZWOUNBBJGOA-MRXNPFEDSA-N 0 0 444.561 1.847 50 0 IDAARN O=C(Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)N1CCC2(CC1)OCCO2 ZINC000015787130 568836841 /nfs/dbraw/zinc/83/68/41/568836841.db2.gz JEVVEASFZOLUNB-UHFFFAOYSA-N 0 0 435.480 1.577 50 0 IDAARN COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(CN3CCOCC3)n1C)CC2 ZINC000085875695 568838198 /nfs/dbraw/zinc/83/81/98/568838198.db2.gz GVDUASCJZCHSEM-UHFFFAOYSA-N 0 0 429.517 1.499 50 0 biogenic IDAARN COc1ccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c(OC)c1 ZINC000085876714 568838519 /nfs/dbraw/zinc/83/85/19/568838519.db2.gz KQFDCFDXMKBPOZ-UHFFFAOYSA-N 0 0 432.381 1.186 50 0 biogenic IDAARN Cc1cc2c(cc1S(=O)(=O)NCCN1CCN(c3ccccc3)CC1)OCC(=O)N2 ZINC000015822137 568840025 /nfs/dbraw/zinc/84/00/25/568840025.db2.gz KEACRTYUCYFAKX-UHFFFAOYSA-N 0 0 430.530 1.426 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCCCc1ccccc1)OCC(=O)N2 ZINC000015822334 568840071 /nfs/dbraw/zinc/84/00/71/568840071.db2.gz IMAZRSZIKPAOSJ-UHFFFAOYSA-N 0 0 431.514 1.695 50 0 IDAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000015824147 568840403 /nfs/dbraw/zinc/84/04/03/568840403.db2.gz BELCLMBQEXERMW-UHFFFAOYSA-N 0 0 444.473 1.695 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)CC1 ZINC000015858612 568846769 /nfs/dbraw/zinc/84/67/69/568846769.db2.gz VRDRIMCYBCYYKR-UHFFFAOYSA-N 0 0 437.518 1.740 50 0 IDAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(NC(C)=O)cc1)c(=O)n2C ZINC000015880406 568854116 /nfs/dbraw/zinc/85/41/16/568854116.db2.gz RCDCBCBKBISBBF-UHFFFAOYSA-N 0 0 425.445 1.399 50 0 IDAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCO1 ZINC000015882008 568856347 /nfs/dbraw/zinc/85/63/47/568856347.db2.gz SXGPOUHRURNDFU-TZMCWYRMSA-N 0 0 428.557 1.736 50 0 IDAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000015883727 568857881 /nfs/dbraw/zinc/85/78/81/568857881.db2.gz SWPCZJIPNBQSTI-KBPBESRZSA-N 0 0 434.562 1.559 50 0 IDAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(F)cc1F ZINC000015883767 568857943 /nfs/dbraw/zinc/85/79/43/568857943.db2.gz WOXFACLOZKYLCO-UHFFFAOYSA-N 0 0 436.440 1.788 50 0 IDAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967487 568860608 /nfs/dbraw/zinc/86/06/08/568860608.db2.gz HBCVETSGEQSJJA-WKVINZIJSA-N 0 0 446.507 1.142 50 0 biogenic IDAARN Cc1nnc2c(N3CC[C@H](NS(=O)(=O)c4ccc(Br)s4)C3)nccn12 ZINC000575414514 568860828 /nfs/dbraw/zinc/86/08/28/568860828.db2.gz JACGIYBQTGSNIV-JTQLQIEISA-N 0 0 443.352 1.814 50 0 IDAARN Cc1nnc2c(N3CC[C@@H](NS(=O)(=O)c4ccc(Br)s4)C3)nccn12 ZINC000575414517 568860843 /nfs/dbraw/zinc/86/08/43/568860843.db2.gz JACGIYBQTGSNIV-SNVBAGLBSA-N 0 0 443.352 1.814 50 0 IDAARN C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O ZINC000023316124 568877809 /nfs/dbraw/zinc/87/78/09/568877809.db2.gz IUFPWMTVGCNBDB-NVXWUHKLSA-N 0 0 435.546 1.108 50 0 IDAARN CN(C)c1nc(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)nc(N2CCOCC2)n1 ZINC000575605707 568878043 /nfs/dbraw/zinc/87/80/43/568878043.db2.gz DDJHNMGOYBNGQZ-UHFFFAOYSA-N 0 0 440.483 1.244 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2nc(N(C)C)nc(N3CCCCC3)n2)c(C)c1 ZINC000575608765 568878404 /nfs/dbraw/zinc/87/84/04/568878404.db2.gz YEMNNRUZLMPJPF-UHFFFAOYSA-N 0 0 447.565 1.673 50 0 IDAARN O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000575608870 568878581 /nfs/dbraw/zinc/87/85/81/568878581.db2.gz WBKRRKCWOBKTQU-PBHICJAKSA-N 0 0 426.560 1.464 50 0 IDAARN O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000575608879 568878653 /nfs/dbraw/zinc/87/86/53/568878653.db2.gz WBKRRKCWOBKTQU-WMLDXEAASA-N 0 0 426.560 1.464 50 0 IDAARN CCOC(=O)c1csc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1 ZINC000575609195 568878902 /nfs/dbraw/zinc/87/89/02/568878902.db2.gz KOUFLSKDHOERAW-UHFFFAOYSA-N 0 0 427.490 1.987 50 0 IDAARN CN1c2cc(F)c(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2N(C)S1(=O)=O ZINC000575611544 568879267 /nfs/dbraw/zinc/87/92/67/568879267.db2.gz FZMNBGNYLBOBQD-UHFFFAOYSA-N 0 0 429.451 1.529 50 0 IDAARN CN1c2cc(F)c(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)cc2N(C)S1(=O)=O ZINC000575613114 568879532 /nfs/dbraw/zinc/87/95/32/568879532.db2.gz PMEVBAOKESQDHQ-UHFFFAOYSA-N 0 0 440.478 1.642 50 0 IDAARN CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000000633115 568880142 /nfs/dbraw/zinc/88/01/42/568880142.db2.gz NUWHWHMEUAHHAK-KRWDZBQOSA-N 0 0 435.484 1.500 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)cc1 ZINC000575615719 568881323 /nfs/dbraw/zinc/88/13/23/568881323.db2.gz FNHCAUMEPRZYMB-UHFFFAOYSA-N 0 0 443.485 1.996 50 0 IDAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 ZINC000575616982 568881650 /nfs/dbraw/zinc/88/16/50/568881650.db2.gz PBMLCSJGCGGKCA-NSHDSACASA-N 0 0 448.423 1.677 50 0 IDAARN O=C(NCc1nccnc1-c1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000575618590 568882120 /nfs/dbraw/zinc/88/21/20/568882120.db2.gz CSMSCSIGXKKDGF-UHFFFAOYSA-N 0 0 439.497 1.490 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(F)ccc2F)cn1C ZINC000035478304 568882581 /nfs/dbraw/zinc/88/25/81/568882581.db2.gz IGLJJBGCDUMPOZ-OAHLLOKOSA-N 0 0 427.429 1.882 50 0 IDAARN Cc1ccc(CNC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCC3)cc1 ZINC000010255142 568884214 /nfs/dbraw/zinc/88/42/14/568884214.db2.gz PIJHKGULIGEMCC-UHFFFAOYSA-N 0 0 427.574 1.332 50 0 IDAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(OC)c1OC ZINC000226305965 568885351 /nfs/dbraw/zinc/88/53/51/568885351.db2.gz XSGQSKZQZXDUJQ-NCOADZHNSA-N 0 0 426.425 1.616 50 0 IDAARN C[C@@]1(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CCS(=O)(=O)C1 ZINC000229821765 568887183 /nfs/dbraw/zinc/88/71/83/568887183.db2.gz RAOWCTXLLFDFEP-FZKQIMNGSA-N 0 0 428.942 1.079 50 0 IDAARN Cc1ccc(Nc2ccc(NCCNC(=O)COc3ccc(-n4cccn4)nn3)nn2)nc1 ZINC000090607742 568890084 /nfs/dbraw/zinc/89/00/84/568890084.db2.gz NZORDKGELVPULQ-UHFFFAOYSA-N 0 0 446.475 1.506 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C(=Cc2ccccc2)n2nnnc2C)NC(=O)N[C@@H]1C ZINC000013062651 568893006 /nfs/dbraw/zinc/89/30/06/568893006.db2.gz XCCYAWWVTFXMKF-YUSFRKCESA-N 0 0 426.433 1.041 50 0 IDAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2CC(N)=O)cc1OC ZINC000012987110 568895128 /nfs/dbraw/zinc/89/51/28/568895128.db2.gz WZLZWRMYQUAUTJ-UHFFFAOYSA-N 0 0 431.474 1.449 50 0 IDAARN O=C(CCN1C(=O)CNC1=O)Nc1ccc(NS(=O)(=O)C=Cc2ccccc2)cc1 ZINC000040139094 568896565 /nfs/dbraw/zinc/89/65/65/568896565.db2.gz SVGAMTPQOZSWTD-ACCUITESSA-N 0 0 428.470 1.980 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCC(O)CC3)cc2)cc1 ZINC000077200946 568897730 /nfs/dbraw/zinc/89/77/30/568897730.db2.gz ZSMLQTGHDJVDOW-UHFFFAOYSA-N 0 0 432.498 1.800 50 0 IDAARN COC(=O)Cn1c2ccccc2sc1=NC(=O)CSCC(=O)Nc1cc(C)on1 ZINC000100825529 568900411 /nfs/dbraw/zinc/90/04/11/568900411.db2.gz ZAZMELLMISRBCK-ZZEZOPTASA-N 0 0 434.499 1.971 50 0 IDAARN COc1ccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000013016573 568901589 /nfs/dbraw/zinc/90/15/89/568901589.db2.gz PUCCJRVUXLHXHX-INIZCTEOSA-N 0 0 435.521 1.846 50 0 IDAARN COC(=O)CNS(=O)(=O)c1ccc(NC(=O)CCc2cc(OC)cc(OC)c2)cc1 ZINC000013021696 568902299 /nfs/dbraw/zinc/90/22/99/568902299.db2.gz RIBUHSCLBUQDOK-UHFFFAOYSA-N 0 0 436.486 1.726 50 0 IDAARN Cc1cc(OC2CN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)C2)cc(=O)n1C1CC1 ZINC000245053512 568902509 /nfs/dbraw/zinc/90/25/09/568902509.db2.gz OXQLEWUHFNRIDI-UHFFFAOYSA-N 0 0 431.470 1.388 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 ZINC000524729069 568903542 /nfs/dbraw/zinc/90/35/42/568903542.db2.gz BMMJPIJFAFIPGM-FUMNGEBKSA-N 0 0 438.528 1.399 50 0 biogenic IDAARN CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000089274610 568909977 /nfs/dbraw/zinc/90/99/77/568909977.db2.gz LZGSTMAZZZWISC-UHFFFAOYSA-N 0 0 436.877 1.332 50 0 IDAARN CN1C(=O)[C@@H]2[C@H](C1=O)N1[C@H](c3cccs3)[C@@H]3C(=O)N(C)C(=O)[C@H]3N1[C@@H]2c1cccs1 ZINC000238936939 568910237 /nfs/dbraw/zinc/91/02/37/568910237.db2.gz SPHHDFIPWOIWAC-UGYDUONOSA-N 0 0 442.522 1.105 50 0 IDAARN CN1C(=O)[C@H]2[C@H](c3cccs3)N3[C@H]4C(=O)N(C)C(=O)[C@H]4[C@@H](c4cccs4)N3[C@H]2C1=O ZINC000238936941 568910299 /nfs/dbraw/zinc/91/02/99/568910299.db2.gz SPHHDFIPWOIWAC-YZXKGSGOSA-N 0 0 442.522 1.105 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1 ZINC000238924306 568910304 /nfs/dbraw/zinc/91/03/04/568910304.db2.gz RVTRMQCELGOSMW-GOEBONIOSA-N 0 0 425.507 1.561 50 0 IDAARN C[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000239287483 568910921 /nfs/dbraw/zinc/91/09/21/568910921.db2.gz CWMRTBWTJWTHNW-KFKAGJAMSA-N 0 0 443.500 1.569 50 0 IDAARN COC(=O)[C@H](C)O[C@@H]1[C@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@H]2COC(C)(C)O[C@@H]12 ZINC000245225776 568912943 /nfs/dbraw/zinc/91/29/43/568912943.db2.gz OEKDBUGAXUPTRV-CAFBTOGLSA-N 0 0 437.489 1.531 50 0 IDAARN NC(=O)C1CCN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000245256521 568914054 /nfs/dbraw/zinc/91/40/54/568914054.db2.gz QKTJKRIQCPZSIL-KOMQPUFPSA-N 0 0 425.526 1.634 50 0 IDAARN CN(C)C(=O)CCN1CCN(C(=O)Nc2ccc(I)cc2)CC1 ZINC000089310412 568920796 /nfs/dbraw/zinc/92/07/96/568920796.db2.gz PXUNXBJBOOFBIW-UHFFFAOYSA-N 0 0 430.290 1.919 50 0 IDAARN CCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006501535 568927939 /nfs/dbraw/zinc/92/79/39/568927939.db2.gz QBFJTXIMYIRZBY-QGZVFWFLSA-N 0 0 433.486 1.414 50 0 IDAARN Cn1c2cc(NC(=O)c3c(F)cccc3F)c(N3CCOCC3)cc2n(C)c(=O)c1=O ZINC000064526263 568931408 /nfs/dbraw/zinc/93/14/08/568931408.db2.gz AWHCFFGHKWONKO-UHFFFAOYSA-N 0 0 430.411 1.604 50 0 IDAARN Cn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)CCC(=O)NC1CCCCCC1)C2 ZINC000064565535 568932474 /nfs/dbraw/zinc/93/24/74/568932474.db2.gz SKJKODKHXUFDQW-UHFFFAOYSA-N 0 0 445.564 1.396 50 0 IDAARN Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)CCC(=O)NCc1ccccn1)C2 ZINC000064565484 568932521 /nfs/dbraw/zinc/93/25/21/568932521.db2.gz GMCJUNSQGPACTD-UHFFFAOYSA-N 0 0 438.532 1.423 50 0 IDAARN Cn1nc(C(=O)N2CCCCC2)c2c1CCN(C(=O)CCC(=O)NCc1ccco1)C2 ZINC000064565493 568932548 /nfs/dbraw/zinc/93/25/48/568932548.db2.gz WXEUKJGTOVVPEN-UHFFFAOYSA-N 0 0 427.505 1.621 50 0 IDAARN CCN1C2=C(C(=O)N([C@H](C)C(=O)N3CCCC3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035945448 568932674 /nfs/dbraw/zinc/93/26/74/568932674.db2.gz DYTOGGMSKUSXOX-ACJLOTCBSA-N 0 0 427.461 1.788 50 0 IDAARN CCN1C2=C(C(=O)N([C@H](C)C(=O)N3CCCC3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035945449 568932692 /nfs/dbraw/zinc/93/26/92/568932692.db2.gz DYTOGGMSKUSXOX-FZKQIMNGSA-N 0 0 427.461 1.788 50 0 IDAARN COC(=O)[C@H](C)NC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCOCC4)c3c2)CC1 ZINC000064612048 568941745 /nfs/dbraw/zinc/94/17/45/568941745.db2.gz KWAMFGDLICJLFW-HNNXBMFYSA-N 0 0 443.504 1.257 50 0 IDAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccsc3)NC(=O)N2C)C[C@H]1C ZINC000036001565 568941979 /nfs/dbraw/zinc/94/19/79/568941979.db2.gz MKEQGUJZVXOLEV-KDOFPFPSSA-N 0 0 449.577 1.997 50 0 IDAARN O=C(NCc1cccnc1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2)c1=O ZINC000036085127 568947794 /nfs/dbraw/zinc/94/77/94/568947794.db2.gz GCZNHEOLSYRHKH-UHFFFAOYSA-N 0 0 431.427 1.907 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036085240 568947808 /nfs/dbraw/zinc/94/78/08/568947808.db2.gz WMTXHEJGTHBQIL-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085669 568948047 /nfs/dbraw/zinc/94/80/47/568948047.db2.gz XNKPBJNINFZJPR-UHFFFAOYSA-N 0 0 432.839 1.611 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccc(Cl)cc3)c2=O)c1 ZINC000036085735 568948124 /nfs/dbraw/zinc/94/81/24/568948124.db2.gz SRBUDOXSXZRIJI-UHFFFAOYSA-N 0 0 440.887 1.877 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCN(C)CC3)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086363 568948605 /nfs/dbraw/zinc/94/86/05/568948605.db2.gz BNXJAGPFEBDUIG-UHFFFAOYSA-N 0 0 447.539 1.755 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccccc3C)c2=O)cc1C ZINC000036086384 568948624 /nfs/dbraw/zinc/94/86/24/568948624.db2.gz PPUVGVMYOVYDBC-UHFFFAOYSA-N 0 0 434.496 1.840 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086587 568949030 /nfs/dbraw/zinc/94/90/30/568949030.db2.gz ABZSWKANDFQTCA-UHFFFAOYSA-N 0 0 437.475 1.278 50 0 IDAARN Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(C)c3)c2=O)cc1 ZINC000036086656 568949064 /nfs/dbraw/zinc/94/90/64/568949064.db2.gz YHOBATVGLUWIPC-HXUWFJFHSA-N 0 0 434.496 1.968 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000036087156 568949309 /nfs/dbraw/zinc/94/93/09/568949309.db2.gz MQCJZSUEWGVAQU-UHFFFAOYSA-N 0 0 426.448 1.976 50 0 IDAARN CCCn1c(=O)c(C(=O)N2CCC(C(=O)OCC)CC2)nn(-c2cccc(C)c2)c1=O ZINC000036087129 568949344 /nfs/dbraw/zinc/94/93/44/568949344.db2.gz LGCVJCFTLYWTNI-UHFFFAOYSA-N 0 0 428.489 1.528 50 0 IDAARN COc1cccc(Cn2c(=O)c(C(=O)NCC(C)C)nn(-c3cccc(OC)c3)c2=O)c1 ZINC000036087708 568949679 /nfs/dbraw/zinc/94/96/79/568949679.db2.gz ASYXZCZJEHEJIF-UHFFFAOYSA-N 0 0 438.484 1.846 50 0 IDAARN CC[C@@H](C)NC(=O)c1nn(-c2cccc(OC)c2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036087713 568949781 /nfs/dbraw/zinc/94/97/81/568949781.db2.gz QBMKRIKLCYDKEX-OAHLLOKOSA-N 0 0 438.484 1.988 50 0 IDAARN COCCCNC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036094081 568950807 /nfs/dbraw/zinc/95/08/07/568950807.db2.gz VLXCSTFPULQKBU-UHFFFAOYSA-N 0 0 440.475 1.965 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccs2)cn1C ZINC000064819031 568965863 /nfs/dbraw/zinc/96/58/63/568965863.db2.gz SXUUCZOBBORRED-OAHLLOKOSA-N 0 0 425.532 1.733 50 0 IDAARN COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000064837133 568969462 /nfs/dbraw/zinc/96/94/62/568969462.db2.gz UJSAXGVXDDYNLI-UHFFFAOYSA-N 0 0 426.498 1.956 50 0 IDAARN O=C(c1cc(=O)nc2sc(N3CCCC3)nn21)N1CCN(c2ccccc2F)CC1 ZINC000064837006 568969494 /nfs/dbraw/zinc/96/94/94/568969494.db2.gz JFJMXLPCUWHCEE-UHFFFAOYSA-N 0 0 428.493 1.853 50 0 IDAARN CCOC[C@H](O)CN(CCCOC)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000036206685 568972898 /nfs/dbraw/zinc/97/28/98/568972898.db2.gz FMLBKVRXFIVWFD-CQSZACIVSA-N 0 0 441.550 1.706 50 0 IDAARN COCC(=O)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)NCC(C)C)CC1 ZINC000036211403 568975304 /nfs/dbraw/zinc/97/53/04/568975304.db2.gz UEYIFLPLIGZJSZ-HXUWFJFHSA-N 0 0 433.505 1.171 50 0 IDAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)COC)CC1 ZINC000036211366 568975351 /nfs/dbraw/zinc/97/53/51/568975351.db2.gz NZJXWVKVWRBYSI-FQEVSTJZSA-N 0 0 433.505 1.267 50 0 IDAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)COC)CC1 ZINC000036211551 568975447 /nfs/dbraw/zinc/97/54/47/568975447.db2.gz OFHNNPYTEHWQEP-JLTOFOAXSA-N 0 0 433.505 1.313 50 0 IDAARN CCC(=O)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1 ZINC000036211717 568975623 /nfs/dbraw/zinc/97/56/23/568975623.db2.gz YXTPERVUZKFAQG-FQEVSTJZSA-N 0 0 431.489 1.021 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)NC(C)C)CC1 ZINC000036214337 568977227 /nfs/dbraw/zinc/97/72/27/568977227.db2.gz MHYMLDAZFBOOTG-LJQANCHMSA-N 0 0 448.520 1.106 50 0 IDAARN CCCCN(CC)C(=O)CCc1nc(-c2nn(-c3ccc(F)cc3)c(=O)n(C)c2=O)no1 ZINC000064888275 568979488 /nfs/dbraw/zinc/97/94/88/568979488.db2.gz GLHKYENYYBMREM-UHFFFAOYSA-N 0 0 444.467 1.702 50 0 IDAARN CCCN(CCC)C(=O)CCc1nc(-c2nn(-c3ccccc3)c(=O)n(C)c2=O)no1 ZINC000064888270 568979509 /nfs/dbraw/zinc/97/95/09/568979509.db2.gz GOLVVAPNBXKYBA-UHFFFAOYSA-N 0 0 426.477 1.562 50 0 IDAARN CC(C)CCNC(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)no1 ZINC000064888378 568979567 /nfs/dbraw/zinc/97/95/67/568979567.db2.gz RSRUJUPCJPXKKD-UHFFFAOYSA-N 0 0 446.895 1.730 50 0 IDAARN O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCC2(CC1)OCCO2 ZINC000064888906 568979743 /nfs/dbraw/zinc/97/97/43/568979743.db2.gz VXUZVOSJCVAJBB-UHFFFAOYSA-N 0 0 448.545 1.576 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000064889314 568979886 /nfs/dbraw/zinc/97/98/86/568979886.db2.gz LJUCICDOABEORT-UHFFFAOYSA-N 0 0 442.545 1.421 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000064889325 568979894 /nfs/dbraw/zinc/97/98/94/568979894.db2.gz FOTQGFUCIIQIPO-UHFFFAOYSA-N 0 0 445.501 1.887 50 0 IDAARN COc1cccc(CNC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 ZINC000064889203 568980281 /nfs/dbraw/zinc/98/02/81/568980281.db2.gz FBAAMKCTXFFPTC-UHFFFAOYSA-N 0 0 443.529 1.931 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 ZINC000064889593 568980381 /nfs/dbraw/zinc/98/03/81/568980381.db2.gz AIUZUGIODAJULI-UHFFFAOYSA-N 0 0 429.498 1.781 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 ZINC000064889595 568980472 /nfs/dbraw/zinc/98/04/72/568980472.db2.gz DSJGGZMXVIIIJE-UHFFFAOYSA-N 0 0 445.497 1.481 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3ccccc3)CC1)O[C@H](C)C(=O)N2 ZINC000064889755 568980576 /nfs/dbraw/zinc/98/05/76/568980576.db2.gz ZXUXSHJOILRCQC-OAHLLOKOSA-N 0 0 429.498 1.861 50 0 IDAARN CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000064889890 568980633 /nfs/dbraw/zinc/98/06/33/568980633.db2.gz QGGNUMSBKCZETM-UHFFFAOYSA-N 0 0 444.513 1.230 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c(C)c1 ZINC000064889902 568980643 /nfs/dbraw/zinc/98/06/43/568980643.db2.gz VFICMQFXKUPAKL-UHFFFAOYSA-N 0 0 429.498 1.781 50 0 IDAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2NC1=O ZINC000064890211 568981135 /nfs/dbraw/zinc/98/11/35/568981135.db2.gz WLNATXLQSMUYPY-SFHVURJKSA-N 0 0 429.498 1.943 50 0 IDAARN O=C(CCn1nc(C(=O)N2CCc3ccccc32)ccc1=O)NCc1ccc2c(c1)OCO2 ZINC000064891655 568982769 /nfs/dbraw/zinc/98/27/69/568982769.db2.gz UZIRUWPKTHBLDD-UHFFFAOYSA-N 0 0 446.463 1.881 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000036250372 568983826 /nfs/dbraw/zinc/98/38/26/568983826.db2.gz FWJQISXMNQQVPP-JOCHJYFZSA-N 0 0 444.551 1.833 50 0 IDAARN COCCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036253105 568984317 /nfs/dbraw/zinc/98/43/17/568984317.db2.gz BCFJGYRDMDVTLU-NRFANRHFSA-N 0 0 431.533 1.885 50 0 IDAARN CC(C)CN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(F)c1 ZINC000169678477 568990017 /nfs/dbraw/zinc/99/00/17/568990017.db2.gz VCYVURNTRAITMQ-FCHUYYIVSA-N 0 0 437.556 1.318 50 0 IDAARN CC(C)[C@@H](O)CN1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000169680479 568991657 /nfs/dbraw/zinc/99/16/57/568991657.db2.gz NNRXMCVLIFZRRB-YADHBBJMSA-N 0 0 437.556 1.318 50 0 IDAARN O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccc2c(c1)OCCO2 ZINC000064943034 568992457 /nfs/dbraw/zinc/99/24/57/568992457.db2.gz IOXOZCIJKUTVIN-UHFFFAOYSA-N 0 0 427.438 1.486 50 0 IDAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)N3CCCC3)c2C(=O)N1C1CC1 ZINC000064954070 568997733 /nfs/dbraw/zinc/99/77/33/568997733.db2.gz OMHRQNCPFVQRHW-QHCPKHFHSA-N 0 0 439.491 1.952 50 0 IDAARN C[C@]1(C(=O)NCc2ccccc2)Cn2cnc(C(=O)N3CCOCC3)c2C(=O)N1C1CC1 ZINC000064953807 568997776 /nfs/dbraw/zinc/99/77/76/568997776.db2.gz WUZKKYFWCSZPFW-HSZRJFAPSA-N 0 0 437.500 1.049 50 0 IDAARN COCCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954129 568997851 /nfs/dbraw/zinc/99/78/51/568997851.db2.gz YIPXDXMUVIDJPO-JOCHJYFZSA-N 0 0 443.479 1.092 50 0 IDAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NC3CC3)c2C(=O)N1C1CC1 ZINC000064954810 568998198 /nfs/dbraw/zinc/99/81/98/568998198.db2.gz AYUASLRVEALQOA-HSZRJFAPSA-N 0 0 437.500 1.477 50 0 IDAARN COc1ccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)c(OC)c1 ZINC000064956781 568998908 /nfs/dbraw/zinc/99/89/08/568998908.db2.gz PGRRYNNIJYAFIU-UHFFFAOYSA-N 0 0 448.505 1.521 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H]3Nc4cc(C)ccc4S(=O)(=O)N3)CC2)cc1 ZINC000064959895 569000060 /nfs/dbraw/zinc/00/00/60/569000060.db2.gz LGYNKEQTAZODIP-FQEVSTJZSA-N 0 0 428.514 1.576 50 0 IDAARN O=C(CN1c2cc(S(=O)(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O)NC1CC1 ZINC000064966585 569001374 /nfs/dbraw/zinc/00/13/74/569001374.db2.gz MZQAQWKPCMTDCP-SFHVURJKSA-N 0 0 432.546 1.455 50 0 IDAARN Cc1nc(C)c(Cc2ccccc2)c(N2CCN(C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000036340441 569078671 /nfs/dbraw/zinc/07/86/71/569078671.db2.gz INHRSOUVDFZILH-QFIPXVFZSA-N 0 0 425.577 1.499 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036347179 569081781 /nfs/dbraw/zinc/08/17/81/569081781.db2.gz NWANYUBRYTXFSQ-OAQYLSRUSA-N 0 0 447.532 1.561 50 0 IDAARN O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000036354045 569084065 /nfs/dbraw/zinc/08/40/65/569084065.db2.gz 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CCn1c2c(ccn2CC(=O)N2CCN(c3ccc(C)cc3C)CC2)c(=O)n(CC)c1=O ZINC000065030866 569091333 /nfs/dbraw/zinc/09/13/33/569091333.db2.gz XEQBMABLAMFJMJ-UHFFFAOYSA-N 0 0 437.544 1.970 50 0 IDAARN CCn1c2c(ccn2CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(=O)n(CC)c1=O ZINC000065030797 569091350 /nfs/dbraw/zinc/09/13/50/569091350.db2.gz XAHOLUAAFWDIOA-UHFFFAOYSA-N 0 0 430.461 1.669 50 0 IDAARN Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccco4)CC3)ccc21 ZINC000065032653 569091559 /nfs/dbraw/zinc/09/15/59/569091559.db2.gz JFFVDSPKHHIIQP-QPJJXVBHSA-N 0 0 433.511 1.739 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(SCC(=O)NCCc3ccccc3)nc2)CC1 ZINC000036386212 569092846 /nfs/dbraw/zinc/09/28/46/569092846.db2.gz ZYNJGYACXLMQDS-UHFFFAOYSA-N 0 0 434.587 1.469 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)NCCc1cccs1 ZINC000036386006 569092896 /nfs/dbraw/zinc/09/28/96/569092896.db2.gz RKYMXIMGXMWMLH-UHFFFAOYSA-N 0 0 433.599 1.902 50 0 IDAARN O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)NCc1ccc2c(c1)OCO2 ZINC000169752537 569093287 /nfs/dbraw/zinc/09/32/87/569093287.db2.gz HNNPXDGVYLMIHJ-UHFFFAOYSA-N 0 0 432.436 1.700 50 0 IDAARN Cn1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057058 569095032 /nfs/dbraw/zinc/09/50/32/569095032.db2.gz LIECANINCWOYQC-AWEZNQCLSA-N 0 0 429.864 1.106 50 0 IDAARN CCn1c(=O)n(CC(=O)N2CCN(C)CC2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065056964 569095050 /nfs/dbraw/zinc/09/50/50/569095050.db2.gz CCDZSPAPBSSNMY-UHFFFAOYSA-N 0 0 442.907 1.068 50 0 IDAARN CCn1c2nc(-c3ccccc3)ncc2c(=O)n(CC(=O)NCCCOC(C)C)c1=O ZINC000065057283 569095090 /nfs/dbraw/zinc/09/50/90/569095090.db2.gz WSFOWRUJMVSLNS-UHFFFAOYSA-N 0 0 425.489 1.571 50 0 IDAARN CCn1c2nc(-c3ccccc3)ncc2c(=O)n(CC(=O)NCc2ccc(OC)cc2)c1=O ZINC000065057290 569095096 /nfs/dbraw/zinc/09/50/96/569095096.db2.gz GBMKOLUCURYIHO-UHFFFAOYSA-N 0 0 445.479 1.965 50 0 IDAARN CCOC(=O)C(NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)OCC ZINC000036395840 569098817 /nfs/dbraw/zinc/09/88/17/569098817.db2.gz ULHDLOOTGZTKSS-NSHDSACASA-N 0 0 441.278 1.413 50 0 IDAARN C[C@H](NC(=O)COc1ccccc1)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036396343 569098917 /nfs/dbraw/zinc/09/89/17/569098917.db2.gz LGZQORCTJMLMMK-SFHVURJKSA-N 0 0 448.564 1.629 50 0 IDAARN CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccco4)CC3)ccc21 ZINC000065075866 569099881 /nfs/dbraw/zinc/09/98/81/569099881.db2.gz KZAZBAIAIRQMSM-VMPITWQZSA-N 0 0 431.470 1.754 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(C)cc4)CC3)cc2oc1=O ZINC000065075871 569099926 /nfs/dbraw/zinc/09/99/26/569099926.db2.gz HETZPLNDFKDIKF-UHFFFAOYSA-N 0 0 443.525 1.998 50 0 IDAARN Cc1nc(CSCC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)no1 ZINC000036397883 569100985 /nfs/dbraw/zinc/10/09/85/569100985.db2.gz AQBHLTMERWRPFN-UHFFFAOYSA-N 0 0 429.524 1.139 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccnn1C1CCCC1 ZINC000036398803 569101584 /nfs/dbraw/zinc/10/15/84/569101584.db2.gz OEDPINHFCAHVQK-UHFFFAOYSA-N 0 0 438.598 1.675 50 0 IDAARN O=C(NCCn1c2ccccc2[nH]c(=O)c1=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000169774368 569102059 /nfs/dbraw/zinc/10/20/59/569102059.db2.gz IXPTYNAWJKHLKR-CYBMUJFWSA-N 0 0 432.440 1.148 50 0 IDAARN Cc1cn2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2c(N2CCCC2)n1 ZINC000169780177 569102957 /nfs/dbraw/zinc/10/29/57/569102957.db2.gz VHSGEEWFQKZJOS-UHFFFAOYSA-N 0 0 428.518 1.258 50 0 IDAARN CCOCCCNC(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000065085842 569103227 /nfs/dbraw/zinc/10/32/27/569103227.db2.gz YJSJJJYIJIYEAQ-UHFFFAOYSA-N 0 0 439.534 1.465 50 0 IDAARN Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)NCc1ccco1 ZINC000065097711 569104037 /nfs/dbraw/zinc/10/40/37/569104037.db2.gz VYXWUJDVXOMRBV-UHFFFAOYSA-N 0 0 438.487 1.650 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)[C@H]4COc5ccccc5O4)C[C@@H](C2)O3)cc1 ZINC000169783232 569104092 /nfs/dbraw/zinc/10/40/92/569104092.db2.gz ARPHPURNUFHLQD-LLGFUMIMSA-N 0 0 444.509 1.435 50 0 IDAARN CC[C@@H](C)NC(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O ZINC000065101363 569105380 /nfs/dbraw/zinc/10/53/80/569105380.db2.gz NQPBZJYVOXQSSU-GFCCVEGCSA-N 0 0 432.550 1.263 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1 ZINC000065117505 569107622 /nfs/dbraw/zinc/10/76/22/569107622.db2.gz LLACHCWJLPQOEN-UHFFFAOYSA-N 0 0 433.417 1.884 50 0 IDAARN O=C(C1CCN(c2cnc(N3CCSCC3)nc2)CC1)N1CCC2(CC1)OCCO2 ZINC000065166807 569112591 /nfs/dbraw/zinc/11/25/91/569112591.db2.gz ANHXLBILCSJVRI-UHFFFAOYSA-N 0 0 433.578 1.612 50 0 biogenic IDAARN CCOc1cc(=O)c(C(=O)N2CCN(c3ccccn3)CC2)nn1-c1ccc(OC)cc1 ZINC000065198373 569114984 /nfs/dbraw/zinc/11/49/84/569114984.db2.gz NRTTTWAULSCHOJ-UHFFFAOYSA-N 0 0 435.484 1.997 50 0 IDAARN COc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)[C@H](C)Oc4ccccc4)C[C@@H](C2)O3)cc1 ZINC000065225117 569117724 /nfs/dbraw/zinc/11/77/24/569117724.db2.gz RRBVGXIOHWBRAA-FFZOFVMBSA-N 0 0 446.525 1.763 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)[C@@H]4COc5ccccc5O4)C[C@@H](C2)O3)cc1 ZINC000065225087 569117777 /nfs/dbraw/zinc/11/77/77/569117777.db2.gz ARPHPURNUFHLQD-FVJLSDCUSA-N 0 0 444.509 1.435 50 0 IDAARN COCCNC(=O)[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000036576588 569118470 /nfs/dbraw/zinc/11/84/70/569118470.db2.gz HGRLBDKUJRMARY-KLAILNCOSA-N 0 0 425.551 1.039 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1F)C(=O)OC ZINC000036569632 569118398 /nfs/dbraw/zinc/11/83/98/569118398.db2.gz DZFMOJLTSIXPFE-KDOFPFPSSA-N 0 0 436.415 1.840 50 0 IDAARN CCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036594764 569121230 /nfs/dbraw/zinc/12/12/30/569121230.db2.gz ZTEKJIVUCSMFLC-RTBURBONSA-N 0 0 428.620 1.561 50 0 IDAARN CCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)cn21 ZINC000065247310 569121913 /nfs/dbraw/zinc/12/19/13/569121913.db2.gz WMWBFALIUFXIGC-UHFFFAOYSA-N 0 0 431.518 1.716 50 0 IDAARN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)C1)C(=O)N2C ZINC000065249426 569122017 /nfs/dbraw/zinc/12/20/17/569122017.db2.gz NMCROHMEGKBACF-JOCHJYFZSA-N 0 0 441.509 1.523 50 0 biogenic IDAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036615104 569122406 /nfs/dbraw/zinc/12/24/06/569122406.db2.gz FFNFYHBTMHARRV-UHFFFAOYSA-N 0 0 448.517 1.899 50 0 IDAARN CCN1CCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cn3)cn2)CC1 ZINC000065254364 569122609 /nfs/dbraw/zinc/12/26/09/569122609.db2.gz ZFXADOMMMUBJRO-QGZVFWFLSA-N 0 0 446.577 1.466 50 0 IDAARN CC[NH+]1CCN(Cc2ccc([N-]S(=O)(=O)c3cc4n(c3)CCCNC4=O)cc2)CC1 ZINC000065258707 569124573 /nfs/dbraw/zinc/12/45/73/569124573.db2.gz QIGXXLICSNLFCL-UHFFFAOYSA-N 0 0 431.562 1.560 50 0 IDAARN COc1cc2ncn(CC(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)c(=O)c2cc1OC ZINC000524731711 569126636 /nfs/dbraw/zinc/12/66/36/569126636.db2.gz IGKOOIADSZKOFQ-RVKKMQEKSA-N 0 0 440.500 1.273 50 0 biogenic IDAARN CC(=O)N1CC(=O)[C@@H]([C@@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])c2cccnc2)C1=O ZINC000524732790 569126915 /nfs/dbraw/zinc/12/69/15/569126915.db2.gz NYKSQASWADIOKX-VXKWHMMOSA-N 0 0 432.480 1.888 50 0 IDAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1ccc(S(N)(=O)=O)cc1 ZINC000524734355 569127645 /nfs/dbraw/zinc/12/76/45/569127645.db2.gz VUUFRZPARXXBOD-CDXJDZJCSA-N 0 0 429.498 1.103 50 0 IDAARN CSCC[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734490 569127769 /nfs/dbraw/zinc/12/77/69/569127769.db2.gz KEBGQDIQOFUGID-ZDUSSCGKSA-N 0 0 433.515 1.519 50 0 IDAARN COCCn1cnc2ccc(NC(=O)C[C@H](c3ccsc3)n3cnnn3)cc2c1=O ZINC000524735386 569128118 /nfs/dbraw/zinc/12/81/18/569128118.db2.gz ZFJUKIKWIGFCQK-QGZVFWFLSA-N 0 0 425.474 1.709 50 0 IDAARN C=C1C(N2CCC(NC(=O)NCCC(=O)OCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271792 569128606 /nfs/dbraw/zinc/12/86/06/569128606.db2.gz YAMJAHXYURULLO-UHFFFAOYSA-N 0 0 448.545 1.876 50 0 IDAARN C=C1C(N2CCC(NC(=O)NCCC(=O)OC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271800 569128612 /nfs/dbraw/zinc/12/86/12/569128612.db2.gz QQGHZJYKJYJNCC-UHFFFAOYSA-N 0 0 434.518 1.486 50 0 IDAARN C=C1C(N2CCCN(C(=O)N[C@H](C)C(=O)OC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271907 569128684 /nfs/dbraw/zinc/12/86/84/569128684.db2.gz MRIXZJUZIKYIMQ-OAHLLOKOSA-N 0 0 434.518 1.438 50 0 IDAARN C=C1C(N2CCC(NS(=O)(=O)c3cccnc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271892 569128743 /nfs/dbraw/zinc/12/87/43/569128743.db2.gz GMDGKXXCKZYPEW-UHFFFAOYSA-N 0 0 446.554 1.997 50 0 IDAARN Cn1cc2c(n1)nc(C(=O)NCCN1CCc3ccccc3C1)nc2N1CCSCC1 ZINC000065284444 569130152 /nfs/dbraw/zinc/13/01/52/569130152.db2.gz ZPVKLEQATNERFM-UHFFFAOYSA-N 0 0 437.573 1.705 50 0 IDAARN COc1ccc(CC(=O)N2CCN(c3nc4ccncc4n(C)c3=O)CC2)c(Cl)c1 ZINC000065292700 569130690 /nfs/dbraw/zinc/13/06/90/569130690.db2.gz CXWIANZYSXOOSS-UHFFFAOYSA-N 0 0 427.892 1.882 50 0 IDAARN CC[C@]1(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292211 569130732 /nfs/dbraw/zinc/13/07/32/569130732.db2.gz PXSQGXGQNZEBNW-SFHVURJKSA-N 0 0 433.571 1.255 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN([C@@]3(CC)CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000065292215 569130786 /nfs/dbraw/zinc/13/07/86/569130786.db2.gz WRLMOSNLIQLOGK-IBGZPJMESA-N 0 0 445.607 1.206 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCCCCC4)ccn3c2=O)c(OC)c1 ZINC000065307936 569132675 /nfs/dbraw/zinc/13/26/75/569132675.db2.gz VNRKOZWXWYTBCS-UHFFFAOYSA-N 0 0 426.477 1.927 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCC[C@H](C)C4)ccn3c2=O)c(OC)c1 ZINC000065307974 569132729 /nfs/dbraw/zinc/13/27/29/569132729.db2.gz PUGJTUCQNOCEAN-AWEZNQCLSA-N 0 0 426.477 1.783 50 0 IDAARN Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)N(C)Cc1ccco1 ZINC000065319062 569134616 /nfs/dbraw/zinc/13/46/16/569134616.db2.gz SQSVZIVHRBCSQW-UHFFFAOYSA-N 0 0 446.485 1.931 50 0 IDAARN Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000065319016 569134699 /nfs/dbraw/zinc/13/46/99/569134699.db2.gz FPQABMJTAMQOMU-UHFFFAOYSA-N 0 0 434.518 1.938 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)N2CCOCC2)CC1 ZINC000065314796 569135602 /nfs/dbraw/zinc/13/56/02/569135602.db2.gz DAHMDIGWPPHCPY-UHFFFAOYSA-N 0 0 449.573 1.590 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000036701447 569135604 /nfs/dbraw/zinc/13/56/04/569135604.db2.gz OLKFMRMEYGNXJY-UHFFFAOYSA-N 0 0 432.437 1.893 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc3ncn(Cc4ccccc4)c(=O)c3c2)cn1 ZINC000065321084 569136406 /nfs/dbraw/zinc/13/64/06/569136406.db2.gz OLUJQEMDKPOQIF-UHFFFAOYSA-N 0 0 435.465 1.740 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)cc1 ZINC000065330742 569137024 /nfs/dbraw/zinc/13/70/24/569137024.db2.gz XMYHMBDZUPFHNH-HNNXBMFYSA-N 0 0 445.570 1.914 50 0 IDAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)c1C ZINC000238838610 569137300 /nfs/dbraw/zinc/13/73/00/569137300.db2.gz HHXQDOQQSINAKV-UHFFFAOYSA-N 0 0 440.591 1.739 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000238873255 569137629 /nfs/dbraw/zinc/13/76/29/569137629.db2.gz NKLMDQCLVCDKRD-UHFFFAOYSA-N 0 0 434.547 1.578 50 0 IDAARN CNC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000036821940 569138252 /nfs/dbraw/zinc/13/82/52/569138252.db2.gz QTKGIZWQBLAKJQ-IBGZPJMESA-N 0 0 444.557 1.357 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)N1CCC[C@H]1C(N)=O ZINC000239306271 569138959 /nfs/dbraw/zinc/13/89/59/569138959.db2.gz GQMGPKYVBVSMLI-QEOTZNIISA-N 0 0 440.585 1.933 50 0 IDAARN Cn1nc(Br)c2c1ncn(CC(=O)NCc1ccc(-n3cccn3)cc1)c2=O ZINC000065551880 569139571 /nfs/dbraw/zinc/13/95/71/569139571.db2.gz QBUQLLLUULOLPN-UHFFFAOYSA-N 0 0 442.277 1.395 50 0 IDAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 ZINC000065584891 569139980 /nfs/dbraw/zinc/13/99/80/569139980.db2.gz ZBMSLDFFODDXOC-LLVKDONJSA-N 0 0 432.428 1.832 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)OC ZINC000007402954 569140083 /nfs/dbraw/zinc/14/00/83/569140083.db2.gz CEGPBAXRSWZXAA-AFIMGQEJSA-N 0 0 426.535 1.802 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000007425567 569140199 /nfs/dbraw/zinc/14/01/99/569140199.db2.gz UTGMBHRCKXNUEY-MRXNPFEDSA-N 0 0 427.505 1.408 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)cn1C ZINC000240104309 569140695 /nfs/dbraw/zinc/14/06/95/569140695.db2.gz UPMKGMZWFLODPQ-UHFFFAOYSA-N 0 0 448.517 1.233 50 0 IDAARN CCN(CCC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170591769 569140977 /nfs/dbraw/zinc/14/09/77/569140977.db2.gz CKUJFLKQVIRCOB-SJLPKXTDSA-N 0 0 443.548 1.196 50 0 IDAARN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000170591889 569141036 /nfs/dbraw/zinc/14/10/36/569141036.db2.gz KDVSOGNZGNIXIC-BBTUJRGHSA-N 0 0 437.562 1.363 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2cncnc2)C(C)C)c1 ZINC000170596823 569141770 /nfs/dbraw/zinc/14/17/70/569141770.db2.gz DZYXENFJTNVRAL-SFHVURJKSA-N 0 0 433.534 1.900 50 0 IDAARN COC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC)c(O)c1 ZINC000170598335 569142287 /nfs/dbraw/zinc/14/22/87/569142287.db2.gz GUZUOKFPHVWWLV-LJQANCHMSA-N 0 0 448.497 1.829 50 0 IDAARN COC(=O)[C@@H](CS(=O)(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1 ZINC000170603700 569143614 /nfs/dbraw/zinc/14/36/14/569143614.db2.gz SOHXCDIRPFKHMN-OALUTQOASA-N 0 0 436.530 1.838 50 0 IDAARN COC(=O)[C@H](CS(=O)(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1 ZINC000170603701 569143691 /nfs/dbraw/zinc/14/36/91/569143691.db2.gz SOHXCDIRPFKHMN-RTBURBONSA-N 0 0 436.530 1.838 50 0 IDAARN Cn1c2nc(N3CCCCC3)n(C[C@H](O)COc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000170624395 569148012 /nfs/dbraw/zinc/14/80/12/569148012.db2.gz VKILOFVYLCXEPC-ZDUSSCGKSA-N 0 0 433.896 1.507 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000170624415 569148140 /nfs/dbraw/zinc/14/81/40/569148140.db2.gz PHIVOQXRPOJMTC-MRXNPFEDSA-N 0 0 438.488 1.228 50 0 IDAARN Cc1ccc(-n2ncc3c2nc(N[C@@H]2CCS(=O)(=O)C2)nc3N2CCOCC2)cc1 ZINC000071195148 569149570 /nfs/dbraw/zinc/14/95/70/569149570.db2.gz XPHSCEBUIVFKIG-OAHLLOKOSA-N 0 0 428.518 1.560 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2nc(N3CCSCC3)ccc2=O)CC1 ZINC000071285351 569150905 /nfs/dbraw/zinc/15/09/05/569150905.db2.gz OEANKIYPGWHUKX-UHFFFAOYSA-N 0 0 429.546 1.154 50 0 IDAARN Nc1nc(CSc2nnc([C@@H]3CCS(=O)(=O)C3)o2)nc(Nc2ccc(F)cc2)n1 ZINC000010026992 569151677 /nfs/dbraw/zinc/15/16/77/569151677.db2.gz BQHFFSUIDMYRTK-SECBINFHSA-N 0 0 437.482 1.914 50 0 IDAARN COc1ccc([C@H](CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)N2CCOCC2)cc1 ZINC000010027133 569151683 /nfs/dbraw/zinc/15/16/83/569151683.db2.gz BOTCZPUZHUIGLK-ACRUOGEOSA-N 0 0 441.528 1.526 50 0 IDAARN COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1 ZINC000010219693 569153850 /nfs/dbraw/zinc/15/38/50/569153850.db2.gz IIYJVRGPSHPASS-UHFFFAOYSA-N 0 0 440.481 1.564 50 0 IDAARN COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CSc2nccn2C)cc1=O ZINC000010254710 569154206 /nfs/dbraw/zinc/15/42/06/569154206.db2.gz SXQTXTHEZXTOCR-UHFFFAOYSA-N 0 0 442.497 1.928 50 0 IDAARN CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000010385985 569154435 /nfs/dbraw/zinc/15/44/35/569154435.db2.gz UKPQUWANMCBFBY-TZMCWYRMSA-N 0 0 435.912 1.737 50 0 IDAARN CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000010385766 569154475 /nfs/dbraw/zinc/15/44/75/569154475.db2.gz BLCBPCTYBRAKEW-OAHLLOKOSA-N 0 0 445.520 1.484 50 0 IDAARN CCc1cccc(OC[C@@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)c1 ZINC000010385062 569154580 /nfs/dbraw/zinc/15/45/80/569154580.db2.gz IHTPDGQMMUGXEU-KRWDZBQOSA-N 0 0 441.532 1.426 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cn(C)nc3OC)n2CC)CC1 ZINC000013574578 569155810 /nfs/dbraw/zinc/15/58/10/569155810.db2.gz AKFWWYOXUJLBAZ-UHFFFAOYSA-N 0 0 437.526 1.100 50 0 IDAARN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000013728343 569156923 /nfs/dbraw/zinc/15/69/23/569156923.db2.gz CYXHWLWGOUGUOI-UHFFFAOYSA-N 0 0 425.488 1.025 50 0 IDAARN COc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN(S(C)(=O)=O)C4)CC3)sc2c1 ZINC000013790540 569157003 /nfs/dbraw/zinc/15/70/03/569157003.db2.gz XLRTXVQTSVWEIG-AWEZNQCLSA-N 0 0 438.575 1.625 50 0 IDAARN O=C(Nn1cnc2ccccc2c1=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000014044072 569157590 /nfs/dbraw/zinc/15/75/90/569157590.db2.gz VXLLGHQDEBFNSE-HNNXBMFYSA-N 0 0 428.470 1.238 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nc1N ZINC000014636835 569159868 /nfs/dbraw/zinc/15/98/68/569159868.db2.gz PCHCGQUPCNZAPY-CYBMUJFWSA-N 0 0 442.563 1.286 50 0 IDAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@H]4OCCN(C)[C@@H]4C3)ccc2C)cc1 ZINC000089651307 569160628 /nfs/dbraw/zinc/16/06/28/569160628.db2.gz DNJALXHLHKTVCD-WOJBJXKFSA-N 0 0 445.541 1.959 50 0 IDAARN C[C@@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000016818730 569162427 /nfs/dbraw/zinc/16/24/27/569162427.db2.gz JOEADMBMMRNAFS-GFCCVEGCSA-N 0 0 433.515 1.386 50 0 IDAARN CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(C(C)=O)CC2)cc1 ZINC000016837643 569162667 /nfs/dbraw/zinc/16/26/67/569162667.db2.gz TXVZESKKVBTUPX-UHFFFAOYSA-N 0 0 426.517 1.722 50 0 IDAARN CC(C)N(C(=O)Cn1cnc2c(cnn2[C@@H]2CCS(=O)(=O)C2)c1=O)c1ccccc1 ZINC000016849861 569164648 /nfs/dbraw/zinc/16/46/48/569164648.db2.gz UPQGHNGWXBGVTI-MRXNPFEDSA-N 0 0 429.502 1.394 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1 ZINC000016851199 569164987 /nfs/dbraw/zinc/16/49/87/569164987.db2.gz DUWPKOVJTYXEMW-UHFFFAOYSA-N 0 0 433.490 1.317 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCC2N=NC(=S)N2Cc2ccccc2)cc1 ZINC000016913765 569165912 /nfs/dbraw/zinc/16/59/12/569165912.db2.gz YRBQPXCDUFUKDW-UHFFFAOYSA-N 0 0 431.543 1.795 50 0 IDAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)N1CCCC1=O ZINC000089861184 569166141 /nfs/dbraw/zinc/16/61/41/569166141.db2.gz OWBBEZDPSKJAEQ-UHFFFAOYSA-N 0 0 442.493 1.739 50 0 IDAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O ZINC000089917193 569167440 /nfs/dbraw/zinc/16/74/40/569167440.db2.gz LXYQEFQGXDKTGN-SFHVURJKSA-N 0 0 428.246 1.979 50 0 IDAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000016959552 569167871 /nfs/dbraw/zinc/16/78/71/569167871.db2.gz CMEWIBYTTCQAOM-UHFFFAOYSA-N 0 0 429.454 1.470 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)NCc3nnnn3-c3ccc(F)c(F)c3)CC2=O)c1 ZINC000016960371 569168066 /nfs/dbraw/zinc/16/80/66/569168066.db2.gz UATGDOZZZAPCCD-GFCCVEGCSA-N 0 0 428.399 1.618 50 0 IDAARN O=c1c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2occ1-c1ccc(Cl)cc1 ZINC000002132605 569175108 /nfs/dbraw/zinc/17/51/08/569175108.db2.gz PIIJBWCFNYXGGN-RQUKQETFSA-N 0 0 434.828 1.292 50 0 biogenic IDAARN COc1cccc(-c2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc3nn(C)c(N)c32)c1 ZINC000037360541 569181463 /nfs/dbraw/zinc/18/14/63/569181463.db2.gz TZYJYWJJSKKFBF-MRXNPFEDSA-N 0 0 437.504 1.449 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000027158748 569182553 /nfs/dbraw/zinc/18/25/53/569182553.db2.gz ZHDIREWKAOOZSR-QGZVFWFLSA-N 0 0 431.514 1.665 50 0 IDAARN Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000002130497 569184901 /nfs/dbraw/zinc/18/49/01/569184901.db2.gz FKWBHSUGFQMCEU-BKJGLDIHSA-N 0 0 433.464 1.780 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000002132002 569185034 /nfs/dbraw/zinc/18/50/34/569185034.db2.gz CNUXTOQYWCNBPK-SAQZZPNQSA-N 0 0 425.485 1.913 50 0 biogenic IDAARN C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000010385485 569188378 /nfs/dbraw/zinc/18/83/78/569188378.db2.gz IJFOBQWRHHJLIO-ZFWWWQNUSA-N 0 0 447.923 1.753 50 0 IDAARN CCCC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2NC1=O ZINC000252509762 569188622 /nfs/dbraw/zinc/18/86/22/569188622.db2.gz YUXMBZQBZXVOIN-SFHVURJKSA-N 0 0 431.518 1.877 50 0 IDAARN Cn1cnc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000524734838 569188730 /nfs/dbraw/zinc/18/87/30/569188730.db2.gz QYCUGBRDCFMYDH-NRFANRHFSA-N 0 0 430.468 1.679 50 0 biogenic IDAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)CCSC)C2=O)cc1OC ZINC000252518118 569189302 /nfs/dbraw/zinc/18/93/02/569189302.db2.gz AAZIOVLUOKHVBB-CABCVRRESA-N 0 0 439.534 1.339 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N[C@H](CO)CCSC)C2=O)cc1OC ZINC000252518120 569189355 /nfs/dbraw/zinc/18/93/55/569189355.db2.gz AAZIOVLUOKHVBB-LSDHHAIUSA-N 0 0 439.534 1.339 50 0 IDAARN CC[C@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000252536232 569189927 /nfs/dbraw/zinc/18/99/27/569189927.db2.gz HXIRDDSEBDDGHL-BHYGNILZSA-N 0 0 435.521 1.675 50 0 IDAARN O=C(C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCCN1CCOCC1 ZINC000252537994 569190152 /nfs/dbraw/zinc/19/01/52/569190152.db2.gz MNFRSXDANMORJN-LJQANCHMSA-N 0 0 427.505 1.064 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(CCc2ccncc2)CC1 ZINC000252539263 569190208 /nfs/dbraw/zinc/19/02/08/569190208.db2.gz NYABTHJWPWMUDG-LJQANCHMSA-N 0 0 425.489 1.467 50 0 IDAARN Cn1cc([C@H]2C[S@](=O)CCN2Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cn1 ZINC000252572624 569191187 /nfs/dbraw/zinc/19/11/87/569191187.db2.gz ZNMCIFBINBVLON-MHTXLSKPSA-N 0 0 425.440 1.720 50 0 IDAARN COCC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000037574068 569201310 /nfs/dbraw/zinc/20/13/10/569201310.db2.gz PTGAGNLFHDOJQA-UHFFFAOYSA-N 0 0 427.461 1.105 50 0 IDAARN O=C(CNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)NCc1ccccc1 ZINC000037577811 569201467 /nfs/dbraw/zinc/20/14/67/569201467.db2.gz STCACLQMVJNQDF-UHFFFAOYSA-N 0 0 431.496 1.975 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000252640589 569208596 /nfs/dbraw/zinc/20/85/96/569208596.db2.gz YVDQISGVEKVZDF-IDCNUPLLSA-N 0 0 448.564 1.643 50 0 IDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(O)cc1 ZINC000252669017 569209839 /nfs/dbraw/zinc/20/98/39/569209839.db2.gz GEQMWMFTIUUTBH-LJQANCHMSA-N 0 0 438.509 1.546 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000252694693 569211040 /nfs/dbraw/zinc/21/10/40/569211040.db2.gz OJLSSLQLXZDJDV-VBKCDYCISA-N 0 0 433.508 1.647 50 0 biogenic IDAARN CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@]12c1ccccc1NC2=O ZINC000002234384 569211391 /nfs/dbraw/zinc/21/13/91/569211391.db2.gz ZOQMJQPAPPSBKL-JOCHJYFZSA-N 0 0 444.440 1.411 50 0 IDAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000016823344 569256865 /nfs/dbraw/zinc/25/68/65/569256865.db2.gz IZYFOVAMXARCNT-AVGNSLFASA-N 0 0 430.910 1.036 50 0 IDAARN Cn1c2c(nc(Br)n2C[C@@H]2CCN(C(=O)c3ccccc3)C2)c(=O)n(C)c1=O ZINC000253398502 569264823 /nfs/dbraw/zinc/26/48/23/569264823.db2.gz WKFICFHOIGEBAE-GFCCVEGCSA-N 0 0 446.305 1.359 50 0 IDAARN CN(CC(=O)OC(C)(C)C)[C@@H]1CN(Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@H]1O ZINC000253415633 569266344 /nfs/dbraw/zinc/26/63/44/569266344.db2.gz LGFOADKUYPAMEV-HZPDHXFCSA-N 0 0 447.561 1.609 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000253470965 569282573 /nfs/dbraw/zinc/28/25/73/569282573.db2.gz AHKMGEOROKOAIQ-UHFFFAOYSA-N 0 0 440.953 1.992 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cn1C ZINC000253471038 569282598 /nfs/dbraw/zinc/28/25/98/569282598.db2.gz ANBLVUJNADHWDV-UHFFFAOYSA-N 0 0 446.573 1.700 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)cn1C ZINC000253472197 569282677 /nfs/dbraw/zinc/28/26/77/569282677.db2.gz KBEJLHNLPYSIJK-FNORWQNLSA-N 0 0 432.502 1.394 50 0 IDAARN CCOC(=O)C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)C2NN1 ZINC000018169801 569286021 /nfs/dbraw/zinc/28/60/21/569286021.db2.gz PEGQUHIGERVKBN-NXEZZACHSA-N 0 0 433.774 1.042 50 0 IDAARN CCOC(=O)CN1c2ccccc2[C@]2(C1=O)C(C(=O)OCC)=C(C)OC(N)=C2C(=O)OC ZINC000002373707 569289245 /nfs/dbraw/zinc/28/92/45/569289245.db2.gz ALPTWAQSJPZMST-QFIPXVFZSA-N 0 0 444.440 1.045 50 0 IDAARN COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000055190424 569295954 /nfs/dbraw/zinc/29/59/54/569295954.db2.gz JFJVTDXEAMPWLD-UHFFFAOYSA-N 0 0 444.919 1.861 50 0 IDAARN COc1ccc(C=CC(=O)N[C@@H](C)C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000009592795 569297449 /nfs/dbraw/zinc/29/74/49/569297449.db2.gz PEBLOMRVAPKRIM-SEIPJRMCSA-N 0 0 438.436 1.970 50 0 IDAARN COc1ccc2cnn(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)c2c1OC ZINC000225414880 569299205 /nfs/dbraw/zinc/29/92/05/569299205.db2.gz SNDSMIGPHCWWCI-ZBFHGGJFSA-N 0 0 436.468 1.221 50 0 biogenic IDAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013014849 569307035 /nfs/dbraw/zinc/30/70/35/569307035.db2.gz RTKGRIJZKILZKV-UHFFFAOYSA-N 0 0 445.472 1.626 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)CC2=O)c1 ZINC000013017536 569307170 /nfs/dbraw/zinc/30/71/70/569307170.db2.gz HOIGZNGXDJSPTA-SFHVURJKSA-N 0 0 436.512 1.831 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC(CC)CC)CC2)cc1 ZINC000013056768 569308298 /nfs/dbraw/zinc/30/82/98/569308298.db2.gz GMHKYDPXSBVDGB-UHFFFAOYSA-N 0 0 425.551 1.474 50 0 IDAARN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013057633 569308372 /nfs/dbraw/zinc/30/83/72/569308372.db2.gz RJUJVONPUDWZPM-SNVBAGLBSA-N 0 0 444.435 1.649 50 0 IDAARN COCCN(C(=O)CCC(=O)Nc1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013057390 569308425 /nfs/dbraw/zinc/30/84/25/569308425.db2.gz ZTTITNIJSWCEGV-UHFFFAOYSA-N 0 0 445.520 1.482 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013097327 569309716 /nfs/dbraw/zinc/30/97/16/569309716.db2.gz IHVCDVQNXHSOGT-KDOFPFPSSA-N 0 0 447.513 1.659 50 0 IDAARN CCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O ZINC000013097750 569309816 /nfs/dbraw/zinc/30/98/16/569309816.db2.gz YXXRDPQGCKZYGJ-IBGZPJMESA-N 0 0 430.530 1.824 50 0 IDAARN O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccc2c(c1)OCO2 ZINC000013117609 569311045 /nfs/dbraw/zinc/31/10/45/569311045.db2.gz FRTFGNVEVLMZAK-HXUWFJFHSA-N 0 0 425.441 1.338 50 0 IDAARN CCOC(=O)C1=C(CSCC(=O)OCC(=O)Nc2ccc(F)cc2)NC(=O)N[C@H]1C ZINC000013149361 569312142 /nfs/dbraw/zinc/31/21/42/569312142.db2.gz XWVSKXVDZGXUHG-NSHDSACASA-N 0 0 439.465 1.559 50 0 IDAARN CCOC(=O)C1=C(CSCC(=O)OCC(=O)Nc2ccc(F)cc2)NC(=O)N[C@@H]1C ZINC000013149360 569312153 /nfs/dbraw/zinc/31/21/53/569312153.db2.gz XWVSKXVDZGXUHG-LLVKDONJSA-N 0 0 439.465 1.559 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)N=C(c2cccs2)C(=O)N3)c1 ZINC000013363073 569314143 /nfs/dbraw/zinc/31/41/43/569314143.db2.gz BVWKNNSFSRZYCA-UHFFFAOYSA-N 0 0 435.527 1.865 50 0 IDAARN CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2OC)cc1 ZINC000013372043 569315022 /nfs/dbraw/zinc/31/50/22/569315022.db2.gz UDPXKOABKGDBBH-ICSRJNTNSA-N 0 0 439.555 1.823 50 0 IDAARN CNS(=O)(=O)NC1CCN(C(=O)c2scc(C)c2I)CC1 ZINC000328591428 569316920 /nfs/dbraw/zinc/31/69/20/569316920.db2.gz OCTPJXUINGSIGO-UHFFFAOYSA-N 0 0 443.332 1.320 50 0 IDAARN COc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 ZINC000078899430 569320114 /nfs/dbraw/zinc/32/01/14/569320114.db2.gz VKZOQLWQVNOQHQ-NVXWUHKLSA-N 0 0 444.575 1.517 50 0 IDAARN COc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2S(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 ZINC000078899437 569320123 /nfs/dbraw/zinc/32/01/23/569320123.db2.gz VKZOQLWQVNOQHQ-DOTOQJQBSA-N 0 0 444.575 1.517 50 0 IDAARN Cc1nc2cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)ccc2n1[C@H]1CCS(=O)(=O)C1 ZINC000078902859 569320140 /nfs/dbraw/zinc/32/01/40/569320140.db2.gz WLQBYYVOYMPEQB-RXVVDRJESA-N 0 0 448.589 1.791 50 0 IDAARN CC1(C)CN(C(=O)Cn2cc(NC(=O)NCC[S@@](=O)Cc3ccccc3)cn2)CCO1 ZINC000078975132 569321097 /nfs/dbraw/zinc/32/10/97/569321097.db2.gz WGIAHRXHGBEQTR-HKBQPEDESA-N 0 0 447.561 1.591 50 0 IDAARN CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C)cc1)c(=O)n2C ZINC000019625726 569323778 /nfs/dbraw/zinc/32/37/78/569323778.db2.gz DOPXQVILDQXAON-UHFFFAOYSA-N 0 0 437.500 1.833 50 0 IDAARN COc1ncnc(N(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000079061318 569323887 /nfs/dbraw/zinc/32/38/87/569323887.db2.gz ZTKOXGNYKLGNIL-KBPBESRZSA-N 0 0 449.533 1.601 50 0 IDAARN COc1ccc(C[C@H](CO)CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1O ZINC000079076246 569324705 /nfs/dbraw/zinc/32/47/05/569324705.db2.gz RVCIJMFYTOFEEK-INIZCTEOSA-N 0 0 441.459 1.975 50 0 IDAARN COc1ccc([C@@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1 ZINC000019795870 569329403 /nfs/dbraw/zinc/32/94/03/569329403.db2.gz BWBZPSFPTAAPFZ-OAQYLSRUSA-N 0 0 437.496 1.871 50 0 IDAARN O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCN(c2ncccn2)CC1 ZINC000019797443 569329654 /nfs/dbraw/zinc/32/96/54/569329654.db2.gz MCTCUNSKEGGAIY-UHFFFAOYSA-N 0 0 435.893 1.159 50 0 IDAARN COc1cccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)c1 ZINC000019819948 569330046 /nfs/dbraw/zinc/33/00/46/569330046.db2.gz GJFZYTQHDFHLSP-LJQANCHMSA-N 0 0 434.514 1.818 50 0 IDAARN O=C(COc1coc(CN2CCOCC2)cc1=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000079483187 569330967 /nfs/dbraw/zinc/33/09/67/569330967.db2.gz DVYOYNZYYPUWFU-UHFFFAOYSA-N 0 0 447.919 1.853 50 0 IDAARN COc1ccc(S(=O)(=O)CCNC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1 ZINC000079489068 569331221 /nfs/dbraw/zinc/33/12/21/569331221.db2.gz RUZPBOIZABVKPA-QGZVFWFLSA-N 0 0 432.546 1.909 50 0 IDAARN Cc1cc(C)nc(Nc2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)n1 ZINC000079489017 569331250 /nfs/dbraw/zinc/33/12/50/569331250.db2.gz BSRATLJNWPXRLH-LJQANCHMSA-N 0 0 429.546 1.782 50 0 IDAARN CC(C)CCn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O ZINC000079502116 569331466 /nfs/dbraw/zinc/33/14/66/569331466.db2.gz FGNRURBJYPDWTC-SFHVURJKSA-N 0 0 445.585 1.993 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1ccccc1Cl ZINC000020051989 569332902 /nfs/dbraw/zinc/33/29/02/569332902.db2.gz HTWFEUCRBJMMFT-UHFFFAOYSA-N 0 0 442.907 1.433 50 0 IDAARN CN1c2ccc(NC(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)cc2N(C)S1(=O)=O ZINC000390826435 569353840 /nfs/dbraw/zinc/35/38/40/569353840.db2.gz KZFMRFMVQHCIKO-GFCCVEGCSA-N 0 0 447.542 1.538 50 0 IDAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)ncn2)n1 ZINC000390827640 569353927 /nfs/dbraw/zinc/35/39/27/569353927.db2.gz ZZGZYOHUPVMHKV-UHFFFAOYSA-N 0 0 427.490 1.001 50 0 IDAARN CCn1cc(C(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)c(=O)c2ccc(C)nc21 ZINC000390832329 569354526 /nfs/dbraw/zinc/35/45/26/569354526.db2.gz YRUVDYIXKQJBCU-UHFFFAOYSA-N 0 0 446.515 1.870 50 0 IDAARN COC(CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)OC ZINC000020216062 569356644 /nfs/dbraw/zinc/35/66/44/569356644.db2.gz SBMYXGDVZGESGO-GFCCVEGCSA-N 0 0 428.536 1.169 50 0 IDAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC ZINC000020233028 569357096 /nfs/dbraw/zinc/35/70/96/569357096.db2.gz WFSAONWWMNIGCZ-UHFFFAOYSA-N 0 0 447.513 1.920 50 0 IDAARN CC1CCC(NC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)CC1 ZINC000020240289 569357730 /nfs/dbraw/zinc/35/77/30/569357730.db2.gz AWCRWBCNVOCJHO-UHFFFAOYSA-N 0 0 447.557 1.868 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)CO2 ZINC000020279492 569358643 /nfs/dbraw/zinc/35/86/43/569358643.db2.gz GFOLJHQZBCSNPY-HZPDHXFCSA-N 0 0 437.562 1.947 50 0 IDAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NN2CCOCC2)c1C ZINC000020282992 569358982 /nfs/dbraw/zinc/35/89/82/569358982.db2.gz NAHUMMOEMDTSAG-UHFFFAOYSA-N 0 0 439.516 1.796 50 0 IDAARN COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)cc1 ZINC000020284900 569359101 /nfs/dbraw/zinc/35/91/01/569359101.db2.gz WVOTXUKSRJJWEZ-LJQANCHMSA-N 0 0 447.513 1.759 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4)C3)cc2oc1=O ZINC000020327354 569360457 /nfs/dbraw/zinc/36/04/57/569360457.db2.gz HKMLONMTRHWNQG-MRXNPFEDSA-N 0 0 429.498 1.849 50 0 IDAARN O=C(c1ccc2[nH]cnc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000095394265 569363530 /nfs/dbraw/zinc/36/35/30/569363530.db2.gz MBDULTYRANRJFF-UHFFFAOYSA-N 0 0 441.469 1.041 50 0 IDAARN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccn(CC(=O)N3CCN(C)CC3)n2)C(C)C)cc1 ZINC000095399037 569363695 /nfs/dbraw/zinc/36/36/95/569363695.db2.gz WXTYTYYIBBOMRT-OAQYLSRUSA-N 0 0 440.548 1.359 50 0 IDAARN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000095429230 569366112 /nfs/dbraw/zinc/36/61/12/569366112.db2.gz LHTHUWNWGJVKSS-LJQANCHMSA-N 0 0 438.546 1.843 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3cc(F)c(Br)cc3F)c2c(=O)n(C)c1=O ZINC000095435477 569366429 /nfs/dbraw/zinc/36/64/29/569366429.db2.gz GWYOQAROMHDMBS-UHFFFAOYSA-N 0 0 428.193 1.113 50 0 IDAARN COC(=O)[C@]1(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCSC1 ZINC000095444108 569367012 /nfs/dbraw/zinc/36/70/12/569367012.db2.gz VGKKXBAVWIOGTK-HNNXBMFYSA-N 0 0 436.349 1.529 50 0 IDAARN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)s1 ZINC000095457532 569369063 /nfs/dbraw/zinc/36/90/63/569369063.db2.gz DAPVLEQZKSIOQN-HNNXBMFYSA-N 0 0 427.592 1.885 50 0 IDAARN CC[C@@H](O)CN1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000095461718 569369836 /nfs/dbraw/zinc/36/98/36/569369836.db2.gz FJGJEEPSXJOYMH-UXHICEINSA-N 0 0 439.578 1.506 50 0 IDAARN CC(C)CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccnc2)s1 ZINC000095461709 569369859 /nfs/dbraw/zinc/36/98/59/569369859.db2.gz NZPXZBOUUPDFEW-UHFFFAOYSA-N 0 0 438.575 1.742 50 0 IDAARN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000095462384 569370119 /nfs/dbraw/zinc/37/01/19/569370119.db2.gz ZHZMQRGYIBXIQH-IBGZPJMESA-N 0 0 431.456 1.338 50 0 IDAARN Cc1csc2ncc(C(=O)NCCNC(=O)c3cccc(Br)c3)c(=O)n12 ZINC000095463684 569370332 /nfs/dbraw/zinc/37/03/32/569370332.db2.gz PIIOZIPTDNAVAH-UHFFFAOYSA-N 0 0 435.303 1.987 50 0 IDAARN CCN(CC)C(=O)CCCNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000095465629 569370781 /nfs/dbraw/zinc/37/07/81/569370781.db2.gz XLSFTDMJDGPTJB-HSZRJFAPSA-N 0 0 426.517 1.893 50 0 IDAARN COc1ccc(CN2CCN(C(=O)COc3cn(C)c(C)cc3=O)CC2)c(OC)c1OC ZINC000095473963 569372473 /nfs/dbraw/zinc/37/24/73/569372473.db2.gz XFDVKKVATSFSHH-UHFFFAOYSA-N 0 0 445.516 1.443 50 0 IDAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1C ZINC000095476644 569373062 /nfs/dbraw/zinc/37/30/62/569373062.db2.gz IIYNSOMSEKDFDZ-SFHVURJKSA-N 0 0 441.484 1.933 50 0 IDAARN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)[C@@H](C(=O)OC)C1 ZINC000096002238 569379109 /nfs/dbraw/zinc/37/91/09/569379109.db2.gz QDJPMBVMCUILTI-CKEIUWERSA-N 0 0 434.514 1.715 50 0 IDAARN COC(=O)C[C@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CC1 ZINC000096004352 569379154 /nfs/dbraw/zinc/37/91/54/569379154.db2.gz TVISZDHDZJKRFW-IBGZPJMESA-N 0 0 448.545 1.527 50 0 IDAARN COC(=O)Cn1ncc2c1ncnc2N1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000096005729 569379355 /nfs/dbraw/zinc/37/93/55/569379355.db2.gz PQJSUUXOHGENHB-ZIAGYGMSSA-N 0 0 434.497 1.508 50 0 IDAARN CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000096008973 569379594 /nfs/dbraw/zinc/37/95/94/569379594.db2.gz PDOFJCVRZTWHOS-NSHDSACASA-N 0 0 446.323 1.008 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)CC1 ZINC000096024332 569380460 /nfs/dbraw/zinc/38/04/60/569380460.db2.gz HMSGAZKJSMDVPI-UHFFFAOYSA-N 0 0 438.531 1.545 50 0 IDAARN COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 ZINC000096099643 569381670 /nfs/dbraw/zinc/38/16/70/569381670.db2.gz YBSQRHOAFYPZAK-UHFFFAOYSA-N 0 0 427.548 1.673 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122119 569385156 /nfs/dbraw/zinc/38/51/56/569385156.db2.gz OQNFPYHJRRSHBA-UHFFFAOYSA-N 0 0 438.527 1.504 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)c1 ZINC000096121923 569385173 /nfs/dbraw/zinc/38/51/73/569385173.db2.gz GAASSTOCXUFBFI-UHFFFAOYSA-N 0 0 428.576 1.540 50 0 IDAARN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)cc1 ZINC000096124012 569385290 /nfs/dbraw/zinc/38/52/90/569385290.db2.gz UGFXTBHUUXULMN-CQSZACIVSA-N 0 0 427.490 1.316 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000096231300 569387509 /nfs/dbraw/zinc/38/75/09/569387509.db2.gz XWHYYXJRZNQHKP-YOEHRIQHSA-N 0 0 436.472 1.468 50 0 IDAARN COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCc2nc3ccccc3[nH]2)C1=O ZINC000096232511 569387685 /nfs/dbraw/zinc/38/76/85/569387685.db2.gz IOZCLCYQIWAFJM-SFHVURJKSA-N 0 0 435.484 1.783 50 0 IDAARN CC(=O)N1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)CC1 ZINC000096318100 569393729 /nfs/dbraw/zinc/39/37/29/569393729.db2.gz XNMRHIXONHNNEG-UHFFFAOYSA-N 0 0 448.523 1.768 50 0 IDAARN COc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)N[C@@H]3CCc4ccccc43)n2)c1 ZINC000096321820 569394180 /nfs/dbraw/zinc/39/41/80/569394180.db2.gz VSBZLHHCLWSUAL-LJQANCHMSA-N 0 0 439.493 1.888 50 0 IDAARN COc1cc(Cl)ccc1C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000096323270 569395099 /nfs/dbraw/zinc/39/50/99/569395099.db2.gz LGWMCFBNAFKDRE-UHFFFAOYSA-N 0 0 426.926 1.846 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000096323259 569395109 /nfs/dbraw/zinc/39/51/09/569395109.db2.gz GRIFZNSISVSCIL-UHFFFAOYSA-N 0 0 441.351 1.946 50 0 IDAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000096323433 569395204 /nfs/dbraw/zinc/39/52/04/569395204.db2.gz LJPQELBNKKDVGA-UHFFFAOYSA-N 0 0 434.566 1.829 50 0 IDAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCOCC3)ccc21)N1CCCCC1 ZINC000096324090 569395703 /nfs/dbraw/zinc/39/57/03/569395703.db2.gz MNSJBFJAWGHKCC-UHFFFAOYSA-N 0 0 439.559 1.487 50 0 IDAARN CS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1 ZINC000096395874 569398941 /nfs/dbraw/zinc/39/89/41/569398941.db2.gz QJESHHBLESZVQO-UHFFFAOYSA-N 0 0 427.490 1.316 50 0 IDAARN CCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1cccc(Br)c1)CC2 ZINC000096398517 569399648 /nfs/dbraw/zinc/39/96/48/569399648.db2.gz UWBPMXBENXSPPD-UHFFFAOYSA-N 0 0 441.351 1.956 50 0 IDAARN CCOC(=O)[C@H](CNC(=O)CNC(=O)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000096581699 569401713 /nfs/dbraw/zinc/40/17/13/569401713.db2.gz QEOYXDAIDKYDOS-SFHVURJKSA-N 0 0 427.457 1.391 50 0 IDAARN CC(=O)NCSC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 ZINC000096593953 569402013 /nfs/dbraw/zinc/40/20/13/569402013.db2.gz MWPCTRFDTCYMKT-MRXNPFEDSA-N 0 0 439.534 1.566 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(C/C=C\c2ccccc2)c(=O)n3C)n1CCOCCO ZINC000096936079 569402689 /nfs/dbraw/zinc/40/26/89/569402689.db2.gz APPFHZYLMXTFBG-YFHOEESVSA-N 0 0 437.500 1.489 50 0 IDAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225543310 569404061 /nfs/dbraw/zinc/40/40/61/569404061.db2.gz VKRXAGLAOLEUGX-UHFFFAOYSA-N 0 0 448.462 1.770 50 0 IDAARN O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000027937012 569404197 /nfs/dbraw/zinc/40/41/97/569404197.db2.gz VCQOXIWLIRRCOO-QMMMGPOBSA-N 0 0 430.246 1.845 50 0 IDAARN O=C(c1cc2n(n1)CCCC2)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000225604555 569405554 /nfs/dbraw/zinc/40/55/54/569405554.db2.gz MIDQKCRCJDVZMJ-UHFFFAOYSA-N 0 0 432.531 1.371 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1F ZINC000225604271 569405571 /nfs/dbraw/zinc/40/55/71/569405571.db2.gz KRUXHKAENOPAEV-UHFFFAOYSA-N 0 0 436.509 1.904 50 0 IDAARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2 ZINC000225713808 569407450 /nfs/dbraw/zinc/40/74/50/569407450.db2.gz KSWHARRWCHFFRD-VWLOTQADSA-N 0 0 449.507 1.809 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)cc1F ZINC000225761108 569408340 /nfs/dbraw/zinc/40/83/40/569408340.db2.gz XLLUVBDZTLYCNG-UHFFFAOYSA-N 0 0 433.461 1.863 50 0 IDAARN CCn1cccc1-c1noc(CNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)n1 ZINC000225768714 569408435 /nfs/dbraw/zinc/40/84/35/569408435.db2.gz JWBIJYCSDFISPQ-GFCCVEGCSA-N 0 0 426.502 1.957 50 0 IDAARN CCn1c(=O)c2c(nc1N1CCN(C(=O)COc3ccccc3F)CC1)c(C)nn2C ZINC000028559048 569412360 /nfs/dbraw/zinc/41/23/60/569412360.db2.gz WKFPKHWZMQBODX-UHFFFAOYSA-N 0 0 428.468 1.325 50 0 IDAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000002633865 569412716 /nfs/dbraw/zinc/41/27/16/569412716.db2.gz FHHLZYLPSQMQOQ-UHFFFAOYSA-N 0 0 447.513 1.703 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002643953 569413953 /nfs/dbraw/zinc/41/39/53/569413953.db2.gz PQPAQNVEXPHZSK-UHFFFAOYSA-N 0 0 430.529 1.230 50 0 IDAARN Cc1cc(C(=O)CSc2nnc(C)c(=O)n2N)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002652250 569415032 /nfs/dbraw/zinc/41/50/32/569415032.db2.gz LFIMVVUXZXLGSL-OAHLLOKOSA-N 0 0 441.513 1.894 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000002654654 569415310 /nfs/dbraw/zinc/41/53/10/569415310.db2.gz CNMARWKQBVNBBS-LJQANCHMSA-N 0 0 431.489 1.773 50 0 IDAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCC1=CCCCC1 ZINC000002658750 569415749 /nfs/dbraw/zinc/41/57/49/569415749.db2.gz ZHXBYGSVNMGKIN-UHFFFAOYSA-N 0 0 436.530 1.871 50 0 IDAARN CCCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O ZINC000002661093 569415996 /nfs/dbraw/zinc/41/59/96/569415996.db2.gz AULJAKJFNVJZJU-UHFFFAOYSA-N 0 0 428.514 1.817 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@@H](O)COc2ccc(F)cc2)c1=O ZINC000028918827 569423406 /nfs/dbraw/zinc/42/34/06/569423406.db2.gz UFGFRMTYBBMIHW-OAHLLOKOSA-N 0 0 437.493 1.652 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000056938794 569427802 /nfs/dbraw/zinc/42/78/02/569427802.db2.gz GFUIKEAOSHCDBW-KRWDZBQOSA-N 0 0 449.552 1.759 50 0 IDAARN COC(CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)OC ZINC000056945776 569428087 /nfs/dbraw/zinc/42/80/87/569428087.db2.gz OHCBPTJMZQRMIP-GOSISDBHSA-N 0 0 448.495 1.133 50 0 IDAARN COC(CNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)OC 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COc1cc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc(OC)c1 ZINC000057520576 569438758 /nfs/dbraw/zinc/43/87/58/569438758.db2.gz JBXZOKZUAWBPDM-UHFFFAOYSA-N 0 0 445.501 1.413 50 0 IDAARN CC(=O)c1ccc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1 ZINC000057520655 569438838 /nfs/dbraw/zinc/43/88/38/569438838.db2.gz MZBXLMJMLWCQOZ-UHFFFAOYSA-N 0 0 427.486 1.598 50 0 IDAARN COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccc(OC)cc4)O[C@@H]3[C@@H](O)[C@@H]2NC(C)=O)cc1 ZINC000230151397 569439524 /nfs/dbraw/zinc/43/95/24/569439524.db2.gz RZSHWDOZSGCONM-DTILQVPTSA-N 0 0 445.468 1.787 50 0 IDAARN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000230217729 569440155 /nfs/dbraw/zinc/44/01/55/569440155.db2.gz KDVSOGNZGNIXIC-WFXMLNOXSA-N 0 0 437.562 1.363 50 0 IDAARN COc1ncccc1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000030307088 569441598 /nfs/dbraw/zinc/44/15/98/569441598.db2.gz PHRRPDCNCDBRFP-SFHVURJKSA-N 0 0 435.502 1.481 50 0 IDAARN 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569447583 /nfs/dbraw/zinc/44/75/83/569447583.db2.gz GUDVYVZZSZKSET-UHFFFAOYSA-N 0 0 429.542 1.936 50 0 IDAARN COc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000003365042 569448079 /nfs/dbraw/zinc/44/80/79/569448079.db2.gz HQKOFBFLCUXFMW-NSHDSACASA-N 0 0 433.392 1.592 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000003368797 569448256 /nfs/dbraw/zinc/44/82/56/569448256.db2.gz NFNYFFSBOBLPGG-UHFFFAOYSA-N 0 0 443.378 1.724 50 0 IDAARN Cc1ccc(NC(=O)CN(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cc1 ZINC000003369945 569448298 /nfs/dbraw/zinc/44/82/98/569448298.db2.gz QAEODQQKPHMDQI-UHFFFAOYSA-N 0 0 449.511 1.239 50 0 IDAARN CCOC(=O)C[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)c1cccc(OC)c1 ZINC000058133068 569448337 /nfs/dbraw/zinc/44/83/37/569448337.db2.gz JNNLYEJBIYVSGG-KRWDZBQOSA-N 0 0 443.522 1.298 50 0 IDAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000003385107 569448979 /nfs/dbraw/zinc/44/89/79/569448979.db2.gz 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CC(C)CNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000003593217 569454600 /nfs/dbraw/zinc/45/46/00/569454600.db2.gz ILZRNSFCHVOJTQ-KRWDZBQOSA-N 0 0 425.283 1.698 50 0 IDAARN CS(=O)(=O)N1CCC(CNC(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000058438941 569454768 /nfs/dbraw/zinc/45/47/68/569454768.db2.gz ROHAIGMFPSHLFH-UHFFFAOYSA-N 0 0 446.367 1.357 50 0 IDAARN COc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000031772972 569457277 /nfs/dbraw/zinc/45/72/77/569457277.db2.gz KFBPHCKCJLBHRK-KRWDZBQOSA-N 0 0 445.540 1.457 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000031808273 569457570 /nfs/dbraw/zinc/45/75/70/569457570.db2.gz YXGUDKLDLJFPEG-JTQLQIEISA-N 0 0 444.872 1.204 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000031811898 569457776 /nfs/dbraw/zinc/45/77/76/569457776.db2.gz DWEBPENILAETQG-NSHDSACASA-N 0 0 426.882 1.064 50 0 IDAARN CCn1c(=O)c(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(N)n(Cc2ccccc2)c1=O ZINC000031814216 569457931 /nfs/dbraw/zinc/45/79/31/569457931.db2.gz UZLHAKAHRSABJD-UHFFFAOYSA-N 0 0 448.401 1.724 50 0 IDAARN CCc1c(C)sc2c1c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)N1CCOCC1 ZINC000031818290 569458043 /nfs/dbraw/zinc/45/80/43/569458043.db2.gz PAYWXPPBSLQEHT-UHFFFAOYSA-N 0 0 438.513 1.897 50 0 IDAARN O=C(c1ccc(F)cc1-n1cnnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032072590 569459272 /nfs/dbraw/zinc/45/92/72/569459272.db2.gz AUFVMXJAAAMVNB-UHFFFAOYSA-N 0 0 434.428 1.087 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032102488 569460106 /nfs/dbraw/zinc/46/01/06/569460106.db2.gz SDKATICATBGEBK-MRRJBJDNSA-N 0 0 425.507 1.297 50 0 IDAARN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000008004315 569462095 /nfs/dbraw/zinc/46/20/95/569462095.db2.gz QBAGAXPAGQVOJA-UHFFFAOYSA-N 0 0 427.505 1.623 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1cccc(NS(C)(=O)=O)c1 ZINC000038488408 569463002 /nfs/dbraw/zinc/46/30/02/569463002.db2.gz 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COc1ccc(CNC(=O)Cn2ccn(-c3ccccc3OC)c(=O)c2=O)cc1OC ZINC000067256456 569466086 /nfs/dbraw/zinc/46/60/86/569466086.db2.gz RJRGWWHNZHQGCX-UHFFFAOYSA-N 0 0 425.441 1.341 50 0 IDAARN O=c1nc2nc(N3CCN(c4ccccn4)CC3)[nH]cc-2c(=O)n1-c1ccc2c(c1)OCO2 ZINC000067262813 569466717 /nfs/dbraw/zinc/46/67/17/569466717.db2.gz RFPNMNMTIZHLFC-UHFFFAOYSA-N 0 0 445.439 1.332 50 0 IDAARN CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000067286475 569467020 /nfs/dbraw/zinc/46/70/20/569467020.db2.gz YUHWIZTVTWNHOQ-QGZVFWFLSA-N 0 0 435.477 1.216 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286962 569467023 /nfs/dbraw/zinc/46/70/23/569467023.db2.gz TVTOSGSIPMGMDU-LJQANCHMSA-N 0 0 432.546 1.744 50 0 IDAARN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287083 569467035 /nfs/dbraw/zinc/46/70/35/569467035.db2.gz DUDRMHVOXQKTRB-IBGZPJMESA-N 0 0 431.489 1.705 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccs3)CC2)CC1 ZINC000038947023 569469659 /nfs/dbraw/zinc/46/96/59/569469659.db2.gz MDTFJZPXHPGZQQ-JKSUJKDBSA-N 0 0 425.576 1.194 50 0 IDAARN O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000008694645 569470122 /nfs/dbraw/zinc/47/01/22/569470122.db2.gz CMJPNKJXQFUWPL-WBVHZDCISA-N 0 0 447.582 1.956 50 0 IDAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008703948 569470218 /nfs/dbraw/zinc/47/02/18/569470218.db2.gz MMDONBXZKHFGNG-UHFFFAOYSA-N 0 0 444.517 1.333 50 0 IDAARN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O)c1cccs1 ZINC000008704903 569470344 /nfs/dbraw/zinc/47/03/44/569470344.db2.gz RYDFSALPXCGJDA-BUXKBTBVSA-N 0 0 425.474 1.368 50 0 IDAARN COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000008708903 569470748 /nfs/dbraw/zinc/47/07/48/569470748.db2.gz HTICCLPDELPPLE-ZDUSSCGKSA-N 0 0 429.477 1.348 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)cc2)n(C)c1=O ZINC000008709848 569470799 /nfs/dbraw/zinc/47/07/99/569470799.db2.gz 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O=C(CNS(=O)(=O)Cc1ccccc1)NCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008748933 569473222 /nfs/dbraw/zinc/47/32/22/569473222.db2.gz KESFKZAKOJKLNF-UHFFFAOYSA-N 0 0 429.420 1.880 50 0 IDAARN O=C(COc1ccccc1)NCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000008749137 569473260 /nfs/dbraw/zinc/47/32/60/569473260.db2.gz UIKDKXFZJKZLEE-UHFFFAOYSA-N 0 0 433.486 1.310 50 0 IDAARN Cc1nn(S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000008755107 569473928 /nfs/dbraw/zinc/47/39/28/569473928.db2.gz RMDVHSKEGGDTRU-UHFFFAOYSA-N 0 0 443.547 1.545 50 0 IDAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nnnn1-c1ccccc1 ZINC000008755210 569473981 /nfs/dbraw/zinc/47/39/81/569473981.db2.gz TUFHCMCYRBEVAH-UHFFFAOYSA-N 0 0 428.474 1.125 50 0 IDAARN COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccncc3)s2)cc1 ZINC000008770754 569475156 /nfs/dbraw/zinc/47/51/56/569475156.db2.gz PAFLLMULFVNUSO-QOCHGBHMSA-N 0 0 425.470 1.551 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2C)CC1 ZINC000008772835 569475298 /nfs/dbraw/zinc/47/52/98/569475298.db2.gz XZUOAYHAZIBAIG-UHFFFAOYSA-N 0 0 429.502 1.808 50 0 IDAARN Cn1c2ncn(CC(=O)OCC(=O)c3ccc(C4CCCCC4)cc3)c2c(=O)n(C)c1=O ZINC000008778676 569475527 /nfs/dbraw/zinc/47/55/27/569475527.db2.gz PQGYCMSWOJXLCU-UHFFFAOYSA-N 0 0 438.484 1.908 50 0 IDAARN CC[C@H](C)N(C(=O)COC(=O)c1cncc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008824617 569477195 /nfs/dbraw/zinc/47/71/95/569477195.db2.gz YAARNNXVCJLYID-SMDDNHRTSA-N 0 0 433.324 1.815 50 0 IDAARN COc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 ZINC000008824865 569477254 /nfs/dbraw/zinc/47/72/54/569477254.db2.gz ADNXIHVTXAKHNT-UHFFFAOYSA-N 0 0 448.497 1.669 50 0 IDAARN O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000008848913 569479181 /nfs/dbraw/zinc/47/91/81/569479181.db2.gz GUEIECZFWWTUEM-UHFFFAOYSA-N 0 0 439.403 1.106 50 0 IDAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000008848719 569479187 /nfs/dbraw/zinc/47/91/87/569479187.db2.gz QQTMVCLGSFAUHL-AWEZNQCLSA-N 0 0 429.424 1.537 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)c1 ZINC000008848907 569479208 /nfs/dbraw/zinc/47/92/08/569479208.db2.gz LKEUUMDFIHKPJW-UHFFFAOYSA-N 0 0 441.419 1.352 50 0 IDAARN COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c3=O)cc1 ZINC000008849311 569479243 /nfs/dbraw/zinc/47/92/43/569479243.db2.gz XRBJXOSCNRJKHY-UHFFFAOYSA-N 0 0 427.848 1.857 50 0 IDAARN Cc1ccc(N2CCn3c2nn(CC(=O)N2CCN(c4ccccc4)CC2)c(=O)c3=O)cc1 ZINC000008849613 569479266 /nfs/dbraw/zinc/47/92/66/569479266.db2.gz QQHSGCOILNGFLM-UHFFFAOYSA-N 0 0 446.511 1.214 50 0 IDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NC[C@@H](c1cccs1)N1CCOCC1)C2=O ZINC000068783162 569481998 /nfs/dbraw/zinc/48/19/98/569481998.db2.gz OMBTXRBPJZOEOW-VWKPWSFCSA-N 0 0 434.562 1.738 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000039996269 569482416 /nfs/dbraw/zinc/48/24/16/569482416.db2.gz CSWQRQHVYRARBX-MSOLQXFVSA-N 0 0 445.541 1.634 50 0 IDAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000040002582 569482467 /nfs/dbraw/zinc/48/24/67/569482467.db2.gz IERDFJXYBYYPDC-HNNXBMFYSA-N 0 0 437.500 1.772 50 0 IDAARN COc1ccc(OCCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000040015822 569482596 /nfs/dbraw/zinc/48/25/96/569482596.db2.gz PGVKFPYABWCHLT-UHFFFAOYSA-N 0 0 436.486 1.282 50 0 IDAARN CCCC1N=NC(=S)N1CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000040024204 569482744 /nfs/dbraw/zinc/48/27/44/569482744.db2.gz YRFUOQVAJJGFRJ-UHFFFAOYSA-N 0 0 429.593 1.550 50 0 IDAARN CCOc1ccc(-c2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)o2)cc1 ZINC000008893409 569483608 /nfs/dbraw/zinc/48/36/08/569483608.db2.gz YAWNVZDJSGHXKP-UHFFFAOYSA-N 0 0 429.458 1.877 50 0 IDAARN CCOC(=O)[C@@H]1CSCCN1C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000040047059 569483755 /nfs/dbraw/zinc/48/37/55/569483755.db2.gz CHCVUBWZGSGKIK-LAPQFRIASA-N 0 0 425.551 1.630 50 0 IDAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000040050308 569484175 /nfs/dbraw/zinc/48/41/75/569484175.db2.gz PVXWSHZOLDJZKN-BXKMTCNYSA-N 0 0 444.495 1.829 50 0 IDAARN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000040052194 569484463 /nfs/dbraw/zinc/48/44/63/569484463.db2.gz HRXMGTJELOOVAB-PMACEKPBSA-N 0 0 441.528 1.953 50 0 IDAARN CC(C)C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCOCC1 ZINC000040072736 569485995 /nfs/dbraw/zinc/48/59/95/569485995.db2.gz IMBADQSSJBXBFC-LJQANCHMSA-N 0 0 438.594 1.345 50 0 IDAARN O=C(c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000040072733 569486009 /nfs/dbraw/zinc/48/60/09/569486009.db2.gz RGBPPNSHYTZKNC-UHFFFAOYSA-N 0 0 442.541 1.467 50 0 IDAARN O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040089225 569487062 /nfs/dbraw/zinc/48/70/62/569487062.db2.gz UGLKSHNRWYVFIJ-UHFFFAOYSA-N 0 0 425.894 1.877 50 0 IDAARN CN(CC(=O)N1CSC[C@@H]1C(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040089954 569487389 /nfs/dbraw/zinc/48/73/89/569487389.db2.gz GCYWWZFKSKEUSI-MRXNPFEDSA-N 0 0 445.994 1.875 50 0 IDAARN CN(CCCNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)S(C)(=O)=O ZINC000040099008 569487576 /nfs/dbraw/zinc/48/75/76/569487576.db2.gz WWVQDOAETXVLTL-UHFFFAOYSA-N 0 0 438.472 1.945 50 0 IDAARN COc1ccccc1COC[C@@H](O)CN1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000040105781 569488268 /nfs/dbraw/zinc/48/82/68/569488268.db2.gz XNJWXTLNFRZYAU-FQEVSTJZSA-N 0 0 429.565 1.708 50 0 IDAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NN1C(=O)NC2(CCCCC2)C1=O ZINC000008940862 569488339 /nfs/dbraw/zinc/48/83/39/569488339.db2.gz UBGNERBDAYMGDY-MRXNPFEDSA-N 0 0 428.489 1.881 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3noc4ccccc43)CC2)o1 ZINC000040106622 569488451 /nfs/dbraw/zinc/48/84/51/569488451.db2.gz DMVXJSVHXUTAHA-UHFFFAOYSA-N 0 0 447.469 1.673 50 0 IDAARN O=C(NCc1cccnc1-n1cncn1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000040108917 569488552 /nfs/dbraw/zinc/48/85/52/569488552.db2.gz MNZIANZTJWUMJI-SFHVURJKSA-N 0 0 426.502 1.522 50 0 IDAARN Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)nc21 ZINC000040108883 569488570 /nfs/dbraw/zinc/48/85/70/569488570.db2.gz RNUBBTGDYXFCRQ-UHFFFAOYSA-N 0 0 448.405 1.434 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000008944453 569488911 /nfs/dbraw/zinc/48/89/11/569488911.db2.gz GOIZRQGFCOLDNM-UHFFFAOYSA-N 0 0 441.554 1.146 50 0 IDAARN COc1ccc(CC(=O)NCCn2ncc3c2nc(SC)nc3N2CCOCC2)cc1 ZINC000008947414 569489094 /nfs/dbraw/zinc/48/90/94/569489094.db2.gz RAMSBZZEHCNPOD-UHFFFAOYSA-N 0 0 442.545 1.752 50 0 IDAARN CSc1nc2c(cnn2CCNC(=O)COc2ccc(F)cc2)c(N2CCOCC2)n1 ZINC000008947403 569489126 /nfs/dbraw/zinc/48/91/26/569489126.db2.gz XTUJHXQIEZKVSA-UHFFFAOYSA-N 0 0 446.508 1.719 50 0 IDAARN CSc1nc2c(cnn2CCNC(=O)c2ccc3c(c2)OCO3)c(N2CCOCC2)n1 ZINC000008947179 569489130 /nfs/dbraw/zinc/48/91/30/569489130.db2.gz CBZQGPRSXBJGQU-UHFFFAOYSA-N 0 0 442.501 1.544 50 0 IDAARN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000040129121 569489826 /nfs/dbraw/zinc/48/98/26/569489826.db2.gz LNTXFGJUOFJFMZ-SFHVURJKSA-N 0 0 432.481 1.793 50 0 IDAARN CC1=NN(c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)cc2)CC1 ZINC000040134199 569490497 /nfs/dbraw/zinc/49/04/97/569490497.db2.gz OCCBBJSPMOSRPO-UHFFFAOYSA-N 0 0 445.501 1.111 50 0 IDAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 ZINC000040134202 569490507 /nfs/dbraw/zinc/49/05/07/569490507.db2.gz CWMDCEPQDCIJPG-MRXNPFEDSA-N 0 0 429.502 1.154 50 0 IDAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)Cn3c4ccccc4[nH]c(=O)c3=O)ccc21 ZINC000040138912 569490742 /nfs/dbraw/zinc/49/07/42/569490742.db2.gz XZIKQOVRQVIYNX-ZDUSSCGKSA-N 0 0 435.436 1.413 50 0 IDAARN CNC(=O)Nc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000040139188 569490810 /nfs/dbraw/zinc/49/08/10/569490810.db2.gz KSACJVWQFDIVEA-UHFFFAOYSA-N 0 0 445.545 1.691 50 0 IDAARN Cc1c2cnn(CC(=O)NCCCN3CCCC3=O)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965383 569491420 /nfs/dbraw/zinc/49/14/20/569491420.db2.gz PWTCTORSIMWLEK-UHFFFAOYSA-N 0 0 435.528 1.992 50 0 IDAARN Cc1ncc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)s1 ZINC000040149559 569492600 /nfs/dbraw/zinc/49/26/00/569492600.db2.gz KHPLANQRJSWOKO-UHFFFAOYSA-N 0 0 426.539 1.556 50 0 IDAARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccncc1 ZINC000008971021 569492691 /nfs/dbraw/zinc/49/26/91/569492691.db2.gz UTOOWVLLAXVFOA-IERDGZPVSA-N 0 0 438.484 1.620 50 0 IDAARN O=C(NCCCN1CCN(c2ncccn2)CC1)c1nc(N2CCCC2)ncc1Cl ZINC000040153346 569493532 /nfs/dbraw/zinc/49/35/32/569493532.db2.gz HDIPUCRRZVXPHG-UHFFFAOYSA-N 0 0 430.944 1.462 50 0 IDAARN O=C(c1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c[nH]1)N1CCCC1 ZINC000040153135 569493587 /nfs/dbraw/zinc/49/35/87/569493587.db2.gz DFVBHPCJIQSNEL-UHFFFAOYSA-N 0 0 436.559 1.895 50 0 IDAARN Cc1ncc(CN(C)[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000040154602 569493751 /nfs/dbraw/zinc/49/37/51/569493751.db2.gz ZBQXTMIPNXQEAS-AWEZNQCLSA-N 0 0 438.575 1.931 50 0 IDAARN CN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2S1(=O)=O ZINC000040155143 569493899 /nfs/dbraw/zinc/49/38/99/569493899.db2.gz FJUASHVEGXJZFO-UHFFFAOYSA-N 0 0 449.510 1.498 50 0 IDAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000040158975 569494659 /nfs/dbraw/zinc/49/46/59/569494659.db2.gz KNNFNCQOPFDARY-UHFFFAOYSA-N 0 0 438.831 1.850 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000008987069 569494898 /nfs/dbraw/zinc/49/48/98/569494898.db2.gz JKRXVSLMUSAUSQ-AOMKIAJQSA-N 0 0 425.441 1.418 50 0 IDAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008987084 569494899 /nfs/dbraw/zinc/49/48/99/569494899.db2.gz UTBOQXQJSBRGLL-UHFFFAOYSA-N 0 0 448.526 1.148 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccncc1 ZINC000008991046 569495251 /nfs/dbraw/zinc/49/52/51/569495251.db2.gz FNEPXKDMAAULBG-MRXNPFEDSA-N 0 0 434.493 1.054 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccccn3)C2)cc1 ZINC000008992267 569495383 /nfs/dbraw/zinc/49/53/83/569495383.db2.gz YVHXCLKNFATICF-OAHLLOKOSA-N 0 0 432.502 1.246 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccncc1 ZINC000008993298 569495404 /nfs/dbraw/zinc/49/54/04/569495404.db2.gz CGEYYPYHFSQQBJ-AWEZNQCLSA-N 0 0 436.921 1.891 50 0 IDAARN COc1ccc(C(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1OC ZINC000009001212 569495932 /nfs/dbraw/zinc/49/59/32/569495932.db2.gz KBDIQKPGUGLCCG-UHFFFAOYSA-N 0 0 432.436 1.902 50 0 IDAARN CC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1 ZINC000009001386 569495981 /nfs/dbraw/zinc/49/59/81/569495981.db2.gz OVKNMQMYQFYRCY-UHFFFAOYSA-N 0 0 429.436 1.843 50 0 IDAARN COc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)c(OC)c1 ZINC000009001598 569496016 /nfs/dbraw/zinc/49/60/16/569496016.db2.gz GOHPSARWXDSMRW-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000245015234 569496945 /nfs/dbraw/zinc/49/69/45/569496945.db2.gz LSGVECZKXOQTPM-UHFFFAOYSA-N 0 0 444.513 1.680 50 0 IDAARN CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)C2)c1F ZINC000245053642 569497088 /nfs/dbraw/zinc/49/70/88/569497088.db2.gz PEFSKJQDOFHPFZ-OAHLLOKOSA-N 0 0 446.504 1.855 50 0 IDAARN Cc1c(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)c(=O)n(-c2ccccc2)n1C ZINC000245053686 569497099 /nfs/dbraw/zinc/49/70/99/569497099.db2.gz PGDFYOMNZHCJOJ-UHFFFAOYSA-N 0 0 430.472 1.535 50 0 IDAARN NC(=[NH2+])NCCCC[C@@H](NC(=O)CCCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000009033381 569497142 /nfs/dbraw/zinc/49/71/42/569497142.db2.gz GERRYTJYUNNIQZ-QGZVFWFLSA-N 0 0 435.525 1.696 50 0 biogenic IDAARN CCOc1ccc(S(=O)(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc1F ZINC000245130837 569497504 /nfs/dbraw/zinc/49/75/04/569497504.db2.gz VABLZPNNPNKGAE-UHFFFAOYSA-N 0 0 429.495 1.704 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000009047270 569498467 /nfs/dbraw/zinc/49/84/67/569498467.db2.gz OKQANVRDSRVVJW-OAHLLOKOSA-N 0 0 427.954 1.869 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)N(C)Cc2ccccc2)[C@H](C)O)cc1 ZINC000009052076 569498727 /nfs/dbraw/zinc/49/87/27/569498727.db2.gz FCUGJRISIZQPDB-OXJNMPFZSA-N 0 0 434.514 1.225 50 0 IDAARN COc1c2c(c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c3c1CN(C)CC3)OCO2 ZINC000040309991 569498819 /nfs/dbraw/zinc/49/88/19/569498819.db2.gz ACVLNBZZRODKQF-UHFFFAOYSA-N 0 0 445.541 1.923 50 0 biogenic IDAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CCC2 ZINC000009086596 569500678 /nfs/dbraw/zinc/50/06/78/569500678.db2.gz YUDHBOLSHLMADR-UHFFFAOYSA-N 0 0 435.527 1.609 50 0 IDAARN COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000009094975 569501309 /nfs/dbraw/zinc/50/13/09/569501309.db2.gz FROQQNWYCMGSIU-UHFFFAOYSA-N 0 0 431.514 1.511 50 0 IDAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCOCC3)cc21 ZINC000040450256 569506291 /nfs/dbraw/zinc/50/62/91/569506291.db2.gz OEENYAQSNIOLAD-UHFFFAOYSA-N 0 0 445.335 1.381 50 0 IDAARN COc1ccc(Nc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1 ZINC000009097177 569501525 /nfs/dbraw/zinc/50/15/25/569501525.db2.gz SUVRLROPMHRAOU-UHFFFAOYSA-N 0 0 434.456 1.825 50 0 IDAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000009111976 569502407 /nfs/dbraw/zinc/50/24/07/569502407.db2.gz YXKDMTVGNAXVIP-OXJNMPFZSA-N 0 0 437.493 1.161 50 0 IDAARN O=C(c1ccccc1)N1CSC[C@H]1C(=O)N1CCCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000069384784 569504126 /nfs/dbraw/zinc/50/41/26/569504126.db2.gz KNNPMKHBTGIQOH-SFHVURJKSA-N 0 0 440.525 1.265 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccccc2OC)n(C)c1=O ZINC000009124597 569504376 /nfs/dbraw/zinc/50/43/76/569504376.db2.gz PSCPRYORYAZAIH-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1OC ZINC000009126080 569504800 /nfs/dbraw/zinc/50/48/00/569504800.db2.gz OHSFNRFKGACAFS-UHFFFAOYSA-N 0 0 430.490 1.190 50 0 IDAARN CC(C)CCn1cnc2c1c(=O)n(CC(=O)N1CCNC1=O)c(=O)n2Cc1ccccc1 ZINC000009126476 569504926 /nfs/dbraw/zinc/50/49/26/569504926.db2.gz DAFRALISYWOLPA-UHFFFAOYSA-N 0 0 438.488 1.006 50 0 IDAARN COCCn1c(-c2ccc(Br)cc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000009126750 569505073 /nfs/dbraw/zinc/50/50/73/569505073.db2.gz AAMFOMOWGCDYSF-UHFFFAOYSA-N 0 0 432.278 1.762 50 0 IDAARN CCCNC(=O)CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1 ZINC000009127120 569505077 /nfs/dbraw/zinc/50/50/77/569505077.db2.gz UDOSWFYKMJOWJP-UHFFFAOYSA-N 0 0 438.937 1.812 50 0 IDAARN Cc1csc2nc(CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)cc(=O)n12 ZINC000009127044 569505087 /nfs/dbraw/zinc/50/50/87/569505087.db2.gz KDIKSXMLLYZHFB-UHFFFAOYSA-N 0 0 438.556 1.773 50 0 IDAARN O=C([O-])CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000009130329 569505993 /nfs/dbraw/zinc/50/59/93/569505993.db2.gz DERHFNHEHXFYBG-XNLPXUEMSA-N 0 0 447.875 1.104 50 0 IDAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(F)cc2F)c3=O)c1 ZINC000040478138 569506752 /nfs/dbraw/zinc/50/67/52/569506752.db2.gz VNLVIOHLHDDSFR-UHFFFAOYSA-N 0 0 426.383 1.962 50 0 IDAARN Cn1c(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)nc2ccccc21 ZINC000009157019 569508390 /nfs/dbraw/zinc/50/83/90/569508390.db2.gz JQFHTRYNSDKQSK-INIZCTEOSA-N 0 0 428.514 1.961 50 0 IDAARN Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000069596031 569508762 /nfs/dbraw/zinc/50/87/62/569508762.db2.gz ONJOLLPGLQJAAY-ZIAGYGMSSA-N 0 0 433.534 1.143 50 0 IDAARN O=C(Cn1cnc2sccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009169994 569509217 /nfs/dbraw/zinc/50/92/17/569509217.db2.gz BSWHTDMZVNIWPR-UHFFFAOYSA-N 0 0 434.499 1.118 50 0 IDAARN CC(C)[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009184394 569509938 /nfs/dbraw/zinc/50/99/38/569509938.db2.gz RVBXWYYNNZLCTM-VQIMIIECSA-N 0 0 437.562 1.347 50 0 IDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nccs1 ZINC000009184131 569509945 /nfs/dbraw/zinc/50/99/45/569509945.db2.gz CTGMIVDFHSZKNX-STQMWFEESA-N 0 0 440.522 1.826 50 0 IDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(OC)c(OC)c3)c2N)cc1 ZINC000009226817 569513324 /nfs/dbraw/zinc/51/33/24/569513324.db2.gz 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Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 ZINC000069778909 569517767 /nfs/dbraw/zinc/51/77/67/569517767.db2.gz DWRXUKDSMMBOMB-OAHLLOKOSA-N 0 0 426.521 1.913 50 0 IDAARN Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 ZINC000069778907 569517796 /nfs/dbraw/zinc/51/77/96/569517796.db2.gz DWRXUKDSMMBOMB-HNNXBMFYSA-N 0 0 426.521 1.913 50 0 IDAARN O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009283363 569518879 /nfs/dbraw/zinc/51/88/79/569518879.db2.gz JUNZDZLEPLDERF-UHFFFAOYSA-N 0 0 425.397 1.772 50 0 IDAARN CN(C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009302785 569520920 /nfs/dbraw/zinc/52/09/20/569520920.db2.gz LZYBUUPWGWSNGK-QTNMRXCUSA-N 0 0 426.491 1.898 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccn1 ZINC000009303644 569521066 /nfs/dbraw/zinc/52/10/66/569521066.db2.gz KYGJJJBPGMFWJI-MRXNPFEDSA-N 0 0 448.520 1.444 50 0 IDAARN O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccn1 ZINC000009305891 569521304 /nfs/dbraw/zinc/52/13/04/569521304.db2.gz DSFJFRDYCYXQPU-HNNXBMFYSA-N 0 0 434.493 1.766 50 0 IDAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=S)NCc3ccc4c(c3)OCO4)C2=O)c1 ZINC000009315440 569522106 /nfs/dbraw/zinc/52/21/06/569522106.db2.gz IGSOOKSNIGYOBX-HXUWFJFHSA-N 0 0 428.470 1.770 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cncc(Br)c2)c1 ZINC000009335212 569523270 /nfs/dbraw/zinc/52/32/70/569523270.db2.gz WNDKSHNKBFVRNP-UHFFFAOYSA-N 0 0 442.291 1.890 50 0 IDAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1cccnc1 ZINC000009340606 569523842 /nfs/dbraw/zinc/52/38/42/569523842.db2.gz RKSQYXICRAPZCN-DOTOQJQBSA-N 0 0 448.520 1.443 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1cccnc1 ZINC000009340662 569523851 /nfs/dbraw/zinc/52/38/51/569523851.db2.gz SMPUMPNHWWGGBT-GOSISDBHSA-N 0 0 430.530 1.305 50 0 IDAARN O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1 ZINC000009340264 569523870 /nfs/dbraw/zinc/52/38/70/569523870.db2.gz 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Cc1cc(C)cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 ZINC000009407875 569530421 /nfs/dbraw/zinc/53/04/21/569530421.db2.gz DUTAYHAPIFTBHI-UHFFFAOYSA-N 0 0 429.498 1.657 50 0 IDAARN CC1(C)Cc2c(sc3c2c(=O)n(CCO)c(=O)n3CC(=O)Nc2nccs2)CO1 ZINC000009410503 569531432 /nfs/dbraw/zinc/53/14/32/569531432.db2.gz KDHCCACNQZJXKV-UHFFFAOYSA-N 0 0 436.515 1.164 50 0 IDAARN CCOc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)cc1 ZINC000009412838 569531665 /nfs/dbraw/zinc/53/16/65/569531665.db2.gz WTWHIZDNJXVWIE-UHFFFAOYSA-N 0 0 448.439 1.786 50 0 IDAARN C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009415819 569532281 /nfs/dbraw/zinc/53/22/81/569532281.db2.gz SIDCRQDCCKZEOJ-NWDGAFQWSA-N 0 0 438.531 1.640 50 0 IDAARN COc1ccc(NCCn2c(C)c(C)n3c2nc2c3c(=O)n(C)c(=O)n2C)c(OC)c1 ZINC000009421309 569532779 /nfs/dbraw/zinc/53/27/79/569532779.db2.gz UZYUOZHQOXTWIE-UHFFFAOYSA-N 0 0 426.477 1.433 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)CC1 ZINC000009430703 569533959 /nfs/dbraw/zinc/53/39/59/569533959.db2.gz NSDWSGUWPYYNLA-LBPRGKRZSA-N 0 0 425.532 1.533 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(O)cc1 ZINC000009438602 569534975 /nfs/dbraw/zinc/53/49/75/569534975.db2.gz FMWVUUFAXKZIIC-UHFFFAOYSA-N 0 0 434.470 1.517 50 0 IDAARN CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000009439537 569535109 /nfs/dbraw/zinc/53/51/09/569535109.db2.gz XVYKSOYPVZXTCO-UHFFFAOYSA-N 0 0 449.510 1.396 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000009441864 569535427 /nfs/dbraw/zinc/53/54/27/569535427.db2.gz WNLSOBRWVMPZMK-UHFFFAOYSA-N 0 0 446.525 1.760 50 0 IDAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C[C@H](C)O1 ZINC000009443874 569535722 /nfs/dbraw/zinc/53/57/22/569535722.db2.gz ZXQIEBHFFJMYIP-STQMWFEESA-N 0 0 443.481 1.620 50 0 IDAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009463954 569537562 /nfs/dbraw/zinc/53/75/62/569537562.db2.gz SLWOLCOSOUAHBU-SFHVURJKSA-N 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COc1ccc(CCNC(=O)c2nnn(-c3ccc(OC)c(OC)c3)c2N)cc1OC ZINC000009530754 569545025 /nfs/dbraw/zinc/54/50/25/569545025.db2.gz WQPBCOYPRHALHO-UHFFFAOYSA-N 0 0 427.461 1.856 50 0 IDAARN COCCn1cnc2c1c(=O)n(Cc1ccc(C(=O)OC)cc1)c(=O)n2Cc1ccccc1 ZINC000009540567 569545843 /nfs/dbraw/zinc/54/58/43/569545843.db2.gz YKRBFPUCXIEHTI-UHFFFAOYSA-N 0 0 448.479 1.889 50 0 IDAARN O=C(COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)NC(=O)NC1CCCC1 ZINC000009545954 569546181 /nfs/dbraw/zinc/54/61/81/569546181.db2.gz KQZGLOGEMRVVMM-UHFFFAOYSA-N 0 0 433.486 1.430 50 0 IDAARN Cn1c2nc(NC[C@H]3CCCO3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000009546475 569546334 /nfs/dbraw/zinc/54/63/34/569546334.db2.gz GVVZLRBKVMWAAI-CQSZACIVSA-N 0 0 448.321 1.835 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009547653 569546378 /nfs/dbraw/zinc/54/63/78/569546378.db2.gz WWLWFVDRBGUAOT-NSHDSACASA-N 0 0 432.458 1.323 50 0 IDAARN O=C(CSc1nnc([C@H]2CCS(=O)(=O)C2)o1)NC[C@@H]1COc2ccccc2O1 ZINC000009548887 569546550 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1.851 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC(C)C)cc1C ZINC000009577421 569548198 /nfs/dbraw/zinc/54/81/98/569548198.db2.gz SDHZGXACCBBJPA-SFHVURJKSA-N 0 0 441.550 1.019 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)NC(=O)N[C@@H]1C ZINC000009579517 569548492 /nfs/dbraw/zinc/54/84/92/569548492.db2.gz CIIHJRJJHGHUGI-ZIAGYGMSSA-N 0 0 445.472 1.418 50 0 IDAARN Cc1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1-c1ccccc1 ZINC000009580730 569548834 /nfs/dbraw/zinc/54/88/34/569548834.db2.gz ZRMWMXHICSPRKC-UHFFFAOYSA-N 0 0 431.543 1.674 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)CC1 ZINC000070637590 569548925 /nfs/dbraw/zinc/54/89/25/569548925.db2.gz ZHUWAAXPUHLDLP-UHFFFAOYSA-N 0 0 429.546 1.464 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)CC1 ZINC000070638522 569549016 /nfs/dbraw/zinc/54/90/16/569549016.db2.gz JDOIKKSHSJGKPY-UHFFFAOYSA-N 0 0 438.531 1.545 50 0 IDAARN COC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000009586088 569549595 /nfs/dbraw/zinc/54/95/95/569549595.db2.gz LEWQKTJDGXWINZ-QUCCMNQESA-N 0 0 447.509 1.957 50 0 IDAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NCCCOC(C)C)c2=O ZINC000009589609 569550013 /nfs/dbraw/zinc/55/00/13/569550013.db2.gz NYPXPNVSYOMZFL-UHFFFAOYSA-N 0 0 433.505 1.968 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1 ZINC000070655814 569550045 /nfs/dbraw/zinc/55/00/45/569550045.db2.gz TYQWJQXVTIHGSU-UHFFFAOYSA-N 0 0 426.498 1.591 50 0 IDAARN NC(=O)c1nn(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)c2ccccc21 ZINC000009591811 569550253 /nfs/dbraw/zinc/55/02/53/569550253.db2.gz IDHHBWLLFKBQRN-UHFFFAOYSA-N 0 0 433.468 1.807 50 0 IDAARN Cn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000009592592 569550365 /nfs/dbraw/zinc/55/03/65/569550365.db2.gz PHCWECSHAQCQNQ-LBPRGKRZSA-N 0 0 437.547 1.256 50 0 IDAARN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009593676 569550476 /nfs/dbraw/zinc/55/04/76/569550476.db2.gz HKVWNETWUBSIDQ-UHFFFAOYSA-N 0 0 444.517 1.333 50 0 IDAARN CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000009599592 569551255 /nfs/dbraw/zinc/55/12/55/569551255.db2.gz RGZFHMDYNVSBKG-OAHLLOKOSA-N 0 0 443.481 1.622 50 0 IDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1 ZINC000009600300 569551477 /nfs/dbraw/zinc/55/14/77/569551477.db2.gz CKWWPAJXNHRGCO-KRWDZBQOSA-N 0 0 437.905 1.120 50 0 IDAARN CC(C)CNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009630677 569553662 /nfs/dbraw/zinc/55/36/62/569553662.db2.gz VCZYMVCUDTXJGA-HNNXBMFYSA-N 0 0 445.925 1.518 50 0 IDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009633785 569554334 /nfs/dbraw/zinc/55/43/34/569554334.db2.gz NUYOWRGJDGUJCM-LLVKDONJSA-N 0 0 429.347 1.307 50 0 IDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009633786 569554364 /nfs/dbraw/zinc/55/43/64/569554364.db2.gz NUYOWRGJDGUJCM-NSHDSACASA-N 0 0 429.347 1.307 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)cc1 ZINC000009660407 569556834 /nfs/dbraw/zinc/55/68/34/569556834.db2.gz UCQWASCFMQEZPO-AWEZNQCLSA-N 0 0 448.483 1.753 50 0 IDAARN Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000009661304 569557018 /nfs/dbraw/zinc/55/70/18/569557018.db2.gz IFMCADMSKHDMIO-UHFFFAOYSA-N 0 0 431.452 1.867 50 0 IDAARN Cc1noc(C)c1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000009663296 569557210 /nfs/dbraw/zinc/55/72/10/569557210.db2.gz LQISGIBUVBKYIC-UHFFFAOYSA-N 0 0 437.474 1.416 50 0 IDAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c1 ZINC000009667739 569557880 /nfs/dbraw/zinc/55/78/80/569557880.db2.gz IZQORSHFYKQWRV-UHFFFAOYSA-N 0 0 448.501 1.299 50 0 IDAARN CN(Cc1ccc2c(c1)OCO2)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000009671364 569558531 /nfs/dbraw/zinc/55/85/31/569558531.db2.gz PUZXSMVOKAJZOE-UHFFFAOYSA-N 0 0 434.470 1.514 50 0 IDAARN COCCCNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br ZINC000009672087 569558734 /nfs/dbraw/zinc/55/87/34/569558734.db2.gz RGFZUNRKYPHERE-GFCCVEGCSA-N 0 0 435.340 1.673 50 0 IDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3OC)c2N)c(OC)c1 ZINC000009677921 569559605 /nfs/dbraw/zinc/55/96/05/569559605.db2.gz HXMRKPSBWCMXNS-UHFFFAOYSA-N 0 0 440.460 1.455 50 0 IDAARN COc1ccc(CNC(=O)[C@H](C)N2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009683090 569560278 /nfs/dbraw/zinc/56/02/78/569560278.db2.gz ISYCDTVQVSFOSE-WHEQGISXSA-N 0 0 425.441 1.896 50 0 IDAARN Cc1nn(-c2ccccc2)c2c1N(CC(=O)N1CCC3(CC1)OCCO3)C(=O)CS2 ZINC000009687041 569560774 /nfs/dbraw/zinc/56/07/74/569560774.db2.gz IIUMCWPOJBMJMV-UHFFFAOYSA-N 0 0 428.514 1.985 50 0 biogenic IDAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000009690824 569560958 /nfs/dbraw/zinc/56/09/58/569560958.db2.gz PDKMFOFXBKIMFD-QGZVFWFLSA-N 0 0 428.474 1.372 50 0 IDAARN Nc1nccnc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000009691307 569560982 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0 0 445.863 1.672 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000009713083 569562517 /nfs/dbraw/zinc/56/25/17/569562517.db2.gz WBOLXFHZIZKQCN-UHFFFAOYSA-N 0 0 446.529 1.410 50 0 IDAARN COc1ccccc1-n1c(-c2ccccc2)cn2c1nc1c2c(=O)n(CC(N)=O)c(=O)n1C ZINC000009713297 569562532 /nfs/dbraw/zinc/56/25/32/569562532.db2.gz GYJKTDWJYRQXPJ-UHFFFAOYSA-N 0 0 444.451 1.300 50 0 IDAARN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009722403 569563430 /nfs/dbraw/zinc/56/34/30/569563430.db2.gz ZIKLQGDAYKPAJD-UHFFFAOYSA-N 0 0 440.504 1.252 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000070924478 569563557 /nfs/dbraw/zinc/56/35/57/569563557.db2.gz WRAGVFSCFMPBGB-UHFFFAOYSA-N 0 0 437.543 1.663 50 0 IDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009724981 569563792 /nfs/dbraw/zinc/56/37/92/569563792.db2.gz YRDDBHRDOCROBQ-MRXNPFEDSA-N 0 0 428.466 1.966 50 0 IDAARN CC(=O)c1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000009727015 569563932 /nfs/dbraw/zinc/56/39/32/569563932.db2.gz VLUBOCUQFXTMDV-UHFFFAOYSA-N 0 0 433.486 1.525 50 0 IDAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000009727622 569564050 /nfs/dbraw/zinc/56/40/50/569564050.db2.gz YCBLFBNMBAXGAZ-BEFAXECRSA-N 0 0 439.921 1.285 50 0 IDAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000009727625 569564058 /nfs/dbraw/zinc/56/40/58/569564058.db2.gz YCBLFBNMBAXGAZ-DNVCBOLYSA-N 0 0 439.921 1.285 50 0 IDAARN COc1ccc(CC(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1OC ZINC000070933480 569564156 /nfs/dbraw/zinc/56/41/56/569564156.db2.gz XKGMYAARZZBCKO-UHFFFAOYSA-N 0 0 433.530 1.858 50 0 IDAARN CC(C)[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)OCCCO2 ZINC000009731469 569564613 /nfs/dbraw/zinc/56/46/13/569564613.db2.gz GOFMZHQFUQNEGU-SFHVURJKSA-N 0 0 441.488 1.109 50 0 IDAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000009741508 569565261 /nfs/dbraw/zinc/56/52/61/569565261.db2.gz JFNUFGVWVBCUPG-WMLDXEAASA-N 0 0 440.518 1.814 50 0 IDAARN Cn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F ZINC000009741472 569565269 /nfs/dbraw/zinc/56/52/69/569565269.db2.gz OMDUZCPDXUKGSV-MNOVXSKESA-N 0 0 442.485 1.121 50 0 IDAARN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000009762553 569566483 /nfs/dbraw/zinc/56/64/83/569566483.db2.gz UWRSMHYKYWQDQM-QUCCMNQESA-N 0 0 438.553 1.991 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000009764159 569566694 /nfs/dbraw/zinc/56/66/94/569566694.db2.gz ODQTXOYZZFLIOU-OAQYLSRUSA-N 0 0 443.525 1.216 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000009764163 569566726 /nfs/dbraw/zinc/56/67/26/569566726.db2.gz ZOVXFMBIJCBVIK-OAQYLSRUSA-N 0 0 443.525 1.216 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000009767988 569566964 /nfs/dbraw/zinc/56/69/64/569566964.db2.gz NCNLSSBSQORULQ-UHFFFAOYSA-N 0 0 439.559 1.337 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCCC3)c3ccccc3c2=O)cc1OC ZINC000009776211 569567069 /nfs/dbraw/zinc/56/70/69/569567069.db2.gz QXLAEGZEBXTGFT-UHFFFAOYSA-N 0 0 436.468 1.755 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccccn3)c3ccccc3c2=O)cc1 ZINC000009779737 569567436 /nfs/dbraw/zinc/56/74/36/569567436.db2.gz PCUWEIIQQGZZRQ-UHFFFAOYSA-N 0 0 443.463 1.836 50 0 IDAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009779692 569567456 /nfs/dbraw/zinc/56/74/56/569567456.db2.gz AIFFOGYJHBWJJU-CYBMUJFWSA-N 0 0 440.319 1.337 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000009781584 569567593 /nfs/dbraw/zinc/56/75/93/569567593.db2.gz IWCUZOMYAHQKOA-UHFFFAOYSA-N 0 0 439.559 1.865 50 0 IDAARN COc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000009806257 569568882 /nfs/dbraw/zinc/56/88/82/569568882.db2.gz ZFBUYZIELCPJLQ-MRXNPFEDSA-N 0 0 431.514 1.912 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000009806179 569568886 /nfs/dbraw/zinc/56/88/86/569568886.db2.gz HRPWDFRNWDNAHM-GOSISDBHSA-N 0 0 433.505 1.720 50 0 IDAARN Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009822645 569569550 /nfs/dbraw/zinc/56/95/50/569569550.db2.gz ZMXCDCSVJBRIJN-ZDUSSCGKSA-N 0 0 436.447 1.883 50 0 IDAARN CCOC(=O)CCn1c(=O)c2c(nc3n2cc(C)n3-c2cccc(OC)c2)n(C)c1=O ZINC000009829387 569570078 /nfs/dbraw/zinc/57/00/78/569570078.db2.gz HLMAPPGSNDUWEI-UHFFFAOYSA-N 0 0 425.445 1.409 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cccc(Cl)c2)n(C)c1=O ZINC000009829497 569570130 /nfs/dbraw/zinc/57/01/30/569570130.db2.gz IOPYHSVHOMGZBG-UHFFFAOYSA-N 0 0 429.864 1.972 50 0 IDAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000009833902 569570487 /nfs/dbraw/zinc/57/04/87/569570487.db2.gz JLHCTKSDBMBRRE-CRAIPNDOSA-N 0 0 434.452 1.587 50 0 IDAARN Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CO2 ZINC000009834180 569570602 /nfs/dbraw/zinc/57/06/02/569570602.db2.gz LZPLMHHGNNFEGL-UHFFFAOYSA-N 0 0 426.498 1.757 50 0 IDAARN COc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)NC(C)(C)C)c2=O)cc1OC ZINC000009843926 569570906 /nfs/dbraw/zinc/57/09/06/569570906.db2.gz MXRULWOYMBXNBF-UHFFFAOYSA-N 0 0 440.500 1.733 50 0 IDAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000009873658 569572548 /nfs/dbraw/zinc/57/25/48/569572548.db2.gz YPTDJVZPOXMRTB-UHFFFAOYSA-N 0 0 429.502 1.932 50 0 IDAARN O=C(Cc1cn2ccsc2n1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009876387 569572691 /nfs/dbraw/zinc/57/26/91/569572691.db2.gz MKGGGXRTTYSTFS-UHFFFAOYSA-N 0 0 430.555 1.960 50 0 IDAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O ZINC000009876874 569572694 /nfs/dbraw/zinc/57/26/94/569572694.db2.gz YQNKURXYKFCFCR-QGZVFWFLSA-N 0 0 441.484 1.966 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)N(CCc1cccs1)Cc1cccs1)c(=O)n2C ZINC000009884804 569572801 /nfs/dbraw/zinc/57/28/01/569572801.db2.gz ITMWGQXZGQWSDS-UHFFFAOYSA-N 0 0 443.554 1.828 50 0 IDAARN Cc1ccc(OCCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c(C)c1 ZINC000009888702 569572921 /nfs/dbraw/zinc/57/29/21/569572921.db2.gz UWAGYTZKVJQRSD-UHFFFAOYSA-N 0 0 433.530 1.596 50 0 IDAARN Cc1cc(=O)c(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)nn1-c1ccccc1 ZINC000009899271 569573085 /nfs/dbraw/zinc/57/30/85/569573085.db2.gz DVMCLNFMBDLQKR-UHFFFAOYSA-N 0 0 426.498 1.721 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000009913052 569573285 /nfs/dbraw/zinc/57/32/85/569573285.db2.gz ONNOAYULDAGBGM-FQEVSTJZSA-N 0 0 444.469 1.414 50 0 IDAARN Cc1ccc(N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c(C)c1 ZINC000071281609 569573691 /nfs/dbraw/zinc/57/36/91/569573691.db2.gz XNMBSEZWRSMYAK-QGZVFWFLSA-N 0 0 432.546 1.118 50 0 IDAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000009957803 569574791 /nfs/dbraw/zinc/57/47/91/569574791.db2.gz AXBDYPMEDOHUBP-UHFFFAOYSA-N 0 0 441.465 1.837 50 0 IDAARN CCCCn1c(N)c(N(CC)C(=O)[C@H]2CCCN2C(=O)c2cccs2)c(=O)[nH]c1=O ZINC000009960708 569575419 /nfs/dbraw/zinc/57/54/19/569575419.db2.gz DHNWIMFFRCCOOM-CYBMUJFWSA-N 0 0 433.534 1.638 50 0 IDAARN O=C(CNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)NCc1ccc2c(c1)OCO2 ZINC000009987924 569576858 /nfs/dbraw/zinc/57/68/58/569576858.db2.gz QRROSOAXGWMLFG-UHFFFAOYSA-N 0 0 435.483 1.054 50 0 IDAARN O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000010109525 569577935 /nfs/dbraw/zinc/57/79/35/569577935.db2.gz GQUZQBANGJWXTO-KRWDZBQOSA-N 0 0 441.509 1.730 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)CC1 ZINC000010131856 569578027 /nfs/dbraw/zinc/57/80/27/569578027.db2.gz CCYNBMSOZIXFNG-UHFFFAOYSA-N 0 0 430.461 1.228 50 0 IDAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COC(=O)c1nccnc1N ZINC000010141093 569578134 /nfs/dbraw/zinc/57/81/34/569578134.db2.gz PYWQCAUAAXQFRI-UHFFFAOYSA-N 0 0 445.785 1.985 50 0 IDAARN CCCNC(=O)NC(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1CC ZINC000010201198 569578908 /nfs/dbraw/zinc/57/89/08/569578908.db2.gz YRSDISUGFVSFAZ-UHFFFAOYSA-N 0 0 432.550 1.994 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)CSc2[nH]c(=O)nc(C)c2C(=O)OCC)n1 ZINC000010213767 569579108 /nfs/dbraw/zinc/57/91/08/569579108.db2.gz ZKTLKOCDMLLUKJ-UHFFFAOYSA-N 0 0 440.503 1.548 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1CCOCCO ZINC000010233640 569579634 /nfs/dbraw/zinc/57/96/34/569579634.db2.gz WFZRNMMSEZGBER-UHFFFAOYSA-N 0 0 439.516 1.440 50 0 IDAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCCc1ccccc1)CS(=O)(=O)C2 ZINC000010250602 569579784 /nfs/dbraw/zinc/57/97/84/569579784.db2.gz BRZIXPFVBJUJEV-UHFFFAOYSA-N 0 0 438.509 1.907 50 0 IDAARN COc1ccccc1CCNC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 ZINC000010250678 569579803 /nfs/dbraw/zinc/57/98/03/569579803.db2.gz UOGHAANRNYVLMQ-UHFFFAOYSA-N 0 0 434.518 1.373 50 0 IDAARN Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccnc2)CS(=O)(=O)C3)c1 ZINC000010250555 569579813 /nfs/dbraw/zinc/57/98/13/569579813.db2.gz MZNIGGABGDROGG-UHFFFAOYSA-N 0 0 425.470 1.259 50 0 IDAARN Cc1ccc(S(=O)(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2N)cc1 ZINC000071771781 569580866 /nfs/dbraw/zinc/58/08/66/569580866.db2.gz XENLSDJYHRXESJ-UHFFFAOYSA-N 0 0 427.486 1.755 50 0 IDAARN CCOC(=O)C[C@@H](NC(=O)CSc1nnnn1-c1cccnc1)c1ccc(OC)cc1 ZINC000010337210 569581200 /nfs/dbraw/zinc/58/12/00/569581200.db2.gz HJJCFXXGJKSQKL-QGZVFWFLSA-N 0 0 442.501 1.969 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c3c(nc2N2CCC(C)CC2)n(C)c(=O)n(C)c3=O)c1 ZINC000010386230 569581765 /nfs/dbraw/zinc/58/17/65/569581765.db2.gz IBBBEHMRFNKUGI-KRWDZBQOSA-N 0 0 441.532 1.418 50 0 IDAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nncn1-c1ccccc1 ZINC000095457332 569583655 /nfs/dbraw/zinc/58/36/55/569583655.db2.gz CITFVDDUXIDDBU-KRWDZBQOSA-N 0 0 438.513 2.503 50 0 IDAARN COC(=O)c1nc(NC(=O)COc2cn(C)c(C)cc2=O)sc1Cc1ccccc1 ZINC000095472413 569583750 /nfs/dbraw/zinc/58/37/50/569583750.db2.gz YSPUTKLXEKDMPY-UHFFFAOYSA-N 0 0 427.482 2.545 50 0 IDAARN CCNc1nc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)nn2c(NCC)n1 ZINC000019833484 569583976 /nfs/dbraw/zinc/58/39/76/569583976.db2.gz VKVGLGLJNMZWNH-UHFFFAOYSA-N 0 0 430.494 1.900 50 0 IDAARN CCOC(=O)c1sc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1C ZINC000049550085 569584350 /nfs/dbraw/zinc/58/43/50/569584350.db2.gz CYHUJQIMKAGIMK-UHFFFAOYSA-N 0 0 449.508 2.238 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1=O)N1CCOCC1 ZINC000077100251 569585358 /nfs/dbraw/zinc/58/53/58/569585358.db2.gz REJKCDYPTUYEBN-UHFFFAOYSA-N 0 0 442.863 1.194 50 0 IDAARN Cn1nc(C2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)n(-c2ccccc2)c1=O ZINC000077100653 569585411 /nfs/dbraw/zinc/58/54/11/569585411.db2.gz IWABKYLQJIZXDP-UHFFFAOYSA-N 0 0 449.511 1.796 50 0 IDAARN CCn1c(=O)n(CCOC)nc1C1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000077147296 569585663 /nfs/dbraw/zinc/58/56/63/569585663.db2.gz IABKNTPNDYYCJV-FNORWQNLSA-N 0 0 428.489 1.859 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)CC2=O)c1 ZINC000077148668 569585728 /nfs/dbraw/zinc/58/57/28/569585728.db2.gz XHKZDDQFLRSPBR-INIZCTEOSA-N 0 0 439.516 1.684 50 0 IDAARN NC(=O)c1ccc(NC(=O)CN2CCN(CCn3ccnc3-c3ccccc3)CC2)cc1 ZINC000077159565 569585761 /nfs/dbraw/zinc/58/57/61/569585761.db2.gz OGVLSKOTYDRBBZ-UHFFFAOYSA-N 0 0 432.528 1.905 50 0 IDAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177433 569585813 /nfs/dbraw/zinc/58/58/13/569585813.db2.gz MDVWKVBVAIPMJA-CYBMUJFWSA-N 0 0 429.477 1.991 50 0 IDAARN O=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)NCCc1cccc2cccnc21 ZINC000078336330 569586622 /nfs/dbraw/zinc/58/66/22/569586622.db2.gz LVUHLMHVRODVRH-UHFFFAOYSA-N 0 0 442.527 1.691 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000625938 193861307 /nfs/dbraw/zinc/86/13/07/193861307.db2.gz OCDDXNNBGISUTN-QGZVFWFLSA-N 0 0 441.532 1.927 50 0 IDAARN COc1ccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000627947 193862028 /nfs/dbraw/zinc/86/20/28/193862028.db2.gz FHXDTEUHBWWNBO-OAHLLOKOSA-N 0 0 443.504 1.252 50 0 IDAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000006149644 193885674 /nfs/dbraw/zinc/88/56/74/193885674.db2.gz CDXOYDBUOZLHMX-OAHLLOKOSA-N 0 0 445.520 1.864 50 0 IDAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@H]1COc2ccccc2O1 ZINC000009833909 193900126 /nfs/dbraw/zinc/90/01/26/193900126.db2.gz JLHCTKSDBMBRRE-MAUKXSAKSA-N 0 0 434.452 1.587 50 0 IDAARN O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)NCc1ccc2c(c1)OCO2 ZINC000009857512 193909283 /nfs/dbraw/zinc/90/92/83/193909283.db2.gz NYWASCWWZWCLNF-UHFFFAOYSA-N 0 0 436.403 1.221 50 0 IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1 ZINC000096231709 193938695 /nfs/dbraw/zinc/93/86/95/193938695.db2.gz MREGAIBSUBSRFS-NRFANRHFSA-N 0 0 435.528 1.669 50 0 IDAARN COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCn2cnc3ccccc32)C1=O ZINC000096223698 193936741 /nfs/dbraw/zinc/93/67/41/193936741.db2.gz PFYMZAKZRUBJJH-SFHVURJKSA-N 0 0 435.484 1.714 50 0 IDAARN Cn1c2nc(N3CCN(c4ccc(F)cc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000000759415 132230157 /nfs/dbraw/zinc/23/01/57/132230157.db2.gz SHJDEZVDFBJUNM-UHFFFAOYSA-N 0 0 434.475 1.937 50 0 IDAARN COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c(OC)c1 ZINC000000886918 132232575 /nfs/dbraw/zinc/23/25/75/132232575.db2.gz UIXZHYDJJHBIEK-UHFFFAOYSA-N 0 0 433.530 1.819 50 0 IDAARN COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2c(F)cccc2F)CC1 ZINC000009570149 132235661 /nfs/dbraw/zinc/23/56/61/132235661.db2.gz RMABVTSDIRVAHG-UHFFFAOYSA-N 0 0 439.484 1.855 50 0 IDAARN CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000009849384 132241856 /nfs/dbraw/zinc/24/18/56/132241856.db2.gz IZKKYZMIFCMEKK-UHFFFAOYSA-N 0 0 427.440 1.342 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000002617289 132255300 /nfs/dbraw/zinc/25/53/00/132255300.db2.gz FZBDPNNTWILNBA-UHFFFAOYSA-N 0 0 431.470 1.144 50 0 IDAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCN(c2ccccc2)CC1 ZINC000002649635 132255932 /nfs/dbraw/zinc/25/59/32/132255932.db2.gz PLGJZEITTFPHTR-UHFFFAOYSA-N 0 0 433.505 1.809 50 0 IDAARN CCn1c(=O)c(C(=O)CN2CC(=O)Nc3ccccc32)c(N)n(Cc2ccccc2)c1=O ZINC000003357615 132264479 /nfs/dbraw/zinc/26/44/79/132264479.db2.gz KJJKGXWNPCODBF-UHFFFAOYSA-N 0 0 433.468 1.302 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 ZINC000003416440 132264990 /nfs/dbraw/zinc/26/49/90/132264990.db2.gz KOVJTCLWSVKXMK-UHFFFAOYSA-N 0 0 445.497 1.858 50 0 IDAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)CSc3ncnc4[nH]cnc43)cc2)CC1 ZINC000008715633 132291561 /nfs/dbraw/zinc/29/15/61/132291561.db2.gz DPFCOLTUWXMYRE-UHFFFAOYSA-N 0 0 447.546 1.165 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=N2)cc1 ZINC000008758140 132293105 /nfs/dbraw/zinc/29/31/05/132293105.db2.gz PSWZIPVVEBMRAL-HXUWFJFHSA-N 0 0 449.511 1.869 50 0 IDAARN COc1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CCN(c4ccccc4F)CC3)=[NH+]2)cc1 ZINC000008777034 132294071 /nfs/dbraw/zinc/29/40/71/132294071.db2.gz RQMDTVYYSGUAPE-GOSISDBHSA-N 0 0 425.464 1.840 50 0 IDAARN CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c2ccccc2O1 ZINC000008861001 132296627 /nfs/dbraw/zinc/29/66/27/132296627.db2.gz YQLFBLVRFUKTEE-KRWDZBQOSA-N 0 0 449.554 1.615 50 0 IDAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000009116808 132303983 /nfs/dbraw/zinc/30/39/83/132303983.db2.gz NAONFEYWUWHKCD-RDJZCZTQSA-N 0 0 435.546 1.891 50 0 IDAARN CN(Cc1ccccc1)C(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2OCC1=O ZINC000009116779 132304009 /nfs/dbraw/zinc/30/40/09/132304009.db2.gz DGWFLAHDVCWQDJ-UHFFFAOYSA-N 0 0 443.525 1.855 50 0 IDAARN Cc1csc2nc(CN3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)cc(=O)n12 ZINC000009207394 132308485 /nfs/dbraw/zinc/30/84/85/132308485.db2.gz SJGRYUGTPYQDRS-SFHVURJKSA-N 0 0 426.498 1.691 50 0 IDAARN O=C(c1ccc2c(c1)NC(=O)CS2)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009217583 132309346 /nfs/dbraw/zinc/30/93/46/132309346.db2.gz LNNBYPPLHGDKFR-GOSISDBHSA-N 0 0 439.493 1.997 50 0 IDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000009377040 132314670 /nfs/dbraw/zinc/31/46/70/132314670.db2.gz KUZRTKIWNISVGT-UHFFFAOYSA-N 0 0 438.517 1.298 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)cc1 ZINC000009503169 132319568 /nfs/dbraw/zinc/31/95/68/132319568.db2.gz YNQMNYHMYHUGGN-UHFFFAOYSA-N 0 0 433.486 1.700 50 0 IDAARN CCn1cc(C(=O)NN2CCCCC2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000009506933 132319686 /nfs/dbraw/zinc/31/96/86/132319686.db2.gz HSZGMYKMTIGIIF-UHFFFAOYSA-N 0 0 443.523 1.960 50 0 IDAARN Cc1ccc2c(c1)CCCN2CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009508659 132319828 /nfs/dbraw/zinc/31/98/28/132319828.db2.gz MWUHACCZSFHDLB-UHFFFAOYSA-N 0 0 433.512 1.891 50 0 IDAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000009533046 132321121 /nfs/dbraw/zinc/32/11/21/132321121.db2.gz RTPLLNQKVUCHJI-UHFFFAOYSA-N 0 0 438.517 1.298 50 0 IDAARN Cc1nc2c(c(C)c1CCC(=O)NCCN1CCCc3ccccc31)c(=O)n(C)c(=O)n2C ZINC000009610428 132323309 /nfs/dbraw/zinc/32/33/09/132323309.db2.gz IZSKRNOQDAAUOC-UHFFFAOYSA-N 0 0 449.555 1.751 50 0 IDAARN COc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000009671800 132325072 /nfs/dbraw/zinc/32/50/72/132325072.db2.gz DOHMFOYSGSNGGI-UHFFFAOYSA-N 0 0 439.484 1.991 50 0 IDAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NCCc1c[nH]c2ccccc12 ZINC000009672689 132325213 /nfs/dbraw/zinc/32/52/13/132325213.db2.gz PREAZJNQAQYTBX-HSZRJFAPSA-N 0 0 448.523 1.953 50 0 IDAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c1C ZINC000009675788 132325416 /nfs/dbraw/zinc/32/54/16/132325416.db2.gz RZDOJCSPDCKYPH-UHFFFAOYSA-N 0 0 442.541 1.365 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCCC4)c3)CC2)cc1 ZINC000009686200 132325868 /nfs/dbraw/zinc/32/58/68/132325868.db2.gz JTOQDZIIUOFSHI-UHFFFAOYSA-N 0 0 445.545 1.219 50 0 IDAARN O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1)N1CCCC1 ZINC000009711819 132326965 /nfs/dbraw/zinc/32/69/65/132326965.db2.gz GTWBSIVWGUAMHD-UHFFFAOYSA-N 0 0 430.530 1.917 50 0 IDAARN C[C@H]1Cn2c3c(nc2N(c2ccc(Br)cc2)C1)n(C)c(=O)n(CCCO)c3=O ZINC000009713468 132327151 /nfs/dbraw/zinc/32/71/51/132327151.db2.gz ODTMKIXOYXVXHW-GFCCVEGCSA-N 0 0 448.321 1.829 50 0 IDAARN Cn1nc(CC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c2ccccc2c1=O ZINC000009739038 132328078 /nfs/dbraw/zinc/32/80/78/132328078.db2.gz RMSAUVFCMXWNNU-OAQYLSRUSA-N 0 0 448.479 1.129 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009779743 132328798 /nfs/dbraw/zinc/32/87/98/132328798.db2.gz ZNLWXAPMWJGHJY-FQEVSTJZSA-N 0 0 434.452 1.050 50 0 IDAARN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)NC(N)=O ZINC000010401748 132335765 /nfs/dbraw/zinc/33/57/65/132335765.db2.gz BHVFCYHWDHXDMK-CYBMUJFWSA-N 0 0 431.470 1.568 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O ZINC000010803056 132336497 /nfs/dbraw/zinc/33/64/97/132336497.db2.gz STCIDULBCFWLEJ-NRFANRHFSA-N 0 0 442.497 1.511 50 0 IDAARN COc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc(N2CCOCC2)nc1)C(C)C ZINC000011153005 132337469 /nfs/dbraw/zinc/33/74/69/132337469.db2.gz RWSQGDGRJPCGPB-NRFANRHFSA-N 0 0 426.517 1.998 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2ncn3nc(-c4ccccc4)cc3c2=O)CC1 ZINC000011666359 132338400 /nfs/dbraw/zinc/33/84/00/132338400.db2.gz IDEAOKYXQFPZRE-UHFFFAOYSA-N 0 0 444.495 1.915 50 0 IDAARN Cc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)nn12 ZINC000011696279 132338863 /nfs/dbraw/zinc/33/88/63/132338863.db2.gz VCNXVQRUGCNLSD-UHFFFAOYSA-N 0 0 442.423 1.842 50 0 IDAARN Cc1nnc2ccc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)nn12 ZINC000011696275 132338900 /nfs/dbraw/zinc/33/89/00/132338900.db2.gz YOTDIUCNYYBRSM-UHFFFAOYSA-N 0 0 426.424 1.962 50 0 IDAARN COc1ccc(CC(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000011796088 132340153 /nfs/dbraw/zinc/34/01/53/132340153.db2.gz NMXURHHMFADIOS-UHFFFAOYSA-N 0 0 431.558 1.896 50 0 IDAARN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)C1=O ZINC000011859329 132340581 /nfs/dbraw/zinc/34/05/81/132340581.db2.gz XUJNSFBYGDTHEB-INIZCTEOSA-N 0 0 449.554 1.510 50 0 IDAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013031929 132342676 /nfs/dbraw/zinc/34/26/76/132342676.db2.gz RVLSUHNBUAAXKA-UHFFFAOYSA-N 0 0 442.541 1.757 50 0 IDAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000013128682 132345508 /nfs/dbraw/zinc/34/55/08/132345508.db2.gz QEBIXVNORCAZEO-DEOSSOPVSA-N 0 0 444.495 1.746 50 0 IDAARN Cn1c2cc(NC(=O)c3ccc4c(c3)OCO4)c(N3CCOCC3)cc2n(C)c(=O)c1=O ZINC000013364566 132346561 /nfs/dbraw/zinc/34/65/61/132346561.db2.gz CZSYSICYWJPTFX-UHFFFAOYSA-N 0 0 438.440 1.055 50 0 IDAARN O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(c2ccccc2F)CC1 ZINC000013371301 132346683 /nfs/dbraw/zinc/34/66/83/132346683.db2.gz TYDWMYGJZGRWKC-PMACEKPBSA-N 0 0 438.546 1.587 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3nc(Cl)nc4nc[nH]c43)C2)CC1 ZINC000013551023 132349664 /nfs/dbraw/zinc/34/96/64/132349664.db2.gz CZYMNBVSLJJWLK-LBPRGKRZSA-N 0 0 435.916 1.960 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000013686496 132353511 /nfs/dbraw/zinc/35/35/11/132353511.db2.gz YZNYLKDMHWEYPW-UHFFFAOYSA-N 0 0 445.545 1.235 50 0 IDAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4c[nH]cn4)C3)C[C@@H]2C)c1 ZINC000013777160 132354512 /nfs/dbraw/zinc/35/45/12/132354512.db2.gz MJYYBWMDSKMRBJ-ROUUACIJSA-N 0 0 431.562 1.856 50 0 IDAARN CC(=O)c1cc2c(cc1NC(=O)CN1CCN([C@H](C(N)=O)c3ccccc3)CC1)OCO2 ZINC000022911888 518292785 /nfs/dbraw/zinc/29/27/85/518292785.db2.gz PDJQOJIRYHJICT-QFIPXVFZSA-N 0 0 438.484 1.401 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)CN3c4ccccc4C(=O)N(C)CC3=O)CC2)cc1 ZINC000033086285 518346802 /nfs/dbraw/zinc/34/68/02/518346802.db2.gz QZBNJTFLLWVHNV-UHFFFAOYSA-N 0 0 434.496 1.657 50 0 IDAARN CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 ZINC000012554366 518350570 /nfs/dbraw/zinc/35/05/70/518350570.db2.gz DSRKOOVXMUXAGD-AWEZNQCLSA-N 0 0 448.520 1.825 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(CCC(=O)NC(=O)NC(C)(C)C)CC2)c1 ZINC000012773661 518461096 /nfs/dbraw/zinc/46/10/96/518461096.db2.gz KHIXQWXWWNDKRH-UHFFFAOYSA-N 0 0 438.550 1.210 50 0 IDAARN CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000021511064 518559573 /nfs/dbraw/zinc/55/95/73/518559573.db2.gz CPLWLXJNXMKEEE-UHFFFAOYSA-N 0 0 425.507 1.100 50 0 IDAARN CC(C)(C)NC(=O)CN1CCCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000022805538 518726070 /nfs/dbraw/zinc/72/60/70/518726070.db2.gz HDOGHXRQMYDMFC-UHFFFAOYSA-N 0 0 445.608 1.380 50 0 IDAARN CC(C)(C)c1cc(NC(=O)Cn2ncc3ccccc3c2=O)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000023053962 519003335 /nfs/dbraw/zinc/00/33/35/519003335.db2.gz TZZBSZFBMPNUBK-HNNXBMFYSA-N 0 0 443.529 1.889 50 0 IDAARN CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CCC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000020600464 519366567 /nfs/dbraw/zinc/36/65/67/519366567.db2.gz ASGWNUGKGRMHBG-NRFANRHFSA-N 0 0 441.572 1.707 50 0 IDAARN CC(=O)N1C[C@H](C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)Oc2ccccc21 ZINC000012845811 519635528 /nfs/dbraw/zinc/63/55/28/519635528.db2.gz HSLYKJKGCRNNAZ-OAQYLSRUSA-N 0 0 440.475 1.723 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCc1cccnc1 ZINC000021022016 519638969 /nfs/dbraw/zinc/63/89/69/519638969.db2.gz WPKDYIZEYHZULC-FQEVSTJZSA-N 0 0 428.514 1.460 50 0 IDAARN CC(=O)NCCc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000021165504 519669058 /nfs/dbraw/zinc/66/90/58/519669058.db2.gz DVJKJIRNIZTVEL-UHFFFAOYSA-N 0 0 432.498 1.655 50 0 IDAARN CC(C)N1C[C@H](OCc2ccc(F)cc2)CN(C(=O)c2nc3ncccn3n2)CC1=O ZINC000014537688 519697815 /nfs/dbraw/zinc/69/78/15/519697815.db2.gz OSKMKSBNAKLLOX-QGZVFWFLSA-N 0 0 426.452 1.542 50 0 IDAARN CC(C)CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020533290 519700349 /nfs/dbraw/zinc/70/03/49/519700349.db2.gz AGUUKKXWABRVBZ-UHFFFAOYSA-N 0 0 442.520 1.031 50 0 in-vitro IDAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(C)cc1 ZINC000012406448 519701500 /nfs/dbraw/zinc/70/15/00/519701500.db2.gz QHNUAZWNAPSBQV-XDWAVFMPSA-N 0 0 437.445 1.030 50 0 IDAARN CC(C)NC(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000012390598 519703429 /nfs/dbraw/zinc/70/34/29/519703429.db2.gz TXFVKBFEVHSLJL-CYBMUJFWSA-N 0 0 439.563 1.123 50 0 IDAARN CC(C)CN(CC(=O)N1CCC(c2ccccc2)=N1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000023358292 519709638 /nfs/dbraw/zinc/70/96/38/519709638.db2.gz CBJSZQALLRCOFK-UHFFFAOYSA-N 0 0 440.548 1.874 50 0 IDAARN CC(=O)Nc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021869868 519721039 /nfs/dbraw/zinc/72/10/39/519721039.db2.gz UWKXIUVOQVGAJX-FQEVSTJZSA-N 0 0 436.534 1.071 50 0 IDAARN CC(=O)Nc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021869871 519721339 /nfs/dbraw/zinc/72/13/39/519721339.db2.gz UWKXIUVOQVGAJX-HXUWFJFHSA-N 0 0 436.534 1.071 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000035452123 519722370 /nfs/dbraw/zinc/72/23/70/519722370.db2.gz HJBWFQDMHZIHIJ-UHFFFAOYSA-N 0 0 446.485 1.544 50 0 IDAARN CC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000012232343 519741716 /nfs/dbraw/zinc/74/17/16/519741716.db2.gz IGUWRAGADXQWGL-LLVKDONJSA-N 0 0 442.303 1.990 50 0 IDAARN CC(C)OCCCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(C)C2=O ZINC000021876199 519764164 /nfs/dbraw/zinc/76/41/64/519764164.db2.gz IZFUOUINQQQVRQ-QHCPKHFHSA-N 0 0 441.532 1.589 50 0 IDAARN CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)CC(=O)NCc1ccco1 ZINC000032988608 519799271 /nfs/dbraw/zinc/79/92/71/519799271.db2.gz ALLLJUDSZSOHTK-VSFZPWCASA-N 0 0 433.530 1.969 50 0 IDAARN CC(C)c1nc(SCC(=O)NCc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000020604924 519866084 /nfs/dbraw/zinc/86/60/84/519866084.db2.gz IPEVNROBSFYGIZ-UHFFFAOYSA-N 0 0 431.493 1.698 50 0 IDAARN CCCn1nnc2cc(C(=O)N[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc21 ZINC000035510851 519896404 /nfs/dbraw/zinc/89/64/04/519896404.db2.gz LHYZVEOYTFHSOI-LBPRGKRZSA-N 0 0 430.490 1.246 50 0 IDAARN CCNC(=O)c1ccccc1-n1nnnc1[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000035178512 519900490 /nfs/dbraw/zinc/90/04/90/519900490.db2.gz JKIALLVSSFYCRZ-GOSISDBHSA-N 0 0 436.472 1.727 50 0 biogenic IDAARN CCNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccc4c(c3)OCCO4)nn2)cn1 ZINC000033310093 519901161 /nfs/dbraw/zinc/90/11/61/519901161.db2.gz FUUJITIIPOVZOV-UHFFFAOYSA-N 0 0 440.485 1.914 50 0 IDAARN CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000012660321 520099711 /nfs/dbraw/zinc/09/97/11/520099711.db2.gz RZSSLCQNNAGTQY-LASHMREHSA-N 0 0 431.482 1.239 50 0 biogenic IDAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000022134282 520317950 /nfs/dbraw/zinc/31/79/50/520317950.db2.gz NDQBSGMNFOGAKI-UHFFFAOYSA-N 0 0 438.531 1.664 50 0 IDAARN CCCCCn1nc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc2c1=O ZINC000035310636 520334924 /nfs/dbraw/zinc/33/49/24/520334924.db2.gz SLGXUNYQCCQQHZ-UHFFFAOYSA-N 0 0 425.533 1.623 50 0 IDAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000012889552 520336492 /nfs/dbraw/zinc/33/64/92/520336492.db2.gz HTRPUWAXPCIYLA-UHFFFAOYSA-N 0 0 429.970 1.866 50 0 IDAARN CCCCN(C(=O)COC(=O)c1ccc(Cn2cncn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000022613616 520341392 /nfs/dbraw/zinc/34/13/92/520341392.db2.gz PIBBMWYGJBVJHF-GOSISDBHSA-N 0 0 434.518 1.299 50 0 IDAARN CCOC(=O)C1=C(C)N(CC(=O)NC[C@H]2CCCO2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350209 520475834 /nfs/dbraw/zinc/47/58/34/520475834.db2.gz ZICZXYJFEMWJJJ-YLJYHZDGSA-N 0 0 425.489 1.820 50 0 IDAARN CCOC(=O)C1=C(CN2CCOCC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991050 520517222 /nfs/dbraw/zinc/51/72/22/520517222.db2.gz XDYKNTVOFDKWAI-FQEVSTJZSA-N 0 0 433.505 1.939 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@H]1CC ZINC000012791615 520522132 /nfs/dbraw/zinc/52/21/32/520522132.db2.gz UCQNWHALPPNRRQ-KGLIPLIRSA-N 0 0 445.472 1.500 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)cn3)C2)CC1 ZINC000035428662 520566286 /nfs/dbraw/zinc/56/62/86/520566286.db2.gz ADLMYOPLQANAKL-MRXNPFEDSA-N 0 0 426.539 1.105 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)cn3)C2)CC1 ZINC000035428660 520569333 /nfs/dbraw/zinc/56/93/33/520569333.db2.gz ADLMYOPLQANAKL-INIZCTEOSA-N 0 0 426.539 1.105 50 0 IDAARN CCOc1c(Br)cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000020851375 520593558 /nfs/dbraw/zinc/59/35/58/520593558.db2.gz NQHFAXXTKCKKRE-JTQLQIEISA-N 0 0 438.278 1.728 50 0 IDAARN CCCCNS(=O)(=O)c1cccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 ZINC000012905243 520695102 /nfs/dbraw/zinc/69/51/02/520695102.db2.gz IIXSNLDYRVTXJT-UHFFFAOYSA-N 0 0 430.486 1.407 50 0 IDAARN CC1=C(C(=O)NCCCN(C)c2ccccc2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887603 520796696 /nfs/dbraw/zinc/79/66/96/520796696.db2.gz NUVKDTGLUHSEOY-UHFFFAOYSA-N 0 0 435.546 1.297 50 0 biogenic IDAARN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 ZINC000012848496 520805272 /nfs/dbraw/zinc/80/52/72/520805272.db2.gz BDGNOUMTDAZBIW-UHFFFAOYSA-N 0 0 446.485 1.065 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCc1cccnc1)N2C(C)=O ZINC000015775929 520811330 /nfs/dbraw/zinc/81/13/30/520811330.db2.gz HIJCXKMMXHPZIV-FQEVSTJZSA-N 0 0 430.530 1.706 50 0 IDAARN CCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC[C@H]2CCCO2)cc1 ZINC000012137107 520903080 /nfs/dbraw/zinc/90/30/80/520903080.db2.gz BDBNHRYTTBNGFS-SJORKVTESA-N 0 0 449.529 1.013 50 0 IDAARN CCOC(=O)Cn1ncc(N2CCN(C(=O)OCc3ccccc3)CC2)c(Cl)c1=O ZINC000012336659 520921181 /nfs/dbraw/zinc/92/11/81/520921181.db2.gz ZZGGBXQOENHJLN-UHFFFAOYSA-N 0 0 434.880 1.919 50 0 IDAARN CCOC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000012799679 520923325 /nfs/dbraw/zinc/92/33/25/520923325.db2.gz PIYIHHQWDDMNTK-UHFFFAOYSA-N 0 0 427.498 1.527 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)CC1 ZINC000023805445 520925306 /nfs/dbraw/zinc/92/53/06/520925306.db2.gz ACFZSTGOMNXNAN-QFIPXVFZSA-N 0 0 442.472 1.937 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)CC1 ZINC000015843129 520929240 /nfs/dbraw/zinc/92/92/40/520929240.db2.gz CLPICNWGVHNGRD-UHFFFAOYSA-N 0 0 437.518 1.740 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000020574628 520943836 /nfs/dbraw/zinc/94/38/36/520943836.db2.gz DIBLZNQKQHFPMT-UHFFFAOYSA-N 0 0 443.435 1.881 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)CC1 ZINC000035378104 520957504 /nfs/dbraw/zinc/95/75/04/520957504.db2.gz QVQBQOSOQNXYLD-UHFFFAOYSA-N 0 0 426.882 1.553 50 0 IDAARN CCOC(=O)N1CCN([C@H](c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697871 520959282 /nfs/dbraw/zinc/95/92/82/520959282.db2.gz BGPCJFSRSDSQRM-HXUWFJFHSA-N 0 0 430.505 1.767 50 0 IDAARN CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1OC ZINC000020557978 520995969 /nfs/dbraw/zinc/99/59/69/520995969.db2.gz CBDIVRSSLRVQOW-UHFFFAOYSA-N 0 0 437.518 1.383 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCOCC2)CC1 ZINC000035399067 521031911 /nfs/dbraw/zinc/03/19/11/521031911.db2.gz AVROEPOAQBAESP-UHFFFAOYSA-N 0 0 449.573 1.635 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000035560392 521032384 /nfs/dbraw/zinc/03/23/84/521032384.db2.gz KWIFKUKUSSCHSM-SFHVURJKSA-N 0 0 449.573 1.682 50 0 IDAARN CCOc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528774 521033501 /nfs/dbraw/zinc/03/35/01/521033501.db2.gz VSUUXIFALAHFIX-QFIPXVFZSA-N 0 0 445.541 1.769 50 0 IDAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1c2ccccc2nc1-c1nonc1N ZINC000012412336 521069384 /nfs/dbraw/zinc/06/93/84/521069384.db2.gz BNIRIRYPMKEQII-MRXNPFEDSA-N 0 0 434.456 1.959 50 0 IDAARN CCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)cc1S(=O)(=O)N(C)C ZINC000012523310 521126024 /nfs/dbraw/zinc/12/60/24/521126024.db2.gz LEDVRIQHHSAQOT-UHFFFAOYSA-N 0 0 434.518 1.746 50 0 IDAARN CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000012590761 521267218 /nfs/dbraw/zinc/26/72/18/521267218.db2.gz NRJGVUBYZNQKOP-HXUWFJFHSA-N 0 0 439.578 1.977 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)C1 ZINC000020574317 521290648 /nfs/dbraw/zinc/29/06/48/521290648.db2.gz CUIRMCNGKOWKFM-AWEZNQCLSA-N 0 0 428.420 1.992 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1 ZINC000012538219 521293965 /nfs/dbraw/zinc/29/39/65/521293965.db2.gz RLDXDUBNUMJNCA-INIZCTEOSA-N 0 0 437.562 1.952 50 0 IDAARN CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000035580968 521305339 /nfs/dbraw/zinc/30/53/39/521305339.db2.gz UDRIHXBXCAHQGU-ZFWWWQNUSA-N 0 0 439.472 1.614 50 0 IDAARN CCCc1cc(=O)[nH]c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)n1 ZINC000016681257 521343332 /nfs/dbraw/zinc/34/33/32/521343332.db2.gz SYIRCGOFKSVJFT-UHFFFAOYSA-N 0 0 441.513 1.188 50 0 IDAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCCc3ccc(OC)cc3OC)sc2n1 ZINC000020866047 521346702 /nfs/dbraw/zinc/34/67/02/521346702.db2.gz HMBMTDHJTWZZST-UHFFFAOYSA-N 0 0 445.545 1.916 50 0 IDAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(CC(=O)NCCN3CCOCC3)CC2)c1C ZINC000021153878 521363613 /nfs/dbraw/zinc/36/36/13/521363613.db2.gz XXYDKUCOCZFRAV-UHFFFAOYSA-N 0 0 448.564 1.499 50 0 IDAARN CCCCn1c(N)c(N(C(=O)COc2ccccc2C(N)=O)C2CCCC2)c(=O)[nH]c1=O ZINC000018266064 521364517 /nfs/dbraw/zinc/36/45/17/521364517.db2.gz AWRHSAVGGXLLRD-UHFFFAOYSA-N 0 0 443.504 1.372 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000020582304 521381527 /nfs/dbraw/zinc/38/15/27/521381527.db2.gz AMJIPBPGGXSAHR-INIZCTEOSA-N 0 0 441.550 1.504 50 0 IDAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCN(CC(=O)Nc4ccccc4)CC3)C2=O)c1 ZINC000022782612 521382126 /nfs/dbraw/zinc/38/21/26/521382126.db2.gz AGCFZWHIQVSMRC-OAQYLSRUSA-N 0 0 436.512 1.974 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000012567707 521421680 /nfs/dbraw/zinc/42/16/80/521421680.db2.gz WYFSODKJUSWNMB-YJYMSZOUSA-N 0 0 439.559 1.257 50 0 IDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(Cl)cc1)c(=O)n2C ZINC000021723177 521431279 /nfs/dbraw/zinc/43/12/79/521431279.db2.gz HRUTVWHCKLOYPD-UHFFFAOYSA-N 0 0 430.848 1.872 50 0 IDAARN CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1cccc(F)c1)c(=O)n2C ZINC000012410758 521433592 /nfs/dbraw/zinc/43/35/92/521433592.db2.gz SWQIYIPIGFEZIG-UHFFFAOYSA-N 0 0 440.431 1.927 50 0 IDAARN CCOC(=O)c1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc(C(=O)OCC)c1 ZINC000036726633 521440718 /nfs/dbraw/zinc/44/07/18/521440718.db2.gz PNERGIXMAPIGPB-ZDUSSCGKSA-N 0 0 426.491 1.650 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C)cc2)cn1C ZINC000035376137 521447971 /nfs/dbraw/zinc/44/79/71/521447971.db2.gz DGTADINTMZPTJE-SFHVURJKSA-N 0 0 433.530 1.980 50 0 IDAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCOC)N(c1cc(C)cc(C)c1)C2=O ZINC000021879449 521454227 /nfs/dbraw/zinc/45/42/27/521454227.db2.gz WIYVFBRFAOYBSM-QFIPXVFZSA-N 0 0 428.489 1.858 50 0 IDAARN CCN1C(=O)C[C@@](CC(=O)N2CCNC(=O)CC2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000011881025 521523444 /nfs/dbraw/zinc/52/34/44/521523444.db2.gz SKBOBTTVRSTVGC-IBGZPJMESA-N 0 0 425.407 1.461 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1 ZINC000015940588 521551124 /nfs/dbraw/zinc/55/11/24/521551124.db2.gz BZYVBFKTWPCQDS-UHFFFAOYSA-N 0 0 434.470 1.714 50 0 IDAARN CCOC(=O)c1noc2ncn(CC(=O)N3CCN(c4cc(C)ccc4C)CC3)c(=O)c12 ZINC000021648403 521607455 /nfs/dbraw/zinc/60/74/55/521607455.db2.gz ZTRZKRUDULDTKF-UHFFFAOYSA-N 0 0 439.472 1.527 50 0 IDAARN CCCn1c2ccc(NS(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)cc2oc1=O ZINC000021932411 521637160 /nfs/dbraw/zinc/63/71/60/521637160.db2.gz NSZRZSOQPJFGAW-UHFFFAOYSA-N 0 0 444.469 1.356 50 0 IDAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@](C)(C(=O)NCc2ccccc2)C1 ZINC000021528692 521659734 /nfs/dbraw/zinc/65/97/34/521659734.db2.gz YRPGKKBWPCJASU-NRFANRHFSA-N 0 0 433.505 1.899 50 0 IDAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(F)c2)[C@@](C)(C(=O)NCc2ccccc2)C1 ZINC000021528691 521659758 /nfs/dbraw/zinc/65/97/58/521659758.db2.gz YRPGKKBWPCJASU-OAQYLSRUSA-N 0 0 433.505 1.899 50 0 IDAARN 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COc1ccc(Cn2nnnc2SCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000012798161 524267907 /nfs/dbraw/zinc/26/79/07/524267907.db2.gz WQCDFHDDBCKVDO-KRWDZBQOSA-N 0 0 441.469 1.305 50 0 IDAARN Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012875063 524321540 /nfs/dbraw/zinc/32/15/40/524321540.db2.gz HIANQMRXMBJCIV-GCJKJVERSA-N 0 0 436.472 1.486 50 0 IDAARN COc1ccccc1C(=O)NCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000012790134 524347547 /nfs/dbraw/zinc/34/75/47/524347547.db2.gz YEJFGVMGKYZLIX-UHFFFAOYSA-N 0 0 438.528 1.825 50 0 IDAARN COc1ccccc1C1=NO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000020601983 524374087 /nfs/dbraw/zinc/37/40/87/524374087.db2.gz WDHUPHLBIIXXGQ-HXUWFJFHSA-N 0 0 429.498 1.721 50 0 IDAARN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000012200927 524384898 /nfs/dbraw/zinc/38/48/98/524384898.db2.gz LCGCGGDSJPUKLL-UHFFFAOYSA-N 0 0 447.488 1.999 50 0 IDAARN COc1ccccc1CCNC(=O)CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C ZINC000021919760 524414213 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COc1ccc(NC(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)cc1OC ZINC000035386499 524500048 /nfs/dbraw/zinc/50/00/48/524500048.db2.gz CCJILVCVZKIDRF-KHPPLWFESA-N 0 0 434.470 1.776 50 0 IDAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1S(N)(=O)=O ZINC000012683177 524513437 /nfs/dbraw/zinc/51/34/37/524513437.db2.gz NTKXKSWNOUPIMF-UHFFFAOYSA-N 0 0 434.503 1.264 50 0 IDAARN Cc1ccc(CNC(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012755911 524526355 /nfs/dbraw/zinc/52/63/55/524526355.db2.gz CLCSFHBFIZEBAT-UHFFFAOYSA-N 0 0 430.530 1.327 50 0 IDAARN COc1ccc(NC(=O)Cn2ccn(-c3ccc(OC)c(OC)c3)c(=O)c2=O)c(OC)c1 ZINC000020489027 524530735 /nfs/dbraw/zinc/53/07/35/524530735.db2.gz MYLRRJAUPPFTRU-UHFFFAOYSA-N 0 0 441.440 1.672 50 0 IDAARN COc1ccccc1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000012371764 524535875 /nfs/dbraw/zinc/53/58/75/524535875.db2.gz IGBYQUQFJOOTPH-SFHVURJKSA-N 0 0 429.498 1.334 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2CCc2ccccc2)cc1 ZINC000021529128 524546625 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/nfs/dbraw/zinc/79/79/77/524797977.db2.gz TVKUUVFZYVNBMY-SFHVURJKSA-N 0 0 425.445 1.994 50 0 biogenic IDAARN COc1ccc(OC)c(/C=C2/SC(=O)N(CCC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c1 ZINC000012321936 524801263 /nfs/dbraw/zinc/80/12/63/524801263.db2.gz KIWVNOHTHHVOLH-ZJSXCKLASA-N 0 0 438.527 1.723 50 0 IDAARN Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)CC2)c(C)c1 ZINC000020557966 524961927 /nfs/dbraw/zinc/96/19/27/524961927.db2.gz XAIFRCVGTGLVHZ-UHFFFAOYSA-N 0 0 446.573 1.625 50 0 IDAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)C(C)C)CC4)n3)CC2)cc1 ZINC000035926745 524964057 /nfs/dbraw/zinc/96/40/57/524964057.db2.gz YIJMOZIXSNTIQZ-UHFFFAOYSA-N 0 0 438.576 1.705 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)NCCOc3cc(N4CCOCC4)ncn3)CC2=O)cc1C ZINC000035598375 524984445 /nfs/dbraw/zinc/98/44/45/524984445.db2.gz VSXCPYYFKYDNCZ-GOSISDBHSA-N 0 0 439.516 1.478 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O[C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000021522889 525029946 /nfs/dbraw/zinc/02/99/46/525029946.db2.gz HRBPMHDJFSGOPA-VQIMIIECSA-N 0 0 432.498 1.866 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C[C@H](C)O1 ZINC000012466866 525030301 /nfs/dbraw/zinc/03/03/01/525030301.db2.gz LUMWJJMBXPLGOI-CALCHBBNSA-N 0 0 425.533 1.676 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4c3c(C)nn4C)CC2)cc1 ZINC000024356458 525035757 /nfs/dbraw/zinc/03/57/57/525035757.db2.gz PGVUDARSMNUNBF-UHFFFAOYSA-N 0 0 443.529 1.740 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3OC)CC2)cc1 ZINC000022732945 525036397 /nfs/dbraw/zinc/03/63/97/525036397.db2.gz BOKNRNOHHCLNIC-UHFFFAOYSA-N 0 0 433.530 1.440 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(C)cc3)CC2)cc1C ZINC000021149823 525036811 /nfs/dbraw/zinc/03/68/11/525036811.db2.gz GYFOLLFBCTYHOF-UHFFFAOYSA-N 0 0 442.545 1.794 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCNC(=O)c1ccccc1 ZINC000012881355 525041285 /nfs/dbraw/zinc/04/12/85/525041285.db2.gz MZRBHSJXFBCPRT-UHFFFAOYSA-N 0 0 447.513 1.475 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)cc1 ZINC000021654761 525044504 /nfs/dbraw/zinc/04/45/04/525044504.db2.gz UUJQZOCRLCNLKZ-UHFFFAOYSA-N 0 0 431.499 1.941 50 0 IDAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCc1ccc(F)cc1 ZINC000011904724 525050162 /nfs/dbraw/zinc/05/01/62/525050162.db2.gz NLRUYLPJQHYJRM-UHFFFAOYSA-N 0 0 426.491 1.988 50 0 IDAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000012410045 525056607 /nfs/dbraw/zinc/05/66/07/525056607.db2.gz KFUYGPMQDZXCHJ-MRXNPFEDSA-N 0 0 443.529 1.813 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)NC4CCCCC4)CC3)cc2NC1=O ZINC000033021665 525063639 /nfs/dbraw/zinc/06/36/39/525063639.db2.gz JAZVOMHYBGABGT-CQSZACIVSA-N 0 0 436.534 1.755 50 0 IDAARN C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 ZINC000012566964 525107363 /nfs/dbraw/zinc/10/73/63/525107363.db2.gz RPWLZPVBEJNNCT-MRXNPFEDSA-N 0 0 449.529 1.625 50 0 IDAARN CS(=O)(=O)CC[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O ZINC000020531438 525132039 /nfs/dbraw/zinc/13/20/39/525132039.db2.gz RHCSTVMQDHONJR-QGZVFWFLSA-N 0 0 430.482 1.491 50 0 IDAARN CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O ZINC000012556302 525133303 /nfs/dbraw/zinc/13/33/03/525133303.db2.gz KAFUEPKWLBRKLE-KRWDZBQOSA-N 0 0 436.534 1.361 50 0 IDAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000001059447 525148733 /nfs/dbraw/zinc/14/87/33/525148733.db2.gz SLKXYUMGSPGPBI-UHFFFAOYSA-N 0 0 435.477 1.669 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)CN2CCN(Cc3csc4ccccc34)CC2)CC1 ZINC000022799156 525175057 /nfs/dbraw/zinc/17/50/57/525175057.db2.gz UYASZZOFIMJSBZ-UHFFFAOYSA-N 0 0 436.603 1.123 50 0 IDAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 ZINC000020463775 525186245 /nfs/dbraw/zinc/18/62/45/525186245.db2.gz URWCWIVPIQZURH-UHFFFAOYSA-N 0 0 443.525 1.695 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000021146634 525203098 /nfs/dbraw/zinc/20/30/98/525203098.db2.gz CPBMXHBJWPMQLI-VXGBXAGGSA-N 0 0 429.926 1.796 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000012865027 525212264 /nfs/dbraw/zinc/21/22/64/525212264.db2.gz IZSVJILAPNDIHA-HUUCEWRRSA-N 0 0 435.999 1.869 50 0 IDAARN C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O ZINC000023718490 525236407 /nfs/dbraw/zinc/23/64/07/525236407.db2.gz QLLAQDCJRMEMLW-JOCHJYFZSA-N 0 0 446.573 1.550 50 0 IDAARN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN3c4ccccc4OCCC3=O)CC2)C1 ZINC000012915918 525375164 /nfs/dbraw/zinc/37/51/64/525375164.db2.gz JEPAJCOHMYNAQN-KDURUIRLSA-N 0 0 442.560 1.451 50 0 IDAARN Cc1ccc(OCC(=O)N2CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000020891190 525381353 /nfs/dbraw/zinc/38/13/53/525381353.db2.gz UVIXGVXEDYUQEY-UHFFFAOYSA-N 0 0 425.485 1.677 50 0 IDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000020687755 525386430 /nfs/dbraw/zinc/38/64/30/525386430.db2.gz BMWGTLBVDFGIJA-SOLBZPMBSA-N 0 0 437.562 1.966 50 0 IDAARN Cc1nc(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)[nH]c1Cc1ccccc1 ZINC000012547984 525412902 /nfs/dbraw/zinc/41/29/02/525412902.db2.gz YBCROAXOZFGKHZ-SFHVURJKSA-N 0 0 448.614 1.732 50 0 IDAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)NC[C@H]4CCCO4)CC3)c2c1 ZINC000020733781 525493853 /nfs/dbraw/zinc/49/38/53/525493853.db2.gz FKEBPWFUVXXEFG-IIBYNOLFSA-N 0 0 430.505 1.215 50 0 IDAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCNC(=O)c2ccco2)Cc2ccco2)cc1 ZINC000023042464 525505366 /nfs/dbraw/zinc/50/53/66/525505366.db2.gz NWGDZZCEAQCPAM-UHFFFAOYSA-N 0 0 445.497 1.918 50 0 IDAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C(=O)N2CCN(C)CC2)cc1 ZINC000022854765 525509698 /nfs/dbraw/zinc/50/96/98/525509698.db2.gz PQFVBKZTGCNMTM-UHFFFAOYSA-N 0 0 430.530 1.992 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000035431114 525516160 /nfs/dbraw/zinc/51/61/60/525516160.db2.gz SZGPDBZLLCUUHX-QGZVFWFLSA-N 0 0 445.497 1.252 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000012824366 525518943 /nfs/dbraw/zinc/51/89/43/525518943.db2.gz QBGGSWKWHZJKBW-UHFFFAOYSA-N 0 0 448.589 1.756 50 0 IDAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012802576 525527932 /nfs/dbraw/zinc/52/79/32/525527932.db2.gz LBSQQCWKTMAWMY-JLCFBVMHSA-N 0 0 431.456 1.407 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000012140198 525531180 /nfs/dbraw/zinc/53/11/80/525531180.db2.gz OIBNXAHYQZNKOS-FQEVSTJZSA-N 0 0 445.541 1.207 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000021604204 525556787 /nfs/dbraw/zinc/55/67/87/525556787.db2.gz PTECKZRNEFZCFY-ZOBUZTSGSA-N 0 0 426.535 1.274 50 0 IDAARN Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)cc2)n1 ZINC000012463173 525560212 /nfs/dbraw/zinc/56/02/12/525560212.db2.gz MZAGZZSDFLBNAS-UHFFFAOYSA-N 0 0 425.470 1.532 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@H](C)C(=O)N2CCOCC2)C(C)C)cc1C ZINC000012908707 525581056 /nfs/dbraw/zinc/58/10/56/525581056.db2.gz ZHXVOTQWBQYHQA-SJLPKXTDSA-N 0 0 426.535 1.397 50 0 IDAARN Cc1cc2c(c(C)c1)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967484 525590701 /nfs/dbraw/zinc/59/07/01/525590701.db2.gz HBCVETSGEQSJJA-UJAPCULTSA-N 0 0 446.507 1.142 50 0 biogenic IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc2NC1=O ZINC000012384890 525612464 /nfs/dbraw/zinc/61/24/64/525612464.db2.gz RANACVLFOHWPDB-ZDUSSCGKSA-N 0 0 431.470 1.679 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(CCN1CCOCC1)Cc1ccco1)OCC(=O)N2 ZINC000021108539 525613559 /nfs/dbraw/zinc/61/35/59/525613559.db2.gz GJMZXSJQNNSWNT-UHFFFAOYSA-N 0 0 435.502 1.442 50 0 IDAARN COc1ccc2cc(CN(C)C(=O)CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc2c1 ZINC000022824638 525624758 /nfs/dbraw/zinc/62/47/58/525624758.db2.gz BCAHJQKXQCYHGM-OAQYLSRUSA-N 0 0 445.585 1.612 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccncc2)c2ccco2)cc1 ZINC000017043355 525629258 /nfs/dbraw/zinc/62/92/58/525629258.db2.gz ARCPOLJVHYPRJY-LJQANCHMSA-N 0 0 427.482 1.931 50 0 IDAARN C[C@@H]1c2cc(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)ccc2NC1=O ZINC000012879847 525715733 /nfs/dbraw/zinc/71/57/33/525715733.db2.gz WLDQEENCJRLNMB-NEPJUHHUSA-N 0 0 434.543 1.823 50 0 IDAARN C[C@@]1(CSc2ccccc2C(=O)N2CCN(Cc3ccncc3)CC2)NC(=O)NC1=O ZINC000012563770 525855895 /nfs/dbraw/zinc/85/58/95/525855895.db2.gz HTSUETVGFDMHDB-QFIPXVFZSA-N 0 0 439.541 1.730 50 0 IDAARN Cc1ccc(-c2nnn(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)n2)cc1 ZINC000015450252 525867292 /nfs/dbraw/zinc/86/72/92/525867292.db2.gz CPQYYUIBOYSYDZ-UHFFFAOYSA-N 0 0 440.529 1.323 50 0 IDAARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000245267810 525880481 /nfs/dbraw/zinc/88/04/81/525880481.db2.gz MMEJCLBULUBJBT-NUEKZKHPSA-N 0 0 428.441 1.669 50 0 IDAARN C[C@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000012813692 525881911 /nfs/dbraw/zinc/88/19/11/525881911.db2.gz QUHNOSBCKUUOQN-SWLSCSKDSA-N 0 0 430.910 1.037 50 0 IDAARN C[C@@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000012813686 525887750 /nfs/dbraw/zinc/88/77/50/525887750.db2.gz QUHNOSBCKUUOQN-IUODEOHRSA-N 0 0 430.910 1.037 50 0 IDAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 ZINC000032945386 525887952 /nfs/dbraw/zinc/88/79/52/525887952.db2.gz SBXIUXJWCJDXET-CQSZACIVSA-N 0 0 434.470 1.697 50 0 IDAARN C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012535918 525893112 /nfs/dbraw/zinc/89/31/12/525893112.db2.gz RJIHXKFLEKJBHO-LBPRGKRZSA-N 0 0 425.484 1.890 50 0 IDAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000009218617 525902618 /nfs/dbraw/zinc/90/26/18/525902618.db2.gz VDQNPPUIUSARPH-DJJJIMSYSA-N 0 0 439.921 1.285 50 0 IDAARN Cc1ccc(-n2nnnc2CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000023134685 525936426 /nfs/dbraw/zinc/93/64/26/525936426.db2.gz PRWZVDNTRGSYRZ-IBGZPJMESA-N 0 0 445.527 1.668 50 0 IDAARN Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000023134679 525936670 /nfs/dbraw/zinc/93/66/70/525936670.db2.gz TVRCNSNLUYHMDX-UHFFFAOYSA-N 0 0 429.484 1.979 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1CCc1ccccc1 ZINC000020504028 525942332 /nfs/dbraw/zinc/94/23/32/525942332.db2.gz BBPZATNVPJCDQC-UHFFFAOYSA-N 0 0 436.516 1.033 50 0 IDAARN COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000021108664 525971155 /nfs/dbraw/zinc/97/11/55/525971155.db2.gz WMVFENDWWZJAMR-UHFFFAOYSA-N 0 0 433.486 1.271 50 0 IDAARN COc1cccc(CNC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)c1OC ZINC000021808089 526001021 /nfs/dbraw/zinc/00/10/21/526001021.db2.gz PZXQWJTYCSGAMD-CQSZACIVSA-N 0 0 431.518 1.967 50 0 IDAARN Cc1ccc2[nH]c(CNC(=O)Cn3cnc(S(=O)(=O)N4CCC(C)CC4)c3)nc2c1 ZINC000020994626 526100462 /nfs/dbraw/zinc/10/04/62/526100462.db2.gz OLSREUBHSWVKMJ-UHFFFAOYSA-N 0 0 430.534 1.805 50 0 IDAARN Cc1cc(=O)c(C(=O)N2CCC3(CC2)NC(=O)NC3=O)nn1-c1cccc(C(F)(F)F)c1 ZINC000021474553 526126417 /nfs/dbraw/zinc/12/64/17/526126417.db2.gz JQCYLCWMYWPTRR-UHFFFAOYSA-N 0 0 449.389 1.374 50 0 IDAARN COc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021528724 526138945 /nfs/dbraw/zinc/13/89/45/526138945.db2.gz DGSUIACHKXCWDG-NRFANRHFSA-N 0 0 431.514 1.379 50 0 IDAARN COc1cccc(NC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2Br)c1 ZINC000021464721 526176401 /nfs/dbraw/zinc/17/64/01/526176401.db2.gz UWAHXCLCDRXWOV-UHFFFAOYSA-N 0 0 443.275 1.901 50 0 IDAARN Cc1ccc(C(=O)N[C@H](C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000012751200 526208106 /nfs/dbraw/zinc/20/81/06/526208106.db2.gz PKFOFVFWSVYDIE-JQHSSLGASA-N 0 0 438.546 1.327 50 0 IDAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)C(=O)N(CCc2cccs2)C1=O ZINC000013114216 526217255 /nfs/dbraw/zinc/21/72/55/526217255.db2.gz TVSNREYLZCCQDM-CYBMUJFWSA-N 0 0 440.481 1.845 50 0 IDAARN COc1cccc(OC)c1C(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012422818 526217555 /nfs/dbraw/zinc/21/75/55/526217555.db2.gz BHEDLDDAHGNHHU-UHFFFAOYSA-N 0 0 447.557 1.581 50 0 IDAARN Cc1ccc2nc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)n2c1 ZINC000012180788 526246257 /nfs/dbraw/zinc/24/62/57/526246257.db2.gz PCVDKKFFKXFIGI-UHFFFAOYSA-N 0 0 442.497 1.585 50 0 IDAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1 ZINC000035399066 526252951 /nfs/dbraw/zinc/25/29/51/526252951.db2.gz NSFLGQCHGXTPPP-KRWDZBQOSA-N 0 0 449.573 1.778 50 0 IDAARN O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1 ZINC000012164426 526268410 /nfs/dbraw/zinc/26/84/10/526268410.db2.gz GNYNWMPTGNPUAT-UHFFFAOYSA-N 0 0 425.461 1.027 50 0 IDAARN Cc1nn(CCC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021030016 526278152 /nfs/dbraw/zinc/27/81/52/526278152.db2.gz DLBSPXIPRADERG-HNNXBMFYSA-N 0 0 432.546 1.889 50 0 IDAARN Cc1nn(CCC(=O)Nc2ccc(F)cc2F)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029671 526278274 /nfs/dbraw/zinc/27/82/74/526278274.db2.gz LVWKPUJIUYAIBF-UHFFFAOYSA-N 0 0 428.461 1.828 50 0 IDAARN O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 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CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1nnc(-c2ccsc2)n1 ZINC000012937560 536113989 /nfs/dbraw/zinc/11/39/89/536113989.db2.gz LHOWBLQFGKOUFM-UHFFFAOYSA-N 0 0 432.531 1.631 50 0 IDAARN CN1C(=O)N(C)C(=O)C2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C1=O ZINC000002434378 536320763 /nfs/dbraw/zinc/32/07/63/536320763.db2.gz SUNHHZBPRHZEJC-SFHVURJKSA-N 0 0 443.463 1.391 50 0 IDAARN COc1ccc(Cn2nnnc2SCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000013127507 536592965 /nfs/dbraw/zinc/59/29/65/536592965.db2.gz FTQHNGDOIDVRRZ-UHFFFAOYSA-N 0 0 425.518 1.566 50 0 IDAARN COc1ccc(CCNC(=O)[C@H](C)NC(=O)N2CC(=O)Nc3ccccc32)cc1OC ZINC000009302861 536837564 /nfs/dbraw/zinc/83/75/64/536837564.db2.gz RVPDRYBYQMXAJZ-AWEZNQCLSA-N 0 0 426.473 1.919 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000625748 555512389 /nfs/dbraw/zinc/51/23/89/555512389.db2.gz FNJYRRDEWRADDA-MRXNPFEDSA-N 0 0 427.505 1.916 50 0 IDAARN Cn1c2c(ncn2CC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c(=O)n(C)c1=O ZINC000000679446 555536884 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/nfs/dbraw/zinc/45/06/77/556450677.db2.gz DCFQPKCJTJIHBN-VFNWGFHPSA-N 0 0 449.529 1.032 50 0 IDAARN Cc1sc2ncnc(N3CCC(C(=O)OCc4cc(=O)n(C)c(=O)n4C)CC3)c2c1C ZINC000032865428 556450809 /nfs/dbraw/zinc/45/08/09/556450809.db2.gz ZGOAKHBOWDLHJB-UHFFFAOYSA-N 0 0 443.529 1.665 50 0 IDAARN COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(F)cc(F)c2)c1=O ZINC000032865645 556451028 /nfs/dbraw/zinc/45/10/28/556451028.db2.gz KKZCVKALZKZSPE-UHFFFAOYSA-N 0 0 437.447 1.146 50 0 IDAARN COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000032958166 556451986 /nfs/dbraw/zinc/45/19/86/556451986.db2.gz YAIQNFABMOFMOR-UHFFFAOYSA-N 0 0 437.447 1.146 50 0 IDAARN COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(C)c(F)c2)c1=O ZINC000032958185 556452396 /nfs/dbraw/zinc/45/23/96/556452396.db2.gz ZPSWEZNLTPGHSB-UHFFFAOYSA-N 0 0 433.484 1.315 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1 ZINC000013069846 556452886 /nfs/dbraw/zinc/45/28/86/556452886.db2.gz AMMHKADXPFDYPG-UHFFFAOYSA-N 0 0 445.541 1.833 50 0 IDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000013072081 556453845 /nfs/dbraw/zinc/45/38/45/556453845.db2.gz RQHNBRROVFGWBC-UHFFFAOYSA-N 0 0 446.525 1.932 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 ZINC000013074121 556454518 /nfs/dbraw/zinc/45/45/18/556454518.db2.gz CIIJPNCCERKJCP-SFHVURJKSA-N 0 0 437.562 1.103 50 0 IDAARN Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)nc2n1 ZINC000013097381 556457864 /nfs/dbraw/zinc/45/78/64/556457864.db2.gz WCQNZOKNSSCZOD-SECBINFHSA-N 0 0 442.501 1.822 50 0 IDAARN Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)nc2n1 ZINC000013097382 556457887 /nfs/dbraw/zinc/45/78/87/556457887.db2.gz WCQNZOKNSSCZOD-VIFPVBQESA-N 0 0 442.501 1.822 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000028660920 556457989 /nfs/dbraw/zinc/45/79/89/556457989.db2.gz DLRYOAQMPPFVAY-QGZVFWFLSA-N 0 0 439.534 1.495 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CNC(=O)C1CCOCC1 ZINC000072277411 556458510 /nfs/dbraw/zinc/45/85/10/556458510.db2.gz ZGLLONHDWPBALV-UHFFFAOYSA-N 0 0 426.311 1.697 50 0 IDAARN COc1ccc(C(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1S(=O)(=O)N(C)C ZINC000013100045 556459721 /nfs/dbraw/zinc/45/97/21/556459721.db2.gz LKOUBCUIMAJVIK-FQEVSTJZSA-N 0 0 446.485 1.058 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c1C ZINC000013100628 556460108 /nfs/dbraw/zinc/46/01/08/556460108.db2.gz XBSSAZBFTDEIQQ-LBPRGKRZSA-N 0 0 447.469 1.271 50 0 IDAARN COC(=O)[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 ZINC000072278430 556460980 /nfs/dbraw/zinc/46/09/80/556460980.db2.gz BJVLIDIMMPVNTQ-SFHVURJKSA-N 0 0 438.527 1.342 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)N(C)C ZINC000072281270 556463788 /nfs/dbraw/zinc/46/37/88/556463788.db2.gz PISDWBGGTACVOA-RKVPGOIHSA-N 0 0 425.551 1.327 50 0 IDAARN O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC000013114615 556467056 /nfs/dbraw/zinc/46/70/56/556467056.db2.gz OXDXNYOWUGCFFG-SNVBAGLBSA-N 0 0 444.918 1.131 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000013114782 556467317 /nfs/dbraw/zinc/46/73/17/556467317.db2.gz DIZAXOSJRISAMW-QFIPXVFZSA-N 0 0 438.440 1.120 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013116922 556468977 /nfs/dbraw/zinc/46/89/77/556468977.db2.gz ZPVQKSQMEZMOGR-UHFFFAOYSA-N 0 0 426.498 1.980 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@](C)(CC)N2CCOCC2)ccc1OC ZINC000029243447 556470628 /nfs/dbraw/zinc/47/06/28/556470628.db2.gz ZJNYWFACRWUWDL-OAQYLSRUSA-N 0 0 441.594 1.956 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2nnc(-c3ccco3)o2)CC1 ZINC000013117687 556470707 /nfs/dbraw/zinc/47/07/07/556470707.db2.gz YHIZXZFFQNIOAL-UHFFFAOYSA-N 0 0 432.458 1.607 50 0 IDAARN O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000029363305 556473597 /nfs/dbraw/zinc/47/35/97/556473597.db2.gz VBCNOKUBNRNHOX-MOPGFXCFSA-N 0 0 447.557 1.498 50 0 IDAARN Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1NS(C)(=O)=O ZINC000029363279 556473709 /nfs/dbraw/zinc/47/37/09/556473709.db2.gz PDFQINOBYOBKPY-QGZVFWFLSA-N 0 0 436.578 1.525 50 0 IDAARN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000013127961 556476801 /nfs/dbraw/zinc/47/68/01/556476801.db2.gz KQYXZMUAFZESOO-AAEUAGOBSA-N 0 0 439.515 1.573 50 0 IDAARN CC(=O)Nc1ccc(SCC(=O)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000013130303 556479786 /nfs/dbraw/zinc/47/97/86/556479786.db2.gz JYFUNNPOACMDII-UHFFFAOYSA-N 0 0 435.527 1.944 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1nnc2n1CCC2 ZINC000032873616 556480415 /nfs/dbraw/zinc/48/04/15/556480415.db2.gz TUEBFLXONLIVHL-UHFFFAOYSA-N 0 0 433.534 1.728 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O ZINC000013131200 556480419 /nfs/dbraw/zinc/48/04/19/556480419.db2.gz KAWIQVPWQSQDCX-UHFFFAOYSA-N 0 0 429.473 1.353 50 0 IDAARN COc1ccc(OCCN2CCN(C(=O)[C@H]3CCCN(c4cnccn4)C3)CC2)cc1 ZINC000029756696 556481599 /nfs/dbraw/zinc/48/15/99/556481599.db2.gz LAFYCESHAHRLRD-IBGZPJMESA-N 0 0 425.533 1.925 50 0 IDAARN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2O1 ZINC000029767498 556481873 /nfs/dbraw/zinc/48/18/73/556481873.db2.gz ZAPVUNRFJNCLRJ-VLIAUNLRSA-N 0 0 437.452 1.351 50 0 IDAARN COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1S(N)(=O)=O ZINC000013134353 556482403 /nfs/dbraw/zinc/48/24/03/556482403.db2.gz YWWKRUNACZEJEK-UHFFFAOYSA-N 0 0 440.532 1.107 50 0 IDAARN Cc1cccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000013135398 556483344 /nfs/dbraw/zinc/48/33/44/556483344.db2.gz SREWRJAPXZINPO-SFHVURJKSA-N 0 0 448.541 1.512 50 0 IDAARN CCOC(=O)N(C)c1ccc(NC(=O)N2CCN(CC(=O)NCCCOC)CC2)cc1 ZINC000072289434 556485259 /nfs/dbraw/zinc/48/52/59/556485259.db2.gz JQJKWPUEYJPCMR-UHFFFAOYSA-N 0 0 435.525 1.582 50 0 IDAARN O=C(NC[C@H]1CCCO1)C1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000029997719 556488928 /nfs/dbraw/zinc/48/89/28/556488928.db2.gz VAJFJCDOLAVVLP-GOSISDBHSA-N 0 0 429.569 1.584 50 0 IDAARN O=C(CN1CCc2ccc(O)cc2C1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000072291833 556488941 /nfs/dbraw/zinc/48/89/41/556488941.db2.gz CYJDBZZMJIDIPJ-UHFFFAOYSA-N 0 0 431.514 1.410 50 0 IDAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)NC(=O)c2ccccc2)c1 ZINC000013149470 556491028 /nfs/dbraw/zinc/49/10/28/556491028.db2.gz OMVYMEDFTNVPGF-UHFFFAOYSA-N 0 0 425.470 1.871 50 0 IDAARN Cc1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000013149923 556492068 /nfs/dbraw/zinc/49/20/68/556492068.db2.gz XGKVFGGVWCNVOD-UHFFFAOYSA-N 0 0 449.504 1.866 50 0 IDAARN CCOc1ncccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000030308704 556492669 /nfs/dbraw/zinc/49/26/69/556492669.db2.gz QXJBIUKOFVFZNE-AWEZNQCLSA-N 0 0 435.502 1.625 50 0 IDAARN O=C(Cc1cccc2ccccc21)NCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000013163426 556493807 /nfs/dbraw/zinc/49/38/07/556493807.db2.gz CSPHJIDIWYVDPB-UHFFFAOYSA-N 0 0 436.556 1.655 50 0 IDAARN COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000013163796 556494660 /nfs/dbraw/zinc/49/46/60/556494660.db2.gz IIKCPPYDMRWLCS-OAQYLSRUSA-N 0 0 435.444 1.385 50 0 IDAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 ZINC000030519792 556496265 /nfs/dbraw/zinc/49/62/65/556496265.db2.gz WMWNMDJBIAPPCU-UHFFFAOYSA-N 0 0 433.512 1.796 50 0 IDAARN CCn1cc(C(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c(=O)c2ccc(C)nc21 ZINC000013164585 556496816 /nfs/dbraw/zinc/49/68/16/556496816.db2.gz IVRKLSQQCYUUJW-QHCPKHFHSA-N 0 0 449.467 1.845 50 0 IDAARN O=C(COc1ccc(-n2cnnn2)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013164729 556496964 /nfs/dbraw/zinc/49/69/64/556496964.db2.gz VRIVYKFFCQUBNW-UHFFFAOYSA-N 0 0 428.474 1.464 50 0 IDAARN COCCN1C(=O)C[C@@](CC(=O)NCc2ncccc2C)(c2ccccc2OC)C1=O ZINC000015072461 556497068 /nfs/dbraw/zinc/49/70/68/556497068.db2.gz DPVOKWQHLFEBLW-QHCPKHFHSA-N 0 0 425.485 1.748 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1 ZINC000030586435 556498733 /nfs/dbraw/zinc/49/87/33/556498733.db2.gz MIHIHOOPTWIEQW-GJZGRUSLSA-N 0 0 435.468 1.790 50 0 IDAARN O=C(NCc1cc(F)ccc1Br)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000059799048 556501348 /nfs/dbraw/zinc/50/13/48/556501348.db2.gz ZEOBBKPZXBILPT-LBPRGKRZSA-N 0 0 446.298 1.370 50 0 IDAARN Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000030664403 556501342 /nfs/dbraw/zinc/50/13/42/556501342.db2.gz PMCRSZABHXRYRV-IRXDYDNUSA-N 0 0 446.573 1.963 50 0 IDAARN Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 ZINC000030664393 556501443 /nfs/dbraw/zinc/50/14/43/556501443.db2.gz PMCRSZABHXRYRV-IAGOWNOFSA-N 0 0 446.573 1.963 50 0 IDAARN COc1ccc(-c2noc(C(=O)NCCNC(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000015082637 556501619 /nfs/dbraw/zinc/50/16/19/556501619.db2.gz KRUVINJOLBSWRB-UHFFFAOYSA-N 0 0 426.429 1.922 50 0 IDAARN O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1 ZINC000015083253 556501725 /nfs/dbraw/zinc/50/17/25/556501725.db2.gz RMXISYOZQNVISY-UHFFFAOYSA-N 0 0 439.259 1.546 50 0 IDAARN O=C(Cn1ncc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015085583 556502335 /nfs/dbraw/zinc/50/23/35/556502335.db2.gz RUDQGRPGZPKPMX-UHFFFAOYSA-N 0 0 428.470 1.056 50 0 IDAARN Cn1ncc2c1ncnc2N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000030762339 556505471 /nfs/dbraw/zinc/50/54/71/556505471.db2.gz QVMVUEGBHPHPBH-UHFFFAOYSA-N 0 0 443.352 1.698 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000013483359 556508229 /nfs/dbraw/zinc/50/82/29/556508229.db2.gz LVICUFOUHCMXII-MRXNPFEDSA-N 0 0 427.505 1.552 50 0 IDAARN COc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 ZINC000013519142 556512152 /nfs/dbraw/zinc/51/21/52/556512152.db2.gz XIYGEQSMGANKFY-SFHVURJKSA-N 0 0 434.470 1.495 50 0 IDAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000013525720 556512350 /nfs/dbraw/zinc/51/23/50/556512350.db2.gz ZNKLYVMHBYCZDL-UHFFFAOYSA-N 0 0 433.943 1.616 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N1CCN(C)CC1 ZINC000013557307 556517194 /nfs/dbraw/zinc/51/71/94/556517194.db2.gz DYETYILBGCWBFC-UKXGOWJFSA-N 0 0 430.574 1.561 50 0 IDAARN Cn1ncc2c1ncnc2N1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032898871 556517256 /nfs/dbraw/zinc/51/72/56/556517256.db2.gz WULAQUXIYRNKJB-UHFFFAOYSA-N 0 0 436.472 1.446 50 0 IDAARN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000013566409 556519523 /nfs/dbraw/zinc/51/95/23/556519523.db2.gz XFAGUAUOWDTMNM-UHFFFAOYSA-N 0 0 436.486 1.742 50 0 IDAARN COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000013566408 556519599 /nfs/dbraw/zinc/51/95/99/556519599.db2.gz PCYHSOBWILWNCJ-UHFFFAOYSA-N 0 0 436.486 1.742 50 0 IDAARN CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013566662 556519770 /nfs/dbraw/zinc/51/97/70/556519770.db2.gz APXXAKXSABZEEB-UHFFFAOYSA-N 0 0 443.875 1.573 50 0 IDAARN COc1ccccc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000013566832 556520329 /nfs/dbraw/zinc/52/03/29/556520329.db2.gz XTDWEFHOHLCHLK-UHFFFAOYSA-N 0 0 447.557 1.647 50 0 IDAARN O=C(CCNC(=O)c1ccccc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000015324069 556521473 /nfs/dbraw/zinc/52/14/73/556521473.db2.gz BTDAMWQZWVVPOT-LDADJPATSA-N 0 0 427.526 1.951 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CCSc2nc(Cl)nc3[nH]cnc32)cc1 ZINC000013571011 556522222 /nfs/dbraw/zinc/52/22/22/556522222.db2.gz FWYYGZXMPXGYLE-UHFFFAOYSA-N 0 0 440.938 1.495 50 0 IDAARN COc1cccc([C@H](CNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)N(C)C)c1 ZINC000072297088 556522479 /nfs/dbraw/zinc/52/24/79/556522479.db2.gz RKKJEOZYYUDDKO-FQEVSTJZSA-N 0 0 447.557 1.590 50 0 IDAARN COc1cc(CN(C2CC2)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC(F)F ZINC000015358395 556522971 /nfs/dbraw/zinc/52/29/71/556522971.db2.gz LVYVRFWZBNOGGW-UHFFFAOYSA-N 0 0 445.444 1.047 50 0 IDAARN Nc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 ZINC000015379326 556523614 /nfs/dbraw/zinc/52/36/14/556523614.db2.gz ZWXBOVGLMRSCAJ-UHFFFAOYSA-N 0 0 437.547 1.648 50 0 IDAARN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015406939 556524774 /nfs/dbraw/zinc/52/47/74/556524774.db2.gz KHTDJVBQTBMERX-CQSZACIVSA-N 0 0 434.543 1.428 50 0 IDAARN CCNC(=O)c1cccc(CNC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)c1 ZINC000072301528 556525183 /nfs/dbraw/zinc/52/51/83/556525183.db2.gz HLHLBJLPQYCTRZ-FQEVSTJZSA-N 0 0 449.511 1.190 50 0 IDAARN Cc1ccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)NCC(N)=O)c[nH]3)cn2)cc1 ZINC000072301611 556525547 /nfs/dbraw/zinc/52/55/47/556525547.db2.gz SZXYDIJTWNDCHS-UHFFFAOYSA-N 0 0 429.458 1.526 50 0 IDAARN O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nccs1 ZINC000013608623 556533785 /nfs/dbraw/zinc/53/37/85/556533785.db2.gz WRELERUEWRLHEK-UHFFFAOYSA-N 0 0 440.522 1.828 50 0 IDAARN Cn1c2sc3c(c2c(=O)n(CC(=O)NCCc2ccccc2)c1=O)CC(C)(C)OC3 ZINC000013609164 556534070 /nfs/dbraw/zinc/53/40/70/556534070.db2.gz SUNFCXMFPZVDEJ-UHFFFAOYSA-N 0 0 427.526 1.972 50 0 IDAARN 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COc1cc2c(cc1OC)CN(C(=O)c1ccc(N3C(=O)CCS3(=O)=O)cc1)CC2 ZINC000012006099 556680421 /nfs/dbraw/zinc/68/04/21/556680421.db2.gz GYDRRBIAPHMLQK-UHFFFAOYSA-N 0 0 430.482 1.969 50 0 IDAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021250 556685735 /nfs/dbraw/zinc/68/57/35/556685735.db2.gz WVPNZPZDZXORHZ-HNNXBMFYSA-N 0 0 447.488 1.874 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)NCc4ccco4)CC3)cc2NC1=O ZINC000033021759 556686302 /nfs/dbraw/zinc/68/63/02/556686302.db2.gz PNWUQMIBWBHOKA-CYBMUJFWSA-N 0 0 434.474 1.215 50 0 IDAARN COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000033021649 556686320 /nfs/dbraw/zinc/68/63/20/556686320.db2.gz AFRUUTBEYDQPJA-UHFFFAOYSA-N 0 0 446.485 1.565 50 0 IDAARN COCCN1C(=O)/C(=C\c2c(NCCCO)nc3c(C)cccn3c2=O)SC1=S ZINC000002276459 556688109 /nfs/dbraw/zinc/68/81/09/556688109.db2.gz QXYKSJJFUZILCE-SDNWHVSQSA-N 0 0 434.543 1.645 50 0 IDAARN CCCS(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)CC1 ZINC000045962198 556688778 /nfs/dbraw/zinc/68/87/78/556688778.db2.gz NJWADQKGHRRTSO-UHFFFAOYSA-N 0 0 447.586 1.984 50 0 IDAARN CCNC(=O)COc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2Cl)c1 ZINC000032937359 556689588 /nfs/dbraw/zinc/68/95/88/556689588.db2.gz XWFMPYMAPHZYGU-UHFFFAOYSA-N 0 0 446.891 1.340 50 0 IDAARN COc1ccc(C(=O)N(CCS(=O)(=O)N2CCNCC2)Cc2ccc(F)cc2)cc1 ZINC000046140929 556691784 /nfs/dbraw/zinc/69/17/84/556691784.db2.gz SHJCJWPTTULQBO-UHFFFAOYSA-N 0 0 435.521 1.712 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000252675610 556694461 /nfs/dbraw/zinc/69/44/61/556694461.db2.gz UMYRZFUHCXVESU-IBGZPJMESA-N 0 0 438.461 1.927 50 0 IDAARN O=C(CSc1nncn1C1CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000010649416 556694611 /nfs/dbraw/zinc/69/46/11/556694611.db2.gz GDZLYSLQOIYRKI-UHFFFAOYSA-N 0 0 437.547 1.042 50 0 IDAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000072314024 556694782 /nfs/dbraw/zinc/69/47/82/556694782.db2.gz ZHNOMWLXBBYEAI-OAHLLOKOSA-N 0 0 445.545 1.583 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Nc3cccs3)C2)CC1 ZINC000072314069 556695193 /nfs/dbraw/zinc/69/51/93/556695193.db2.gz HYKSTVPSDFUDIM-UHFFFAOYSA-N 0 0 430.552 1.847 50 0 IDAARN COCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024523 556695545 /nfs/dbraw/zinc/69/55/45/556695545.db2.gz VAYUMRPILPJLQD-UHFFFAOYSA-N 0 0 431.518 1.714 50 0 IDAARN COc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NC4CC4)CC3)s2)cc1 ZINC000033024622 556696163 /nfs/dbraw/zinc/69/61/63/556696163.db2.gz XGKZEQWFTMFHSA-UHFFFAOYSA-N 0 0 429.502 1.930 50 0 IDAARN COc1cc(C(=O)NCc2ccc(C(=O)NCC(OC)OC)cc2)cc(OC)c1OC ZINC000013544483 556696224 /nfs/dbraw/zinc/69/62/24/556696224.db2.gz XXJINCGCQZKFPO-UHFFFAOYSA-N 0 0 432.473 1.991 50 0 biogenic IDAARN CC[C@@H](C)[C@H](NC(=O)N1CCN(C(=O)N[C@H](C(=O)OC)[C@@H](C)CC)CC1)C(=O)OC ZINC000013575975 556698189 /nfs/dbraw/zinc/69/81/89/556698189.db2.gz GCNHBHXKPVRWGP-FZKCQIBNSA-N 0 0 428.530 1.199 50 0 IDAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3C=CS(=O)(=O)C3)CC2)cc1 ZINC000013690591 556711683 /nfs/dbraw/zinc/71/16/83/556711683.db2.gz UJZNHPROQLJDSV-JCYILVPMSA-N 0 0 426.560 1.507 50 0 IDAARN CCCS(=O)(=O)c1ncc(CN2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCO1 ZINC000019221853 556716282 /nfs/dbraw/zinc/71/62/82/556716282.db2.gz PJMCDZQJNNZZTG-SFHVURJKSA-N 0 0 434.566 1.358 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)NC4=O)CC2)cc1 ZINC000011131778 556718000 /nfs/dbraw/zinc/71/80/00/556718000.db2.gz KGSYARARGCCGQP-UHFFFAOYSA-N 0 0 443.481 1.618 50 0 IDAARN COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCc1c(C)nc2ncnn2c1C ZINC000019236197 556720831 /nfs/dbraw/zinc/72/08/31/556720831.db2.gz CDOWAMCTJNJJOX-UHFFFAOYSA-N 0 0 440.460 1.823 50 0 IDAARN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000061717796 556724016 /nfs/dbraw/zinc/72/40/16/556724016.db2.gz SYRGENFKTNXVMH-SFHVURJKSA-N 0 0 445.564 1.986 50 0 IDAARN COc1ccc2[nH]c(CCNC(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3F)nc2c1 ZINC000053523471 556726658 /nfs/dbraw/zinc/72/66/58/556726658.db2.gz ICVCAQCXYODIPF-HXUWFJFHSA-N 0 0 439.491 1.760 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2c3c(sc2-n2cnnn2)CCCC3)cc1 ZINC000061720857 556727512 /nfs/dbraw/zinc/72/75/12/556727512.db2.gz OAWZCQJPRGZFID-UHFFFAOYSA-N 0 0 432.531 1.223 50 0 IDAARN COCCOC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)CC1 ZINC000055167865 556736672 /nfs/dbraw/zinc/73/66/72/556736672.db2.gz MEGDLLBDFXYCBS-LJQANCHMSA-N 0 0 441.931 1.824 50 0 IDAARN CCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000055190372 556737181 /nfs/dbraw/zinc/73/71/81/556737181.db2.gz OUXIYIFKBSNJRQ-UHFFFAOYSA-N 0 0 438.528 1.770 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)N1CCN(C(=O)c2cccs2)CC1 ZINC000055254292 556739045 /nfs/dbraw/zinc/73/90/45/556739045.db2.gz ZZJMCJYUFWIPHT-GOSISDBHSA-N 0 0 444.532 1.562 50 0 IDAARN CC(C)OCCCNC(=O)CSc1nnc(CN2CCCC2=O)n1-c1ccccn1 ZINC000019352692 556744793 /nfs/dbraw/zinc/74/47/93/556744793.db2.gz SINOHYTUHMUEIY-UHFFFAOYSA-N 0 0 432.550 1.808 50 0 IDAARN O=C(COC(=O)c1cccc(N2CCCC2=O)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019356366 556745164 /nfs/dbraw/zinc/74/51/64/556745164.db2.gz UKLDYWUQSBFMHV-LJQANCHMSA-N 0 0 448.541 1.929 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000206245398 556748879 /nfs/dbraw/zinc/74/88/79/556748879.db2.gz UJJLCZHEZBALAC-LJQANCHMSA-N 0 0 435.484 1.783 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000206245923 556748952 /nfs/dbraw/zinc/74/89/52/556748952.db2.gz XQUKAYLGQXOATK-HSALFYBXSA-N 0 0 448.523 1.737 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000206248942 556749152 /nfs/dbraw/zinc/74/91/52/556749152.db2.gz AFVYKSYSZAANJG-LJQANCHMSA-N 0 0 437.500 1.292 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCn3cnc4ccccc43)C2=O)cc1 ZINC000206240280 556749254 /nfs/dbraw/zinc/74/92/54/556749254.db2.gz OLCFFXSHJHTFMP-LJQANCHMSA-N 0 0 435.484 1.714 50 0 IDAARN COc1ccc(CCNC(=O)CC[C@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000206256385 556749740 /nfs/dbraw/zinc/74/97/40/556749740.db2.gz AOGNVPQRXVHREZ-GOSISDBHSA-N 0 0 439.468 1.983 50 0 IDAARN COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000206252943 556749758 /nfs/dbraw/zinc/74/97/58/556749758.db2.gz LXTTVAGZZSIRSB-GOSISDBHSA-N 0 0 431.489 1.350 50 0 IDAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997357 556751860 /nfs/dbraw/zinc/75/18/60/556751860.db2.gz SFWOGLMCWSADDS-AZUAARDMSA-N 0 0 427.505 1.150 50 0 IDAARN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000058010537 556753210 /nfs/dbraw/zinc/75/32/10/556753210.db2.gz PSJXORXVIJHDJA-INIZCTEOSA-N 0 0 442.417 1.822 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000058014106 556753372 /nfs/dbraw/zinc/75/33/72/556753372.db2.gz KVBGHVZFDMBTSI-UHFFFAOYSA-N 0 0 431.478 1.411 50 0 IDAARN CC(C)N1C(=O)c2ccc(C(=O)NC3=NS(=O)(=O)c4ccccc43)cc2S1(=O)=O ZINC000058053614 556755555 /nfs/dbraw/zinc/75/55/55/556755555.db2.gz SXKLVKGREDRNKG-UHFFFAOYSA-N 0 0 433.467 1.118 50 0 IDAARN COc1cc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NCc3ccco3)CC2=O)cc(OC)c1OC ZINC000058052956 556755687 /nfs/dbraw/zinc/75/56/87/556755687.db2.gz ZHFLAFYRDBLNSG-UONOGXRCSA-N 0 0 445.472 1.479 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000058100738 556757934 /nfs/dbraw/zinc/75/79/34/556757934.db2.gz QVQMKQZXQLADOM-UHFFFAOYSA-N 0 0 425.411 1.503 50 0 IDAARN C[C@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc21)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000058101065 556758163 /nfs/dbraw/zinc/75/81/63/556758163.db2.gz NIEGCYLOWUQAIB-OIISXLGYSA-N 0 0 433.530 1.059 50 0 IDAARN NC(=O)NC(=O)COC(=O)c1cc(Br)ccc1I ZINC000058107063 556758813 /nfs/dbraw/zinc/75/88/13/556758813.db2.gz IIKPVMNUYLJQAC-UHFFFAOYSA-N 0 0 426.992 1.405 50 0 IDAARN COc1ccc(-n2ncc(C(=O)NCc3ccc(-n4cncn4)nc3)c2C(F)(F)F)nn1 ZINC000058112677 556758979 /nfs/dbraw/zinc/75/89/79/556758979.db2.gz KXOMUHZAZAQXAQ-UHFFFAOYSA-N 0 0 445.365 1.595 50 0 IDAARN COc1ccc(CCNC(=O)C2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1OC ZINC000096395629 556760889 /nfs/dbraw/zinc/76/08/89/556760889.db2.gz WJMHJGOGJQGFCH-UHFFFAOYSA-N 0 0 437.504 1.650 50 0 IDAARN C[C@H]1Oc2ccc(NC(=O)NCCS(=O)(=O)N3CCc4ccccc43)cc2NC1=O ZINC000058157440 556763039 /nfs/dbraw/zinc/76/30/39/556763039.db2.gz ZYEUBKFLBRSIBZ-CYBMUJFWSA-N 0 0 430.486 1.920 50 0 IDAARN C[C@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000061984093 556763484 /nfs/dbraw/zinc/76/34/84/556763484.db2.gz XNNCFLDMFTWHAO-CQSZACIVSA-N 0 0 446.554 1.614 50 0 IDAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000005321959 556766940 /nfs/dbraw/zinc/76/69/40/556766940.db2.gz PKYVNRZZKVDLSJ-DOTOQJQBSA-N 0 0 425.485 1.878 50 0 IDAARN COc1ccc(C)cc1NC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000058171579 556768262 /nfs/dbraw/zinc/76/82/62/556768262.db2.gz LQMVJUYSLKZSRO-UHFFFAOYSA-N 0 0 446.529 1.658 50 0 IDAARN COc1cc(C(=O)N[C@H]2CCCS(=O)(=O)c3ccccc32)cc(OC)c1OCC(N)=O ZINC000058172383 556768624 /nfs/dbraw/zinc/76/86/24/556768624.db2.gz DDHBTTFOXLETRH-HNNXBMFYSA-N 0 0 448.497 1.607 50 0 IDAARN CCCCN(C(=O)CN(C[C@@H](O)CC)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000058175784 556769375 /nfs/dbraw/zinc/76/93/75/556769375.db2.gz PBPPXSCXQUJISW-SFHVURJKSA-N 0 0 445.564 1.939 50 0 IDAARN COc1cc(OC)c(C2=CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000058175601 556769402 /nfs/dbraw/zinc/76/94/02/556769402.db2.gz GBWMETBMMBVDAO-UHFFFAOYSA-N 0 0 433.505 1.760 50 0 IDAARN CCCCN(C(=O)CN(C[C@H](O)CC)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000058175783 556769477 /nfs/dbraw/zinc/76/94/77/556769477.db2.gz PBPPXSCXQUJISW-GOSISDBHSA-N 0 0 445.564 1.939 50 0 IDAARN CN(Cc1nnc2ccccn21)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000058225158 556773762 /nfs/dbraw/zinc/77/37/62/556773762.db2.gz QOABNXAJQJNHJF-UHFFFAOYSA-N 0 0 428.499 1.613 50 0 IDAARN CC(C)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1nc(-c2cccnc2)no1 ZINC000058245584 556775283 /nfs/dbraw/zinc/77/52/83/556775283.db2.gz 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COc1cccc([C@@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)N2CCCC2)c1 ZINC000048309589 557059946 /nfs/dbraw/zinc/05/99/46/557059946.db2.gz SLILHNVHYPYYKR-LJQANCHMSA-N 0 0 439.559 1.458 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000023053935 557060182 /nfs/dbraw/zinc/06/01/82/557060182.db2.gz IZJXHPYEZQWZJC-MRXNPFEDSA-N 0 0 431.514 1.971 50 0 IDAARN O=C(Nc1ccc(-n2cncn2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000048311202 557060957 /nfs/dbraw/zinc/06/09/57/557060957.db2.gz FTIRMEHRNSYWFS-UHFFFAOYSA-N 0 0 445.480 1.776 50 0 IDAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000023074084 557061443 /nfs/dbraw/zinc/06/14/43/557061443.db2.gz FCFXIAUXWZKLSU-RDJZCZTQSA-N 0 0 435.502 1.348 50 0 IDAARN Cn1cc(C(=O)NC2CCN(C(=O)CCN3C(=O)CSc4ccccc43)CC2)cn1 ZINC000048299958 557062009 /nfs/dbraw/zinc/06/20/09/557062009.db2.gz BVDHFRWNJHIDPS-UHFFFAOYSA-N 0 0 427.530 1.670 50 0 IDAARN COCCOc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1C ZINC000048302524 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Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000011406679 557142182 /nfs/dbraw/zinc/14/21/82/557142182.db2.gz QVSVHVJVZUCGEO-HNNXBMFYSA-N 0 0 437.504 1.306 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000024395953 557146270 /nfs/dbraw/zinc/14/62/70/557146270.db2.gz KIJJFKHQAGEFJZ-HNNXBMFYSA-N 0 0 431.518 1.862 50 0 IDAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC(=O)NCc1cccs1 ZINC000024509848 557149404 /nfs/dbraw/zinc/14/94/04/557149404.db2.gz RWOBVDWTGIOWHC-UHFFFAOYSA-N 0 0 432.527 1.959 50 0 IDAARN Cc1nc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n(C[C@@H]2CCCO2)c1C ZINC000024514423 557149671 /nfs/dbraw/zinc/14/96/71/557149671.db2.gz QXCZEMZKJSBPRC-HNNXBMFYSA-N 0 0 432.550 1.608 50 0 IDAARN COC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000024597542 557152448 /nfs/dbraw/zinc/15/24/48/557152448.db2.gz FUXPKKLUOYBVAG-NRFANRHFSA-N 0 0 438.528 1.897 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[C@H](O)C(F)(F)F ZINC000072290286 557153439 /nfs/dbraw/zinc/15/34/39/557153439.db2.gz CXGCJGBRHWBXOW-KGLIPLIRSA-N 0 0 428.498 1.825 50 0 IDAARN O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612625 557155497 /nfs/dbraw/zinc/15/54/97/557155497.db2.gz YKKUTNSAFFIXKE-UHFFFAOYSA-N 0 0 427.542 1.206 50 0 IDAARN Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000024705360 557159438 /nfs/dbraw/zinc/15/94/38/557159438.db2.gz KLAYRHZDZCOXHW-UHFFFAOYSA-N 0 0 443.529 1.141 50 0 IDAARN CCCn1c(C(=O)NC[C@H]2CCCN2c2nccs2)cc2c1n(C)c(=O)n(C)c2=O ZINC000206779661 557162136 /nfs/dbraw/zinc/16/21/36/557162136.db2.gz HTTRYCZRHAAJEG-CYBMUJFWSA-N 0 0 430.534 1.304 50 0 IDAARN COCCn1c(C(=O)N[C@H]2CCN(c3nccs3)C2)cc2c1nc1ccccn1c2=O ZINC000206812306 557162433 /nfs/dbraw/zinc/16/24/33/557162433.db2.gz HJRMZFPEUWIHRX-AWEZNQCLSA-N 0 0 438.513 1.761 50 0 IDAARN CCCn1c(C(=O)NCCCc2cnc3cc(C)nn3c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000206821684 557162873 /nfs/dbraw/zinc/16/28/73/557162873.db2.gz BHAKIPLFOIVUFV-UHFFFAOYSA-N 0 0 437.504 1.162 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557184625 /nfs/dbraw/zinc/18/46/25/557184625.db2.gz JUKICROWFPJQPS-UHFFFAOYSA-N 0 0 435.440 1.879 50 0 IDAARN Nc1c(N(CC(=O)N2CCCCC2)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000024991905 557188028 /nfs/dbraw/zinc/18/80/28/557188028.db2.gz JCLVSNXMHMOAAR-GOSISDBHSA-N 0 0 441.532 1.165 50 0 IDAARN Cc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1F ZINC000025052536 557191657 /nfs/dbraw/zinc/19/16/57/557191657.db2.gz BRTNMIXKFLXCFA-JOCHJYFZSA-N 0 0 427.432 1.989 50 0 IDAARN C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000025063130 557193632 /nfs/dbraw/zinc/19/36/32/557193632.db2.gz KTIUHVUBERCLPZ-GDBMZVCRSA-N 0 0 431.514 1.552 50 0 IDAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000025065027 557193917 /nfs/dbraw/zinc/19/39/17/557193917.db2.gz XEOFVDQGMCFRFW-UHFFFAOYSA-N 0 0 426.521 1.872 50 0 IDAARN COC(=O)Cn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)[C@H]1COc2ccccc2O1 ZINC000100876237 557197714 /nfs/dbraw/zinc/19/77/14/557197714.db2.gz 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NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000025607220 557218746 /nfs/dbraw/zinc/21/87/46/557218746.db2.gz NMTSAGMJNGXCQJ-ZWKOTPCHSA-N 0 0 436.940 1.027 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3nnc(-c4ccccc4)n3)CC2)cc1 ZINC000025666380 557220972 /nfs/dbraw/zinc/22/09/72/557220972.db2.gz OANJOHWDZYIPSV-UHFFFAOYSA-N 0 0 426.502 1.507 50 0 IDAARN C[C@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC(F)(F)F ZINC000010930715 557226167 /nfs/dbraw/zinc/22/61/67/557226167.db2.gz IZNWXACPWBDSTR-JTQLQIEISA-N 0 0 442.387 1.070 50 0 IDAARN O=C([C@@H]1CCc2c[nH]nc2C1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000072302708 557227608 /nfs/dbraw/zinc/22/76/08/557227608.db2.gz QOGJWQWNNXXTJJ-GFCCVEGCSA-N 0 0 432.531 1.052 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)c1 ZINC000025832109 557228153 /nfs/dbraw/zinc/22/81/53/557228153.db2.gz CRPRXHQFDIOOCE-UHFFFAOYSA-N 0 0 443.481 1.330 50 0 IDAARN CCN(CC(=O)NC(C)C)C(=O)COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000011509650 557229669 /nfs/dbraw/zinc/22/96/69/557229669.db2.gz WKPWZBJPUFCPIA-UHFFFAOYSA-N 0 0 431.411 1.352 50 0 IDAARN Cc1cccc(C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c2cccc(C)c2)c1 ZINC000018032211 557230667 /nfs/dbraw/zinc/23/06/67/557230667.db2.gz XFCIZTGHDXDPBB-UHFFFAOYSA-N 0 0 426.469 1.940 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000018062603 557234699 /nfs/dbraw/zinc/23/46/99/557234699.db2.gz FGCHNUWBLFMHKA-UHFFFAOYSA-N 0 0 427.490 1.165 50 0 IDAARN COc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 ZINC000098213133 557236303 /nfs/dbraw/zinc/23/63/03/557236303.db2.gz ZHPMLBOJIKZFJB-UHFFFAOYSA-N 0 0 435.484 1.334 50 0 IDAARN CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1 ZINC000098213081 557236339 /nfs/dbraw/zinc/23/63/39/557236339.db2.gz ZFOZJSDJCWYVPC-UHFFFAOYSA-N 0 0 439.447 1.877 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NCCCc1ccccc1 ZINC000098213095 557236342 /nfs/dbraw/zinc/23/63/42/557236342.db2.gz ICJWHKZWWJYGGV-UHFFFAOYSA-N 0 0 437.475 1.589 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)NCc1ccc(Cl)cc1 ZINC000098213208 557236608 /nfs/dbraw/zinc/23/66/08/557236608.db2.gz XKJXHLHNUQEPMG-UHFFFAOYSA-N 0 0 443.866 1.810 50 0 IDAARN CCc1ccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 ZINC000098213213 557236675 /nfs/dbraw/zinc/23/66/75/557236675.db2.gz LMZBYRCSVQPKBJ-UHFFFAOYSA-N 0 0 437.475 1.719 50 0 IDAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C ZINC000018099485 557236927 /nfs/dbraw/zinc/23/69/27/557236927.db2.gz DNEMLVFTYUVKEE-UHFFFAOYSA-N 0 0 443.529 1.708 50 0 IDAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c(C)c1 ZINC000100056630 557238799 /nfs/dbraw/zinc/23/87/99/557238799.db2.gz LPVVNQGAQSWLEK-HXUWFJFHSA-N 0 0 427.526 1.942 50 0 IDAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)N3CCN(c4cccc(OC)c4)CC3)n2)cc1 ZINC000583649177 557240387 /nfs/dbraw/zinc/24/03/87/557240387.db2.gz JGQQGDIVYOKOIW-NRFANRHFSA-N 0 0 437.500 1.991 50 0 IDAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000026537831 557243834 /nfs/dbraw/zinc/24/38/34/557243834.db2.gz ILCNTXAHHWWWSQ-SFHVURJKSA-N 0 0 433.534 1.137 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)CCCN1Cc3ccccc3C1=O)[C@H](C(N)=O)C2 ZINC000604405005 557248426 /nfs/dbraw/zinc/24/84/26/557248426.db2.gz UDCZSPSHQDZCQG-IBGZPJMESA-N 0 0 437.496 1.879 50 0 biogenic IDAARN COCc1cc(=O)[nH]c(S[C@H]2CC(=O)N(c3ccc(N4CCOCC4)cc3)C2=O)n1 ZINC000100232918 557250490 /nfs/dbraw/zinc/25/04/90/557250490.db2.gz FINFZXHAQRJYFO-INIZCTEOSA-N 0 0 430.486 1.589 50 0 IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)N[C@H]1CCS(=O)(=O)C1 ZINC000604418885 557250784 /nfs/dbraw/zinc/25/07/84/557250784.db2.gz MFUGPRONNQXILA-DJJJIMSYSA-N 0 0 425.466 1.105 50 0 IDAARN CCCCn1c(N)c(N(C(=O)CSCC(=O)OCC)C2CCCC2)c(=O)[nH]c1=O ZINC000018223308 557252922 /nfs/dbraw/zinc/25/29/22/557252922.db2.gz GTJAWAHSNDDYKT-UHFFFAOYSA-N 0 0 426.539 1.491 50 0 IDAARN COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000023322142 557256045 /nfs/dbraw/zinc/25/60/45/557256045.db2.gz XQCMKMSEIUEONH-XOBRGWDASA-N 0 0 448.497 1.883 50 0 IDAARN Cc1cc(C)n2nc(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nc2n1 ZINC000011020045 557257900 /nfs/dbraw/zinc/25/79/00/557257900.db2.gz RKBZXYNBXWEBAH-HUUCEWRRSA-N 0 0 439.563 1.028 50 0 IDAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000027367235 557261316 /nfs/dbraw/zinc/26/13/16/557261316.db2.gz AZNMOUGBYRPURR-UHFFFAOYSA-N 0 0 430.852 1.904 50 0 IDAARN O=c1oc2ccccc2n1CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000027493173 557262822 /nfs/dbraw/zinc/26/28/22/557262822.db2.gz HRJLFWLFUJISCH-UHFFFAOYSA-N 0 0 427.404 1.976 50 0 IDAARN COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(CSc2nnnn2C)cc1=O ZINC000011024043 557267986 /nfs/dbraw/zinc/26/79/86/557267986.db2.gz NABBCHWNMXXAIA-UHFFFAOYSA-N 0 0 444.473 1.083 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CC(C)C)NC(N)=O)CC2)cc1 ZINC000008380603 557270292 /nfs/dbraw/zinc/27/02/92/557270292.db2.gz YLRPZMSBWRNHBI-QGZVFWFLSA-N 0 0 426.539 1.001 50 0 IDAARN O=C(c1ccc(CN2CCCC2=O)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000014014796 557282299 /nfs/dbraw/zinc/28/22/99/557282299.db2.gz XTIXITURYVQEGY-QFIPXVFZSA-N 0 0 449.507 1.933 50 0 IDAARN COCCS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000101473909 557287499 /nfs/dbraw/zinc/28/74/99/557287499.db2.gz DZAPTKGWRPCUAI-IBGZPJMESA-N 0 0 444.509 1.506 50 0 IDAARN O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000031810013 557294105 /nfs/dbraw/zinc/29/41/05/557294105.db2.gz RFIYDWSOTCBYNJ-KRWDZBQOSA-N 0 0 439.491 1.429 50 0 IDAARN Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1C1CC1 ZINC000013113175 557296275 /nfs/dbraw/zinc/29/62/75/557296275.db2.gz CPKYEEROUQBAQA-UHFFFAOYSA-N 0 0 437.547 1.444 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023324657 557300866 /nfs/dbraw/zinc/30/08/66/557300866.db2.gz BRBNIBKSEASKNG-UHFFFAOYSA-N 0 0 431.514 1.922 50 0 IDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C ZINC000102078169 557312597 /nfs/dbraw/zinc/31/25/97/557312597.db2.gz SNXXAJLSMFIACH-GFCCVEGCSA-N 0 0 442.468 1.621 50 0 IDAARN CN(C)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1Cl ZINC000102123179 557312913 /nfs/dbraw/zinc/31/29/13/557312913.db2.gz QWSHVPZLTBYEKU-ZIAGYGMSSA-N 0 0 439.921 1.870 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000014167695 557312989 /nfs/dbraw/zinc/31/29/89/557312989.db2.gz DCFHHEPVRAMMQU-FUHWJXTLSA-N 0 0 426.535 1.479 50 0 IDAARN Cc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000014170833 557313355 /nfs/dbraw/zinc/31/33/55/557313355.db2.gz UZIKPZQHYXKFMF-UHFFFAOYSA-N 0 0 431.514 1.313 50 0 IDAARN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1=O ZINC000014170470 557313390 /nfs/dbraw/zinc/31/33/90/557313390.db2.gz XEXQEPVZELRHRQ-OAQYLSRUSA-N 0 0 427.461 1.130 50 0 IDAARN CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000102146930 557313570 /nfs/dbraw/zinc/31/35/70/557313570.db2.gz NIVGLXXJIRMIAK-HZPDHXFCSA-N 0 0 443.500 1.729 50 0 IDAARN CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O ZINC000032739553 557314758 /nfs/dbraw/zinc/31/47/58/557314758.db2.gz IHBRUGWOJGSOAZ-UHFFFAOYSA-N 0 0 443.504 1.402 50 0 IDAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000102231544 557315156 /nfs/dbraw/zinc/31/51/56/557315156.db2.gz HOMGKHYGVFEQLI-KBPBESRZSA-N 0 0 448.273 1.675 50 0 IDAARN COc1ccc(N2C(=O)C[C@H](Sc3nc4ccccc4c(=O)n3CCO)C2=O)cc1 ZINC000102245303 557315393 /nfs/dbraw/zinc/31/53/93/557315393.db2.gz BTFSXGKURFDTLA-KRWDZBQOSA-N 0 0 425.466 1.822 50 0 IDAARN COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1nnsc1Cl ZINC000032776274 557315800 /nfs/dbraw/zinc/31/58/00/557315800.db2.gz RPHMNRNEEYBMCW-SFHVURJKSA-N 0 0 436.877 1.860 50 0 IDAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)NCc1ccco1 ZINC000102307673 557316280 /nfs/dbraw/zinc/31/62/80/557316280.db2.gz TUAJYHNELQHMGN-UHFFFAOYSA-N 0 0 434.445 1.333 50 0 IDAARN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCN3CCOCC3)s2)cc1 ZINC000032987088 557321655 /nfs/dbraw/zinc/32/16/55/557321655.db2.gz CWTINFNUWKIGKB-UHFFFAOYSA-N 0 0 435.575 1.780 50 0 IDAARN Cn1c(SCCC(=O)Nc2ccc(Cl)cc2F)nc2c1n(C)c(=O)n(C)c2=O ZINC000033299844 557331019 /nfs/dbraw/zinc/33/10/19/557331019.db2.gz PHGAKBJVKJBPNL-UHFFFAOYSA-N 0 0 425.873 1.884 50 0 IDAARN Cc1cc(C)n2nc(CCCOC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]43)nc2n1 ZINC000222042766 557332803 /nfs/dbraw/zinc/33/28/03/557332803.db2.gz WARUIXUUULAOHA-RLFYNMQTSA-N 0 0 432.550 1.943 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O ZINC000014624650 557345691 /nfs/dbraw/zinc/34/56/91/557345691.db2.gz OBOGJPYHIFASBH-UHFFFAOYSA-N 0 0 429.271 1.568 50 0 IDAARN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCc1nnc2ccccn21 ZINC000023440712 557357757 /nfs/dbraw/zinc/35/77/57/557357757.db2.gz WVUSHERZVQAIMC-UHFFFAOYSA-N 0 0 427.262 1.908 50 0 IDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000102611040 557358978 /nfs/dbraw/zinc/35/89/78/557358978.db2.gz OSBGSEHADJMEIK-UHFFFAOYSA-N 0 0 444.440 1.484 50 0 IDAARN O=c1[nH]c2cc(S(=O)(=O)N3CCC[C@H](Cc4nc(-c5cnccn5)no4)C3)ccc2o1 ZINC000220889395 557369479 /nfs/dbraw/zinc/36/94/79/557369479.db2.gz RAXCUBSSDMZYFG-GFCCVEGCSA-N 0 0 442.457 1.605 50 0 IDAARN CCCCN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000024004945 557390487 /nfs/dbraw/zinc/39/04/87/557390487.db2.gz AFEHOZFCNJBTKC-XCLFUZPHSA-N 0 0 437.566 1.362 50 0 IDAARN Cc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCOCC4)c3N)cc2)cc1 ZINC000033435993 557397661 /nfs/dbraw/zinc/39/76/61/557397661.db2.gz OVSNBAWMSUDNHR-UHFFFAOYSA-N 0 0 442.501 1.431 50 0 IDAARN CC[C@@]1(N2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)CCN(S(C)(=O)=O)C1 ZINC000102912562 557412377 /nfs/dbraw/zinc/41/23/77/557412377.db2.gz CBEPXIRTIFKAQL-LJQANCHMSA-N 0 0 437.591 1.710 50 0 IDAARN CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)c3ccccn3)cc2)CC1 ZINC000408521353 557413499 /nfs/dbraw/zinc/41/34/99/557413499.db2.gz QHSUKZMAAFQMBZ-GOSISDBHSA-N 0 0 432.546 1.435 50 0 IDAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)c3ccccn3)cc2)CC1 ZINC000408521354 557413607 /nfs/dbraw/zinc/41/36/07/557413607.db2.gz QHSUKZMAAFQMBZ-SFHVURJKSA-N 0 0 432.546 1.435 50 0 IDAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccnc(C)n3)c2)CC1 ZINC000408525293 557414204 /nfs/dbraw/zinc/41/42/04/557414204.db2.gz UOZDQHYSLSHRQG-KRWDZBQOSA-N 0 0 433.534 1.115 50 0 IDAARN CCOC(=O)C1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000004964279 557417634 /nfs/dbraw/zinc/41/76/34/557417634.db2.gz CSNFAPSNAPTMSB-UHFFFAOYSA-N 0 0 425.551 1.931 50 0 IDAARN COC(=O)CC1CCN(C(=O)C[C@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)CC1 ZINC000223229227 557448744 /nfs/dbraw/zinc/44/87/44/557448744.db2.gz CEIRATDWYPCLNV-LJQANCHMSA-N 0 0 440.500 1.823 50 0 IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000105378474 557496957 /nfs/dbraw/zinc/49/69/57/557496957.db2.gz SQGPABFIJDWYSY-ZHQAUJEGSA-N 0 0 449.507 1.559 50 0 biogenic IDAARN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N1CCN(C)CC1 ZINC000019852335 557509333 /nfs/dbraw/zinc/50/93/33/557509333.db2.gz VFFXRXLAQLINOW-UHFFFAOYSA-N 0 0 446.577 1.145 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2nc3c(C)cccc3c(=O)[nH]2)n(C)c1 ZINC000018397136 557512539 /nfs/dbraw/zinc/51/25/39/557512539.db2.gz DAYSDAJZOUXMMS-UHFFFAOYSA-N 0 0 432.502 1.958 50 0 IDAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030779 557524019 /nfs/dbraw/zinc/52/40/19/557524019.db2.gz LLGGMPDRUZJOBH-INIZCTEOSA-N 0 0 437.495 1.671 50 0 IDAARN CCCn1c(CCC(=O)O[C@H](C)C(N)=O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012045711 557525430 /nfs/dbraw/zinc/52/54/30/557525430.db2.gz HIOBIEZALVIPOW-CQSZACIVSA-N 0 0 436.534 1.580 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCc3cccnc3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946310 557550763 /nfs/dbraw/zinc/55/07/63/557550763.db2.gz OMBSVCVSFLLCHM-UHFFFAOYSA-N 0 0 433.428 1.098 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1OC ZINC000045970412 557557880 /nfs/dbraw/zinc/55/78/80/557557880.db2.gz GBOQXQMAOWCDTJ-UHFFFAOYSA-N 0 0 431.474 1.346 50 0 IDAARN CC(C)CN(C(=O)c1cnc2ccccn2c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000040129365 557697757 /nfs/dbraw/zinc/69/77/57/557697757.db2.gz ABUVJHKNWPEELM-UHFFFAOYSA-N 0 0 426.477 1.086 50 0 IDAARN COC(=O)c1cn([C@@H]2CCCC[C@H]2NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nn1 ZINC000040152510 557704388 /nfs/dbraw/zinc/70/43/88/557704388.db2.gz TUDJJWLHMPJTJQ-GDBMZVCRSA-N 0 0 446.508 1.262 50 0 IDAARN C[C@@](O)(Cn1ccc2sccc2c1=O)C(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000225443147 557723171 /nfs/dbraw/zinc/72/31/71/557723171.db2.gz WTCQLTZQFIRDMC-LJQANCHMSA-N 0 0 434.543 1.741 50 0 IDAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000225455180 557724795 /nfs/dbraw/zinc/72/47/95/557724795.db2.gz KBQYGCIVISVARR-GFCCVEGCSA-N 0 0 432.545 1.270 50 0 IDAARN CC(=O)N[C@](C)(C(=O)NCc1ccnc(OCC2CC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225480205 557727859 /nfs/dbraw/zinc/72/78/59/557727859.db2.gz PCZIOMBDPHEQIE-QFIPXVFZSA-N 0 0 445.541 1.942 50 0 IDAARN O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000225564263 557743044 /nfs/dbraw/zinc/74/30/44/557743044.db2.gz XLGHAVPBTNDTNS-SFHVURJKSA-N 0 0 433.516 1.889 50 0 IDAARN CC(C)CN1C[C@@H]2CN(C(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)CCN2C1=O ZINC000225613801 557752160 /nfs/dbraw/zinc/75/21/60/557752160.db2.gz OPNHFHHBIOCXAA-QQMNAOGKSA-N 0 0 447.580 1.728 50 0 IDAARN CC(C)CN1C[C@@H]2CN(C(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)CCN2C1=O ZINC000225613864 557752190 /nfs/dbraw/zinc/75/21/90/557752190.db2.gz OPNHFHHBIOCXAA-HKARXFIJSA-N 0 0 447.580 1.728 50 0 IDAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000225622779 557753262 /nfs/dbraw/zinc/75/32/62/557753262.db2.gz XPNNKOISMKQEDB-CPUCHLNUSA-N 0 0 425.482 1.183 50 0 IDAARN CNC(=O)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1 ZINC000225722686 557768643 /nfs/dbraw/zinc/76/86/43/557768643.db2.gz HWDQUZUDXDWSGA-ZDUSSCGKSA-N 0 0 444.513 1.125 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]12 ZINC000226650648 557807578 /nfs/dbraw/zinc/80/75/78/557807578.db2.gz PNMGKNIZLDIVSS-DVRVPYBTSA-N 0 0 427.409 1.545 50 0 IDAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2SC(N)=C3C(=O)Oc4ccccc4[C@H]3[C@@H]2C1=O ZINC000226885804 557810481 /nfs/dbraw/zinc/81/04/81/557810481.db2.gz VDJYLKBQDGNOHS-YQQAZPJKSA-N 0 0 436.445 1.951 50 0 IDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000229881311 557833363 /nfs/dbraw/zinc/83/33/63/557833363.db2.gz BUPDNDBUWANODG-AVGVDARLSA-N 0 0 439.443 1.136 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccccc1 ZINC000003640602 557849857 /nfs/dbraw/zinc/84/98/57/557849857.db2.gz DGNSHDORJARQCX-IBGZPJMESA-N 0 0 430.342 1.666 50 0 IDAARN CCCC(=O)Nc1ccc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000018776749 557858520 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Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2c1=O ZINC000003311152 562934069 /nfs/dbraw/zinc/93/40/69/562934069.db2.gz KYFSPNXISNOYII-UHFFFAOYSA-N 0 0 428.470 1.207 50 0 IDAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OCO2 ZINC000003316795 562934142 /nfs/dbraw/zinc/93/41/42/562934142.db2.gz FGZGUAQKFFZJJA-UHFFFAOYSA-N 0 0 448.453 1.232 50 0 IDAARN COc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 ZINC000003336304 562934387 /nfs/dbraw/zinc/93/43/87/562934387.db2.gz HPLHTVFIJXOJHJ-UHFFFAOYSA-N 0 0 434.470 1.981 50 0 IDAARN CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(C)c(C)c2c1=O ZINC000003374311 562934974 /nfs/dbraw/zinc/93/49/74/562934974.db2.gz RBDRYGVCXBHPRD-UHFFFAOYSA-N 0 0 435.531 1.049 50 0 IDAARN CCN(C(=O)COC(=O)COc1ccc2c(C)cc(=O)oc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000003398670 562935186 /nfs/dbraw/zinc/93/51/86/562935186.db2.gz OIELGYNBMOOZHF-CQSZACIVSA-N 0 0 437.470 1.059 50 0 IDAARN CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000003450752 562936004 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50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(-c3cccs3)nc2n(C)c1=O ZINC000006530512 562947099 /nfs/dbraw/zinc/94/70/99/562947099.db2.gz ZVGWDCQEANUGTP-NSHDSACASA-N 0 0 447.542 1.143 50 0 IDAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)NC1CCCC1 ZINC000006530855 562947193 /nfs/dbraw/zinc/94/71/93/562947193.db2.gz FBMAPIXEWNPNOO-UHFFFAOYSA-N 0 0 444.492 1.525 50 0 aggregator IDAARN CCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OCC)C3)cc2oc1=O ZINC000006577774 562947801 /nfs/dbraw/zinc/94/78/01/562947801.db2.gz PGKQFRKADHLXEG-CYBMUJFWSA-N 0 0 440.474 1.121 50 0 IDAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000008231383 562949138 /nfs/dbraw/zinc/94/91/38/562949138.db2.gz FILZFNLAOVLMSO-PEBXRYMYSA-N 0 0 425.489 1.772 50 0 IDAARN CCOC(=O)[C@H](C)Sc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1 ZINC000008589440 562951189 /nfs/dbraw/zinc/95/11/89/562951189.db2.gz FSAFOEOMQNTZAU-AWEZNQCLSA-N 0 0 449.558 1.997 50 0 IDAARN C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Br)cc1 ZINC000008590518 562951693 /nfs/dbraw/zinc/95/16/93/562951693.db2.gz MUCGHGLCDADONO-NSHDSACASA-N 0 0 436.310 1.427 50 0 IDAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(F)cc4)C3)ccc21 ZINC000008603672 562956069 /nfs/dbraw/zinc/95/60/69/562956069.db2.gz QHYPVPHQYRVIBU-HNNXBMFYSA-N 0 0 447.488 1.988 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1ccccc1 ZINC000008603773 562956122 /nfs/dbraw/zinc/95/61/22/562956122.db2.gz KIMSLNYTKCXOPA-MRXNPFEDSA-N 0 0 449.554 1.848 50 0 IDAARN CC[C@H](C)NC(=O)Cn1c2ccsc2c(=O)n(CC2CCC(C(=O)NC)CC2)c1=O ZINC000008605725 562956801 /nfs/dbraw/zinc/95/68/01/562956801.db2.gz FJKZWGPKEGXLEA-NFOMZHRRSA-N 0 0 434.562 1.692 50 0 IDAARN COC(=O)c1ccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000008608271 562957432 /nfs/dbraw/zinc/95/74/32/562957432.db2.gz PFHNCPXQDDGJIC-UHFFFAOYSA-N 0 0 446.489 1.290 50 0 IDAARN COc1ccccc1-n1c2nc(-c3cccc(OC)c3OC)nc(C(N)=O)c2n(C)c1=O ZINC000008610403 562958191 /nfs/dbraw/zinc/95/81/91/562958191.db2.gz UWJMSMDLUILZPN-UHFFFAOYSA-N 0 0 435.440 1.911 50 0 IDAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)CCS(=O)(=O)c2ccccc2)c1C ZINC000008639202 562960151 /nfs/dbraw/zinc/96/01/51/562960151.db2.gz GJVYZURXBKIXHR-UHFFFAOYSA-N 0 0 432.498 1.765 50 0 IDAARN COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nonc43)C2)c1 ZINC000008670597 562960731 /nfs/dbraw/zinc/96/07/31/562960731.db2.gz RTPBXNWLSULTHQ-OAHLLOKOSA-N 0 0 430.486 1.949 50 0 IDAARN Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)n1 ZINC000008671788 562960988 /nfs/dbraw/zinc/96/09/88/562960988.db2.gz PFNPUQPVHVNANX-UHFFFAOYSA-N 0 0 436.515 1.936 50 0 IDAARN COCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000008680299 562961509 /nfs/dbraw/zinc/96/15/09/562961509.db2.gz NPHRSTSBVOPAHK-UHFFFAOYSA-N 0 0 444.875 1.540 50 0 IDAARN CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000008789885 562964122 /nfs/dbraw/zinc/96/41/22/562964122.db2.gz 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C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)NC1CCCC1 ZINC000009128177 562967584 /nfs/dbraw/zinc/96/75/84/562967584.db2.gz GCIIACRNQDNHED-CYBMUJFWSA-N 0 0 428.482 1.451 50 0 IDAARN NC(=O)Nc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009144722 562967875 /nfs/dbraw/zinc/96/78/75/562967875.db2.gz NHISCFFWTPEBEL-SFHVURJKSA-N 0 0 445.497 1.550 50 0 IDAARN Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000009284942 562968903 /nfs/dbraw/zinc/96/89/03/562968903.db2.gz AOQLWCQGKVQOMM-UHFFFAOYSA-N 0 0 448.545 1.973 50 0 IDAARN Nc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 ZINC000009335285 562969391 /nfs/dbraw/zinc/96/93/91/562969391.db2.gz GGCCLTQQEYHOSR-UHFFFAOYSA-N 0 0 449.967 1.525 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2OC)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009430161 562970603 /nfs/dbraw/zinc/97/06/03/562970603.db2.gz NBLPYLGNOWTTPP-FBKCMUNRSA-N 0 0 438.527 1.767 50 0 IDAARN O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccccc1 ZINC000009442204 562971220 /nfs/dbraw/zinc/97/12/20/562971220.db2.gz ILEVPBQUIOCYQI-UHFFFAOYSA-N 0 0 446.525 1.500 50 0 IDAARN COc1ccccc1NCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009442522 562971254 /nfs/dbraw/zinc/97/12/54/562971254.db2.gz YJQZQXBSZIEURN-UHFFFAOYSA-N 0 0 435.502 1.929 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 ZINC000009469591 562971756 /nfs/dbraw/zinc/97/17/56/562971756.db2.gz BKQOLBMNYFASEQ-QGZVFWFLSA-N 0 0 430.530 1.781 50 0 IDAARN Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)C(C)C)cc1 ZINC000009492517 562972173 /nfs/dbraw/zinc/97/21/73/562972173.db2.gz BFLBRQCJDUYVHX-IBGZPJMESA-N 0 0 447.513 1.579 50 0 IDAARN CC[C@H](C)N(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009546858 562973160 /nfs/dbraw/zinc/97/31/60/562973160.db2.gz LAFVFWLVQDLLHA-HTZUNMPGSA-N 0 0 433.530 1.194 50 0 IDAARN C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009551277 562973280 /nfs/dbraw/zinc/97/32/80/562973280.db2.gz AELJXFIXWMQNPJ-AWEZNQCLSA-N 0 0 444.513 1.752 50 0 IDAARN Cc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000009577630 562973416 /nfs/dbraw/zinc/97/34/16/562973416.db2.gz LBJLYVDFAWYZPT-MRXNPFEDSA-N 0 0 437.543 1.226 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1cccc[n+]1[O-] ZINC000009580529 562973535 /nfs/dbraw/zinc/97/35/35/562973535.db2.gz AYCCTTRGRSAARV-UHFFFAOYSA-N 0 0 439.515 1.080 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)CC1 ZINC000009599793 562973876 /nfs/dbraw/zinc/97/38/76/562973876.db2.gz AHQLWEBMCWXDCA-UHFFFAOYSA-N 0 0 427.490 1.579 50 0 IDAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)NCCc1ccccc1 ZINC000009661791 562974826 /nfs/dbraw/zinc/97/48/26/562974826.db2.gz WDTJIMKLKLDYJE-UHFFFAOYSA-N 0 0 432.498 1.692 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000009663364 562974926 /nfs/dbraw/zinc/97/49/26/562974926.db2.gz VQRDUGXVTFVFTN-UHFFFAOYSA-N 0 0 442.501 1.308 50 0 IDAARN CN(C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009671890 562975182 /nfs/dbraw/zinc/97/51/82/562975182.db2.gz MOOLQTLZIKIWSQ-SFHVURJKSA-N 0 0 441.509 1.128 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2ccco2)cc1 ZINC000009745207 562976406 /nfs/dbraw/zinc/97/64/06/562976406.db2.gz VNYWJOPUQIFDMT-QGZVFWFLSA-N 0 0 433.530 1.954 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000009745080 562976413 /nfs/dbraw/zinc/97/64/13/562976413.db2.gz OIMMMHOBHQVJNK-MSOLQXFVSA-N 0 0 437.562 1.340 50 0 IDAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCNS(=O)(=O)c1cccc(C)c1 ZINC000009782198 562976846 /nfs/dbraw/zinc/97/68/46/562976846.db2.gz MDWLXOFMIIYDLU-UHFFFAOYSA-N 0 0 435.521 1.967 50 0 IDAARN O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000009806038 562976994 /nfs/dbraw/zinc/97/69/94/562976994.db2.gz OEVIOSFBBSWQDT-SFHVURJKSA-N 0 0 433.505 1.454 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 ZINC000009806714 562977079 /nfs/dbraw/zinc/97/70/79/562977079.db2.gz QMAINLHKFACPGX-INIZCTEOSA-N 0 0 435.477 1.742 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2cccs2)c1 ZINC000009807230 562977158 /nfs/dbraw/zinc/97/71/58/562977158.db2.gz AEAPJQBOOXWGNQ-MRXNPFEDSA-N 0 0 435.571 1.951 50 0 IDAARN CCCCn1c(N)c(N(CC)C(=O)CCNC(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000009955401 562977914 /nfs/dbraw/zinc/97/79/14/562977914.db2.gz GIXUHOCNNHETLK-UHFFFAOYSA-N 0 0 435.912 1.745 50 0 IDAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1C ZINC000009961336 562977979 /nfs/dbraw/zinc/97/79/79/562977979.db2.gz WXZLTHYYXBGDJW-UHFFFAOYSA-N 0 0 444.513 1.113 50 0 IDAARN COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC ZINC000009961044 562977996 /nfs/dbraw/zinc/97/79/96/562977996.db2.gz AGYJGEHBFOHXCZ-UHFFFAOYSA-N 0 0 435.502 1.647 50 0 IDAARN COc1cccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000009988776 562978222 /nfs/dbraw/zinc/97/82/22/562978222.db2.gz MMOJRQRMNADSBA-UHFFFAOYSA-N 0 0 432.498 1.953 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 ZINC000010151223 562978503 /nfs/dbraw/zinc/97/85/03/562978503.db2.gz VUEIQNPKGGKVBK-HUUCEWRRSA-N 0 0 442.509 1.508 50 0 IDAARN CCN(C(=O)COC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000011807045 562979279 /nfs/dbraw/zinc/97/92/79/562979279.db2.gz ZLMHNLQEMPHLSM-HZRUHFOJSA-N 0 0 447.456 1.889 50 0 IDAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000012905028 562983443 /nfs/dbraw/zinc/98/34/43/562983443.db2.gz HWIOZEBVKYBWHJ-UHFFFAOYSA-N 0 0 449.529 1.859 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000012933469 562983534 /nfs/dbraw/zinc/98/35/34/562983534.db2.gz OJSDYSWWMLDQLM-UHFFFAOYSA-N 0 0 428.507 1.966 50 0 IDAARN COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000012950318 562983587 /nfs/dbraw/zinc/98/35/87/562983587.db2.gz ZDAGFGFLWFXCMT-MRXNPFEDSA-N 0 0 441.303 1.758 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000012976408 562983713 /nfs/dbraw/zinc/98/37/13/562983713.db2.gz XFEPRCWRWOJSDT-IBGZPJMESA-N 0 0 425.595 1.915 50 0 IDAARN CCOC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000012999950 562983888 /nfs/dbraw/zinc/98/38/88/562983888.db2.gz XPSWTHZGANJHKN-UHFFFAOYSA-N 0 0 446.287 1.567 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccccc2)n(C)c1=O ZINC000013115922 562984526 /nfs/dbraw/zinc/98/45/26/562984526.db2.gz UEUBDMGNETZVBL-UHFFFAOYSA-N 0 0 425.489 1.498 50 0 IDAARN CC[C@H](C)N(C(=O)CSc1nnnn1-c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000015227035 563017668 /nfs/dbraw/zinc/01/76/68/563017668.db2.gz OQFIJYBEQYFDFG-UONOGXRCSA-N 0 0 439.563 1.577 50 0 IDAARN COc1ccccc1CNC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N ZINC000015936364 563018838 /nfs/dbraw/zinc/01/88/38/563018838.db2.gz IAQGIYLBUKGXEY-UHFFFAOYSA-N 0 0 443.323 1.420 50 0 IDAARN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000015943983 563020169 /nfs/dbraw/zinc/02/01/69/563020169.db2.gz FFGMKCRDRBRSQX-WMLDXEAASA-N 0 0 431.514 1.936 50 0 IDAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C(=O)N1c1ccccc1F ZINC000025480275 563027481 /nfs/dbraw/zinc/02/74/81/563027481.db2.gz KRABIHNEFPBQDR-KRWDZBQOSA-N 0 0 435.452 1.603 50 0 IDAARN CCCn1c2nc(-c3ccc(OC(F)F)cc3)n(CCN3CCOCC3)c2c(=O)[nH]c1=O ZINC000025436998 563027513 /nfs/dbraw/zinc/02/75/13/563027513.db2.gz LTJMUISIAVHNBX-UHFFFAOYSA-N 0 0 449.458 1.897 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000036227483 563092216 /nfs/dbraw/zinc/09/22/16/563092216.db2.gz ZKVDQMZUNVXXMS-UHFFFAOYSA-N 0 0 425.457 1.918 50 0 IDAARN Cc1nnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000037866292 563095883 /nfs/dbraw/zinc/09/58/83/563095883.db2.gz ZPSPLYYOEFGMIF-UHFFFAOYSA-N 0 0 435.579 1.622 50 0 IDAARN O=C(NCc1cccnc1)C(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000056896072 563142687 /nfs/dbraw/zinc/14/26/87/563142687.db2.gz DBJCSQLRGXTEIN-QHCPKHFHSA-N 0 0 444.539 1.773 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000057352194 563143109 /nfs/dbraw/zinc/14/31/09/563143109.db2.gz QVKLYTDLLJLZSH-UHFFFAOYSA-N 0 0 436.965 1.468 50 0 IDAARN O=C(c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1)N1CCN(c2ccccn2)CC1 ZINC000012030424 568625093 /nfs/dbraw/zinc/62/50/93/568625093.db2.gz KJFIEUZESLVFGP-SFHVURJKSA-N 0 0 449.554 1.005 50 0 IDAARN CCOC(=O)[C@@H]1CNc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2O1 ZINC000222376302 568640708 /nfs/dbraw/zinc/64/07/08/568640708.db2.gz VJKZFBJHHUNAQE-FQEVSTJZSA-N 0 0 431.514 1.934 50 0 IDAARN CC1(C)OC(=O)C(=C2[C@@H]3[C@@H]4[C@H]5[C@@H]3[C@@H]3C[C@H]5[C@@H]([C@H]23)[C@@H]4C2C(=O)OC(C)(C)OC2=O)C(=O)O1 ZINC000254442891 568644595 /nfs/dbraw/zinc/64/45/95/568644595.db2.gz PHADMZAJWXLMAT-WXEJZYMTSA-N 0 0 428.437 1.575 50 0 IDAARN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)cc1 ZINC000025216798 568648050 /nfs/dbraw/zinc/64/80/50/568648050.db2.gz BXXFRNCANGLGLB-UHFFFAOYSA-N 0 0 449.529 1.885 50 0 IDAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CC3)CC2)c(C)c1C ZINC000025402962 568655010 /nfs/dbraw/zinc/65/50/10/568655010.db2.gz RIKCVHOMDMCXCQ-UHFFFAOYSA-N 0 0 436.578 1.523 50 0 IDAARN O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019108115 568740061 /nfs/dbraw/zinc/74/00/61/568740061.db2.gz DUPTYKSRZGKPMW-UHFFFAOYSA-N 0 0 442.519 1.526 50 0 IDAARN C[C@@H]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C(N)=O)C1 ZINC000003297854 568745537 /nfs/dbraw/zinc/74/55/37/568745537.db2.gz QDKCOUSQANWOMA-SNVBAGLBSA-N 0 0 433.511 1.755 50 0 IDAARN COc1cc(C(=O)NCC2CCN(C(=O)c3cccn(C)c3=O)CC2)cc(OC)c1OC ZINC000044001045 568745545 /nfs/dbraw/zinc/74/55/45/568745545.db2.gz YDGKRGOKPXREGV-UHFFFAOYSA-N 0 0 443.500 1.693 50 0 IDAARN O=C(COC(=O)c1cccnc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003312604 568745881 /nfs/dbraw/zinc/74/58/81/568745881.db2.gz DHBUXXAGPHWCQQ-UHFFFAOYSA-N 0 0 439.877 1.551 50 0 IDAARN C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003414543 568748721 /nfs/dbraw/zinc/74/87/21/568748721.db2.gz KXHGSUGAWDBHEL-HNNXBMFYSA-N 0 0 447.513 1.918 50 0 IDAARN CNC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)c3cn(C)nc3OC)cc2)n1 ZINC000044224802 568749938 /nfs/dbraw/zinc/74/99/38/568749938.db2.gz KZEXEKXTECVRAU-UHFFFAOYSA-N 0 0 428.474 1.678 50 0 IDAARN O=C(NCCN1CCN(C(=O)NCc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000044227490 568750157 /nfs/dbraw/zinc/75/01/57/568750157.db2.gz DNJXIARWUFZDHT-UHFFFAOYSA-N 0 0 428.464 1.812 50 0 IDAARN CC(C)c1c(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(=O)n(-c2ccccc2)n1C ZINC000078254005 568760796 /nfs/dbraw/zinc/76/07/96/568760796.db2.gz BPFAFVWZKVMWQI-UHFFFAOYSA-N 0 0 441.513 1.736 50 0 IDAARN Cc1cn2nnc(C(=O)N3CCC(C(=O)NCc4cc(F)cc(F)c4)CC3)c2c(=O)[nH]1 ZINC000263619007 568777843 /nfs/dbraw/zinc/77/78/43/568777843.db2.gz WMCGBRJUNSWJCZ-UHFFFAOYSA-N 0 0 430.415 1.585 50 0 IDAARN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000083843883 568782815 /nfs/dbraw/zinc/78/28/15/568782815.db2.gz HGYOJXCRMNTLKP-MRXNPFEDSA-N 0 0 430.404 1.879 50 0 IDAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O ZINC000045896471 568783036 /nfs/dbraw/zinc/78/30/36/568783036.db2.gz GTYZCPRFNXCLAP-UHFFFAOYSA-N 0 0 440.500 1.769 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000083852210 568783217 /nfs/dbraw/zinc/78/32/17/568783217.db2.gz KLHAIHNMCQDAHM-UHFFFAOYSA-N 0 0 448.501 1.736 50 0 IDAARN Cc1c(NC(=O)Cn2cc(I)cn2)c(=O)n(-c2ccccc2)n1C ZINC000001432978 568795472 /nfs/dbraw/zinc/79/54/72/568795472.db2.gz PYXQFRDWBIVJJJ-UHFFFAOYSA-N 0 0 437.241 1.924 50 0 IDAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015518341 568796427 /nfs/dbraw/zinc/79/64/27/568796427.db2.gz KSQKTCUQPSUZOU-HXUWFJFHSA-N 0 0 447.557 1.847 50 0 IDAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015518340 568796562 /nfs/dbraw/zinc/79/65/62/568796562.db2.gz KSQKTCUQPSUZOU-FQEVSTJZSA-N 0 0 447.557 1.847 50 0 IDAARN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000084637076 568799339 /nfs/dbraw/zinc/79/93/39/568799339.db2.gz JSDDLXGXAQHGDV-MGPUTAFESA-N 0 0 433.530 1.413 50 0 IDAARN CC[C@]1(c2ccc(OC(=O)c3ccc(N4CCCS4(=O)=O)cc3)cc2)NC(=O)NC1=O ZINC000084735390 568800492 /nfs/dbraw/zinc/80/04/92/568800492.db2.gz ILDKHMQNLQWQFV-OAQYLSRUSA-N 0 0 443.481 1.890 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2(C(=O)OC)CCCC2)c1 ZINC000084774007 568801320 /nfs/dbraw/zinc/80/13/20/568801320.db2.gz QHBSPUYOJAYFSE-UHFFFAOYSA-N 0 0 439.534 1.049 50 0 IDAARN O=C(CCc1nnc2ccc(N3CCOCC3)nn21)N1CCN(Cc2ccccc2)CC1 ZINC000015678924 568805487 /nfs/dbraw/zinc/80/54/87/568805487.db2.gz VVLYHCOSACYTER-UHFFFAOYSA-N 0 0 435.532 1.238 50 0 IDAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)c(C)c1 ZINC000015680248 568806076 /nfs/dbraw/zinc/80/60/76/568806076.db2.gz SZJRYHJEAQZBKX-QFIPXVFZSA-N 0 0 429.542 1.987 50 0 IDAARN CN1c2ccc(S(=O)(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)cc2CC1=O ZINC000015731665 568814526 /nfs/dbraw/zinc/81/45/26/568814526.db2.gz MKFLBTFTEZINER-UHFFFAOYSA-N 0 0 441.553 1.714 50 0 IDAARN COc1ccc(OC)c(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000015731688 568814564 /nfs/dbraw/zinc/81/45/64/568814564.db2.gz HYAFTVLPIBIBEK-UHFFFAOYSA-N 0 0 432.498 1.703 50 0 IDAARN CC1=C(C(=O)NCc2cccnc2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731374 568814901 /nfs/dbraw/zinc/81/49/01/568814901.db2.gz KPODMGAKBWZXKP-UHFFFAOYSA-N 0 0 447.538 1.856 50 0 biogenic IDAARN CCCCc1nn2c(nc(COC(=O)CNC(=O)c3cccc(OC)c3)cc2=O)s1 ZINC000015733914 568816026 /nfs/dbraw/zinc/81/60/26/568816026.db2.gz PEHDZJDLBHZJJK-UHFFFAOYSA-N 0 0 430.486 1.975 50 0 IDAARN Cc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NC[C@H]2CCCO2)C3)c1 ZINC000085413627 568818816 /nfs/dbraw/zinc/81/88/16/568818816.db2.gz UYGZORQYEPDMEW-VQIMIIECSA-N 0 0 426.517 1.861 50 0 IDAARN CCN(CC)C(=O)c1c(C)nn(S(=O)(=O)c2ccc(Cl)cc2)c1S(C)(=O)=O ZINC000085429867 568820041 /nfs/dbraw/zinc/82/00/41/568820041.db2.gz RILKIBPIIZRUCI-UHFFFAOYSA-N 0 0 433.939 1.967 50 0 IDAARN O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000015766537 568821517 /nfs/dbraw/zinc/82/15/17/568821517.db2.gz RSAZEFQSBKURPT-INIZCTEOSA-N 0 0 429.498 1.881 50 0 IDAARN O=C(NCCCN1CCCC1=O)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000015770543 568822300 /nfs/dbraw/zinc/82/23/00/568822300.db2.gz CHAUCFSAPIXVDN-UHFFFAOYSA-N 0 0 432.546 1.686 50 0 IDAARN O=C(NCCc1ccccc1)N1CCC(N2CCN(Cc3ccccn3)C(=O)C2=O)CC1 ZINC000015774575 568823284 /nfs/dbraw/zinc/82/32/84/568823284.db2.gz MTAJKLGBBLZXGX-UHFFFAOYSA-N 0 0 435.528 1.669 50 0 IDAARN COc1ccc(CCNS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1OC ZINC000001481429 568825154 /nfs/dbraw/zinc/82/51/54/568825154.db2.gz VKHJDBLZCWNLIO-UHFFFAOYSA-N 0 0 433.490 1.424 50 0 IDAARN Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)ccc21 ZINC000015784225 568826741 /nfs/dbraw/zinc/82/67/41/568826741.db2.gz QYRDNLVWLOTTMX-UHFFFAOYSA-N 0 0 434.562 1.027 50 0 IDAARN CCC(C)(C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1 ZINC000085651819 568831515 /nfs/dbraw/zinc/83/15/15/568831515.db2.gz USZNEHZSZRHZAX-UHFFFAOYSA-N 0 0 427.548 1.389 50 0 IDAARN COC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccccc1 ZINC000001516875 568839775 /nfs/dbraw/zinc/83/97/75/568839775.db2.gz JZVXXKCISRTHDW-NOCRFKNCSA-N 0 0 448.500 1.160 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCc1ccccc1Cl)OCC(=O)N2 ZINC000015822270 568839995 /nfs/dbraw/zinc/83/99/95/568839995.db2.gz JCPPLHFPWNBCSD-UHFFFAOYSA-N 0 0 437.905 1.916 50 0 IDAARN COc1ccc(OC)c(NC(=O)COc2cc(CSc3nnnn3C)ncc2OC)c1 ZINC000015824210 568840374 /nfs/dbraw/zinc/84/03/74/568840374.db2.gz NNZIPCOFIQFESP-UHFFFAOYSA-N 0 0 446.489 1.941 50 0 IDAARN Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cnn1C ZINC000006156805 568848268 /nfs/dbraw/zinc/84/82/68/568848268.db2.gz XLCMILSAGJRIBZ-LBPRGKRZSA-N 0 0 442.339 1.925 50 0 IDAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)NC(C)C)CC1 ZINC000015865885 568850486 /nfs/dbraw/zinc/85/04/86/568850486.db2.gz ZBKWXIRSHMOBEA-UHFFFAOYSA-N 0 0 439.582 1.048 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccccc3C)CC2)cc1 ZINC000015881652 568855946 /nfs/dbraw/zinc/85/59/46/568855946.db2.gz KSPWUAJSVPCVKJ-UHFFFAOYSA-N 0 0 431.558 1.805 50 0 IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015958406 568860331 /nfs/dbraw/zinc/86/03/31/568860331.db2.gz SQGPABFIJDWYSY-RAEPRXOMSA-N 0 0 449.507 1.559 50 0 biogenic IDAARN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967486 568860634 /nfs/dbraw/zinc/86/06/34/568860634.db2.gz HBCVETSGEQSJJA-NRGSMNHXSA-N 0 0 446.507 1.142 50 0 biogenic IDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@@H](CO)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968279 568861284 /nfs/dbraw/zinc/86/12/84/568861284.db2.gz LPHFXVHCLFLXOK-DDOIHHOZSA-N 0 0 439.899 1.604 50 0 biogenic IDAARN COc1cccc(N2C[C@H](C(=O)NC3CCN(c4nccn5c(C)nnc45)CC3)CC2=O)c1 ZINC000575414962 568862566 /nfs/dbraw/zinc/86/25/66/568862566.db2.gz UBZQHEBYSFDBRV-MRXNPFEDSA-N 0 0 449.515 1.579 50 0 IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016033014 568867607 /nfs/dbraw/zinc/86/76/07/568867607.db2.gz XJBNWBJVVISKKM-XVIHEJCXSA-N 0 0 446.507 1.088 50 0 biogenic IDAARN Nc1nc(COC(=O)c2nn(CCO)c(=O)c3ccccc32)nc(Nc2ccccc2)n1 ZINC000016047006 568868808 /nfs/dbraw/zinc/86/88/08/568868808.db2.gz BCJXKMLRDUDLGO-UHFFFAOYSA-N 0 0 433.428 1.257 50 0 IDAARN COC(=O)c1ccc2c(c1)nc(CN1CCN(C(=O)c3ccc(OC)cc3)CC1)[nH]c2=O ZINC000012949095 568871594 /nfs/dbraw/zinc/87/15/94/568871594.db2.gz KCFDDIPKYDNIIV-UHFFFAOYSA-N 0 0 436.468 1.676 50 0 IDAARN O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012949123 568871769 /nfs/dbraw/zinc/87/17/69/568871769.db2.gz MZYLGJDNGVMRKN-UHFFFAOYSA-N 0 0 439.453 1.502 50 0 IDAARN O=C(CSc1nnc(N2CCOCC2)n1C1CC1)N1CCN(Cc2ccccc2)CC1 ZINC000026423699 568877411 /nfs/dbraw/zinc/87/74/11/568877411.db2.gz VZZCXFSYGPVPBS-UHFFFAOYSA-N 0 0 442.589 1.886 50 0 IDAARN CN(C)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)nc(N2CCOCC2)n1 ZINC000575605531 568877986 /nfs/dbraw/zinc/87/79/86/568877986.db2.gz BRBYLTWIAHCAFH-UHFFFAOYSA-N 0 0 447.348 1.560 50 0 IDAARN Cc1c(Cl)cccc1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCOCC2)n1 ZINC000575605749 568878018 /nfs/dbraw/zinc/87/80/18/568878018.db2.gz DZNNFMOPKORRJQ-UHFFFAOYSA-N 0 0 426.930 1.215 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)C2CN(c3cc(-n4nc(C)cc4C)ncn3)C2)n1 ZINC000575607414 568878247 /nfs/dbraw/zinc/87/82/47/568878247.db2.gz CIRHAQNIYQBVDB-UHFFFAOYSA-N 0 0 441.517 1.916 50 0 IDAARN O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(Br)o1 ZINC000575607369 568878248 /nfs/dbraw/zinc/87/82/48/568878248.db2.gz STGVSJULOUJLPG-UHFFFAOYSA-N 0 0 437.298 1.594 50 0 IDAARN Cc1c(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cnn1-c1ccccc1 ZINC000575607364 568878257 /nfs/dbraw/zinc/87/82/57/568878257.db2.gz MLCPMDDBHYIVNL-UHFFFAOYSA-N 0 0 448.531 1.733 50 0 IDAARN O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000575608876 568878698 /nfs/dbraw/zinc/87/86/98/568878698.db2.gz WBKRRKCWOBKTQU-RHSMWYFYSA-N 0 0 426.560 1.464 50 0 IDAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NC2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000575609241 568878800 /nfs/dbraw/zinc/87/88/00/568878800.db2.gz RXMHDXWSZWAEDG-SFHVURJKSA-N 0 0 442.603 1.179 50 0 IDAARN COc1ccc(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)c(OC)c1OC ZINC000575610814 568879046 /nfs/dbraw/zinc/87/90/46/568879046.db2.gz BLTHIJNPKPMYOR-UHFFFAOYSA-N 0 0 439.465 1.783 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O ZINC000575612095 568879146 /nfs/dbraw/zinc/87/91/46/568879146.db2.gz KFUMPFPZYWJJCP-UHFFFAOYSA-N 0 0 449.507 1.153 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H](Oc2ncccn2)C1 ZINC000575613120 568879526 /nfs/dbraw/zinc/87/95/26/568879526.db2.gz PAZHFZDNVCYOCB-KRWDZBQOSA-N 0 0 432.502 1.181 50 0 IDAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O ZINC000575613827 568879787 /nfs/dbraw/zinc/87/97/87/568879787.db2.gz WEXBTADQNYTQOM-LBPRGKRZSA-N 0 0 437.449 1.639 50 0 IDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000006237869 568880685 /nfs/dbraw/zinc/88/06/85/568880685.db2.gz UMYRZFUHCXVESU-OXRZLYTFSA-N 0 0 438.461 1.927 50 0 IDAARN COc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl ZINC000575616008 568881448 /nfs/dbraw/zinc/88/14/48/568881448.db2.gz NFVGNAOCLZJFEY-UHFFFAOYSA-N 0 0 425.960 1.145 50 0 IDAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000575616619 568881513 /nfs/dbraw/zinc/88/15/13/568881513.db2.gz UBCNNOWCEXLJJA-UHFFFAOYSA-N 0 0 446.595 1.078 50 0 IDAARN CCOc1ccc(S(=O)(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)cc1F ZINC000575617746 568881797 /nfs/dbraw/zinc/88/17/97/568881797.db2.gz QXFQFUSVMZSUPG-UHFFFAOYSA-N 0 0 434.497 1.918 50 0 IDAARN CCn1ccc2ccn(CCNS(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)c(=O)c21 ZINC000575618997 568882584 /nfs/dbraw/zinc/88/25/84/568882584.db2.gz YSLOVRKWCVQCAC-UHFFFAOYSA-N 0 0 440.525 1.637 50 0 IDAARN Cn1cc(-c2nccnc2CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 ZINC000575621219 568883226 /nfs/dbraw/zinc/88/32/26/568883226.db2.gz ZPRCDFLTOPWHBY-UHFFFAOYSA-N 0 0 426.502 1.592 50 0 IDAARN Cc1cc(O)c(Cc2c(O)cc(C)n(C[C@H]3CCCO3)c2=O)c(=O)n1C[C@H]1CCCO1 ZINC000010217790 568884347 /nfs/dbraw/zinc/88/43/47/568884347.db2.gz XIUYHNYPKYOZQZ-IAGOWNOFSA-N 0 0 430.501 1.987 50 0 IDAARN COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1 ZINC000229381731 568886609 /nfs/dbraw/zinc/88/66/09/568886609.db2.gz ANSXJSKGSIRSQD-RCBQFDQVSA-N 0 0 447.351 1.068 50 0 IDAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000229823447 568887089 /nfs/dbraw/zinc/88/70/89/568887089.db2.gz XLFMQWRYWBHHCP-FVQBIDKESA-N 0 0 430.892 1.863 50 0 IDAARN COc1ccc(Br)c(C(=O)NCCn2nc(-c3ccccn3)n(C)c2=O)c1 ZINC000090591012 568888550 /nfs/dbraw/zinc/88/85/50/568888550.db2.gz OTLDYQWEQXAXOE-UHFFFAOYSA-N 0 0 432.278 1.845 50 0 IDAARN O=C(COc1ccc(-n2cccn2)nn1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000090607744 568890148 /nfs/dbraw/zinc/89/01/48/568890148.db2.gz HQQRWPUBWHVMRB-UHFFFAOYSA-N 0 0 449.519 1.170 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)cc1 ZINC000090610291 568892217 /nfs/dbraw/zinc/89/22/17/568892217.db2.gz HTPYKALRYBDPMD-UHFFFAOYSA-N 0 0 448.589 1.590 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@@H](C(=O)OC)[C@@H]3C2=O)cc1 ZINC000137870012 568893863 /nfs/dbraw/zinc/89/38/63/568893863.db2.gz OGHTWSBACFWVHF-GMXVVIOVSA-N 0 0 448.478 1.946 50 0 IDAARN Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1 ZINC000035655386 568894299 /nfs/dbraw/zinc/89/42/99/568894299.db2.gz YOSUHIXVPGGTIN-UHFFFAOYSA-N 0 0 433.516 1.699 50 0 IDAARN Cc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)n1 ZINC000012983408 568895266 /nfs/dbraw/zinc/89/52/66/568895266.db2.gz NUQCVUJNDPVEMU-NRFANRHFSA-N 0 0 430.428 1.988 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C(N)=O ZINC000013002026 568898294 /nfs/dbraw/zinc/89/82/94/568898294.db2.gz DEVNTCKJGVUPNN-UHFFFAOYSA-N 0 0 445.328 1.578 50 0 IDAARN C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000013009808 568899859 /nfs/dbraw/zinc/89/98/59/568899859.db2.gz VPEOLPAJLOQGEF-LLVKDONJSA-N 0 0 435.333 1.240 50 0 IDAARN COc1ccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000013016570 568901595 /nfs/dbraw/zinc/90/15/95/568901595.db2.gz PUCCJRVUXLHXHX-MRXNPFEDSA-N 0 0 435.521 1.846 50 0 IDAARN COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Br)cc1 ZINC000006444921 568907243 /nfs/dbraw/zinc/90/72/43/568907243.db2.gz OXXWXEYCXLDZNS-UHFFFAOYSA-N 0 0 436.310 1.693 50 0 IDAARN O=C(CN1c2ccccc2C2(OCCO2)C1=O)CN1c2ccccc2C2(OCCO2)C1=O ZINC000001785009 568907430 /nfs/dbraw/zinc/90/74/30/568907430.db2.gz IQPNVBPLBSLWRD-UHFFFAOYSA-N 0 0 436.420 1.048 50 0 IDAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1cccnc1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3cccnc3)C(=O)[C@@H]21 ZINC000239378408 568911427 /nfs/dbraw/zinc/91/14/27/568911427.db2.gz OROWPZZWTYLNEV-XETNVZRVSA-N 0 0 428.448 1.195 50 0 IDAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)C(C)C)cc1 ZINC000240756970 568911972 /nfs/dbraw/zinc/91/19/72/568911972.db2.gz HVSCCXLPZWQVBW-YHEJKZAPSA-N 0 0 430.505 1.286 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C2)c(=O)[nH]c1=O ZINC000242183890 568912606 /nfs/dbraw/zinc/91/26/06/568912606.db2.gz XCTBDAMNTWAMOW-KLHDSHLOSA-N 0 0 433.553 1.967 50 0 IDAARN CNC(=O)[C@H]1CN(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc2O1 ZINC000242389370 568912755 /nfs/dbraw/zinc/91/27/55/568912755.db2.gz ZWPMVOUAYOEALF-FXAWDEMLSA-N 0 0 443.525 1.220 50 0 IDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000242346938 568912766 /nfs/dbraw/zinc/91/27/66/568912766.db2.gz ZKJANBXPNILKEK-GJYPPUQNSA-N 0 0 438.546 1.948 50 0 IDAARN NC(=O)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000245247193 568913500 /nfs/dbraw/zinc/91/35/00/568913500.db2.gz RFKOLPRGCFYIKK-MGPQRACWSA-N 0 0 440.459 1.640 50 0 IDAARN 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COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cl)cc2)cn1C ZINC000064818928 568965676 /nfs/dbraw/zinc/96/56/76/568965676.db2.gz IMXUQZIOWCHDLF-INIZCTEOSA-N 0 0 439.921 1.935 50 0 IDAARN Cc1onc2c1c(C)nn(CC(=O)NCCN1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000064842297 568970708 /nfs/dbraw/zinc/97/07/08/568970708.db2.gz GYQFXEOLGKDYHI-UHFFFAOYSA-N 0 0 444.923 1.593 50 0 IDAARN CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC[C@@H](O)CO ZINC000064857601 568972183 /nfs/dbraw/zinc/97/21/83/568972183.db2.gz NWKPOVHSHWJQNI-ARRZLIFOSA-N 0 0 428.566 1.855 50 0 in-vitro IDAARN COCCN(Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1)C[C@H](O)COCC(C)C ZINC000036206912 568972686 /nfs/dbraw/zinc/97/26/86/568972686.db2.gz HARYJNJEEIBFCC-AWEZNQCLSA-N 0 0 441.550 1.562 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036210234 568974621 /nfs/dbraw/zinc/97/46/21/568974621.db2.gz GUJIKTUVTIKISV-NRFANRHFSA-N 0 0 433.549 1.841 50 0 IDAARN 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CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000036250373 568983797 /nfs/dbraw/zinc/98/37/97/568983797.db2.gz FWJQISXMNQQVPP-QFIPXVFZSA-N 0 0 444.551 1.833 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)s1)N1CCOCC1 ZINC000064919860 568985413 /nfs/dbraw/zinc/98/54/13/568985413.db2.gz MGJUDQDSJLGURC-UHFFFAOYSA-N 0 0 441.619 1.788 50 0 IDAARN CCn1c(=O)cc(C(=O)Nc2ccc(OC)c(Cl)c2)c2c(=O)n(CC)c(=O)n(C)c21 ZINC000064925897 568986530 /nfs/dbraw/zinc/98/65/30/568986530.db2.gz VUGZONIANVTSBA-UHFFFAOYSA-N 0 0 432.864 1.816 50 0 IDAARN COC(=O)[C@@H](C)NC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926136 568987002 /nfs/dbraw/zinc/98/70/02/568987002.db2.gz CYLHWFSEAVPABA-QGZVFWFLSA-N 0 0 449.511 1.838 50 0 IDAARN COc1cccc(NC(=O)Cn2nc3ccc(S(=O)(=O)c4ccccc4)nn3c2=O)c1 ZINC000064942718 568992208 /nfs/dbraw/zinc/99/22/08/568992208.db2.gz FWUVTEJNSKOWFB-UHFFFAOYSA-N 0 0 439.453 1.371 50 0 IDAARN CC[C@@H](C)NC(=O)Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O ZINC000064943307 568992452 /nfs/dbraw/zinc/99/24/52/568992452.db2.gz UNWRRUJOHHVKIC-LLVKDONJSA-N 0 0 428.308 1.753 50 0 IDAARN CCCN1C(=O)c2c(C(=O)NCc3cccnc3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064953619 568997653 /nfs/dbraw/zinc/99/76/53/568997653.db2.gz CANPFJJAFWYBOD-QHCPKHFHSA-N 0 0 438.532 1.891 50 0 IDAARN C[C@@]1(C(=O)NC2CCCC2)Cn2cnc(C(=O)NCCc3ccco3)c2C(=O)N1C1CC1 ZINC000064954516 568997858 /nfs/dbraw/zinc/99/78/58/568997858.db2.gz RFXMKGVWQRBOLI-QHCPKHFHSA-N 0 0 439.516 1.884 50 0 IDAARN COCCNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3cc(F)ccc3F)c2C(=O)N1C1CC1 ZINC000064954607 568997929 /nfs/dbraw/zinc/99/79/29/568997929.db2.gz QIINRMBFPOBVHE-OAQYLSRUSA-N 0 0 447.442 1.553 50 0 IDAARN COc1ccc(-c2nc3c(c(C(N)=O)n2)n(C)c(=O)n3-c2ccc3c(c2)OCO3)c(OC)c1 ZINC000064965785 569000972 /nfs/dbraw/zinc/00/09/72/569000972.db2.gz VNMAHCKYZHNLNT-UHFFFAOYSA-N 0 0 449.423 1.631 50 0 IDAARN Cc1ccc(C)c(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)n(C)c3=O)CC2)c1 ZINC000064966985 569001618 /nfs/dbraw/zinc/00/16/18/569001618.db2.gz 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CCOC(=O)N1CCC(NC(=O)c2nn(-c3ccc(C)cc3)c3c2ncn(C)c3=O)CC1 ZINC000064998349 569085100 /nfs/dbraw/zinc/08/51/00/569085100.db2.gz IEGPYYKXWRTMIN-UHFFFAOYSA-N 0 0 438.488 1.778 50 0 IDAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1OC ZINC000036358740 569085276 /nfs/dbraw/zinc/08/52/76/569085276.db2.gz UCKXMEKCBVDBCY-CQSZACIVSA-N 0 0 447.513 1.946 50 0 IDAARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)n1 ZINC000036364812 569086651 /nfs/dbraw/zinc/08/66/51/569086651.db2.gz PLIYQMQMRFXRHN-INIZCTEOSA-N 0 0 444.513 1.403 50 0 IDAARN Cc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000036365745 569087007 /nfs/dbraw/zinc/08/70/07/569087007.db2.gz CLVLBDPVXGNQFJ-UHFFFAOYSA-N 0 0 441.510 1.237 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4cccnc4)CC3)cc2sc1=O ZINC000065021990 569089098 /nfs/dbraw/zinc/08/90/98/569089098.db2.gz UTTRPUBKXACGQU-UHFFFAOYSA-N 0 0 446.554 1.712 50 0 IDAARN CCn1c(N2CCC[C@@H](C(=O)NCc3cc(OC)cc(OC)c3)C2)cc(=O)n(C)c1=O ZINC000065024023 569089449 /nfs/dbraw/zinc/08/94/49/569089449.db2.gz SDGRATCLINRJIZ-MRXNPFEDSA-N 0 0 430.505 1.117 50 0 IDAARN CCN(CC)C(=O)c1cc([N-]S(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025329 569090623 /nfs/dbraw/zinc/09/06/23/569090623.db2.gz UHASDDMTDVDNGL-UHFFFAOYSA-N 0 0 447.561 1.783 50 0 IDAARN COc1cccc(CNC(=O)NCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000065029921 569091223 /nfs/dbraw/zinc/09/12/23/569091223.db2.gz RDYRGBUAHFBPMV-UHFFFAOYSA-N 0 0 432.506 1.190 50 0 IDAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)NCCc1ccccc1 ZINC000065030001 569091267 /nfs/dbraw/zinc/09/12/67/569091267.db2.gz FTQMZBAGZPNKPD-UHFFFAOYSA-N 0 0 430.534 1.660 50 0 IDAARN CCn1c2c(ccn2CC(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)n(CC)c1=O ZINC000065030839 569091326 /nfs/dbraw/zinc/09/13/26/569091326.db2.gz VUAWIZDFFGVQJN-UHFFFAOYSA-N 0 0 437.544 1.970 50 0 IDAARN Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)Cc4cccs4)CC3)ccc21 ZINC000065032617 569091573 /nfs/dbraw/zinc/09/15/73/569091573.db2.gz VBQNKERXCLGFAL-UHFFFAOYSA-N 0 0 437.568 1.737 50 0 IDAARN Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)ccc21 ZINC000065032676 569091602 /nfs/dbraw/zinc/09/16/02/569091602.db2.gz BTBMJZUQTQEVRM-UHFFFAOYSA-N 0 0 435.502 1.886 50 0 IDAARN COc1cccc(CNC(=O)Cn2c(=O)c3cnc(-c4ccc(C)cc4)nc3n(C)c2=O)c1 ZINC000065057215 569095075 /nfs/dbraw/zinc/09/50/75/569095075.db2.gz ZYSQSNLKNGOQPZ-UHFFFAOYSA-N 0 0 445.479 1.791 50 0 IDAARN Cc1ccc(-c2ncc3c(=O)n(CC(=O)NCc4cccc(F)c4)c(=O)n(C)c3n2)cc1 ZINC000065057234 569095175 /nfs/dbraw/zinc/09/51/75/569095175.db2.gz BSRUWHUMNSIMMJ-UHFFFAOYSA-N 0 0 433.443 1.921 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCCCN2CCCC2=O)CC1 ZINC000065061455 569096449 /nfs/dbraw/zinc/09/64/49/569096449.db2.gz ITDWFGJUGPZQNW-CQSZACIVSA-N 0 0 440.566 1.457 50 0 IDAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000065075772 569099705 /nfs/dbraw/zinc/09/97/05/569099705.db2.gz HFEVMMZIQDBCMF-HNNXBMFYSA-N 0 0 445.497 1.432 50 0 IDAARN Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000065075755 569099732 /nfs/dbraw/zinc/09/97/32/569099732.db2.gz PXCOYTBIXMVRRU-JXMROGBWSA-N 0 0 441.509 1.986 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)C4(c5ccccc5)CC4)CC3)cc2oc1=O ZINC000065075771 569099741 /nfs/dbraw/zinc/09/97/41/569099741.db2.gz XPZAQGHMEQKIBH-UHFFFAOYSA-N 0 0 441.509 1.696 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c(C)c1 ZINC000065075767 569099770 /nfs/dbraw/zinc/09/97/70/569099770.db2.gz NSYJWLWFPLEZOO-UHFFFAOYSA-N 0 0 429.498 1.895 50 0 IDAARN CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)Cc4cccc(F)c4)CC3)ccc21 ZINC000065075854 569099902 /nfs/dbraw/zinc/09/99/02/569099902.db2.gz VWELPQDCSGTNJF-UHFFFAOYSA-N 0 0 447.488 1.829 50 0 IDAARN C[C@@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000036398092 569101102 /nfs/dbraw/zinc/10/11/02/569101102.db2.gz COKHTYQNUPHFRN-MRXNPFEDSA-N 0 0 432.546 1.727 50 0 IDAARN Cc1cn2nc(C(=O)N3CCC(NC(=O)Cc4ccccc4Cl)CC3)cc2c(=O)[nH]1 ZINC000169777004 569102292 /nfs/dbraw/zinc/10/22/92/569102292.db2.gz PIKGEXIUMDFOAJ-UHFFFAOYSA-N 0 0 427.892 1.948 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)N4CCOCC4)CC3)ccc21 ZINC000065085690 569103160 /nfs/dbraw/zinc/10/31/60/569103160.db2.gz ZYUTYYKRRJGQBI-UHFFFAOYSA-N 0 0 435.546 1.245 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)NC[C@@H]4CCCO4)CC3)ccc21 ZINC000065085633 569103181 /nfs/dbraw/zinc/10/31/81/569103181.db2.gz GEQGXHGREGGQEM-IBGZPJMESA-N 0 0 449.573 1.682 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000036408690 569103405 /nfs/dbraw/zinc/10/34/05/569103405.db2.gz UUUMJZOMMSLGIZ-UHFFFAOYSA-N 0 0 445.541 1.655 50 0 IDAARN CC[C@H](C)NC(=O)Cn1cnc2nc(N3CCC(C(=O)NC(C)C)CC3)sc2c1=O ZINC000065101281 569105658 /nfs/dbraw/zinc/10/56/58/569105658.db2.gz CFLFDKZMNPSWII-ZDUSSCGKSA-N 0 0 434.566 1.509 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)cc4)c(=O)c3s2)CC1 ZINC000065101023 569105668 /nfs/dbraw/zinc/10/56/68/569105668.db2.gz SDQYKCLGVXQMNP-UHFFFAOYSA-N 0 0 440.529 1.763 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC)c2=O)cc1 ZINC000065101559 569105843 /nfs/dbraw/zinc/10/58/43/569105843.db2.gz PTYFOPOBIGCXDJ-UHFFFAOYSA-N 0 0 436.468 1.891 50 0 IDAARN COc1ccc(S(=O)(=O)CCc2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000065117618 569107975 /nfs/dbraw/zinc/10/79/75/569107975.db2.gz WEFIJKFRTKFDBM-UHFFFAOYSA-N 0 0 445.453 1.753 50 0 IDAARN C[C@@H]1CN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccccc2Cl)NC(=O)N3C)C[C@H](C)O1 ZINC000169793400 569108213 /nfs/dbraw/zinc/10/82/13/569108213.db2.gz PCBOQOSZKAYXIP-QHRIQVFBSA-N 0 0 432.908 1.768 50 0 IDAARN O=C(Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2)NCc1ccccc1Br ZINC000065132737 569109847 /nfs/dbraw/zinc/10/98/47/569109847.db2.gz GFXMMLJEHFDORE-UHFFFAOYSA-N 0 0 449.330 1.923 50 0 IDAARN CC(C)n1c2ccc(S(=O)(=O)N3CCCC3)cc2n(CC(=O)N2CCOCC2)c1=O ZINC000065138118 569110555 /nfs/dbraw/zinc/11/05/55/569110555.db2.gz IYLJTNVBIAKFHE-UHFFFAOYSA-N 0 0 436.534 1.027 50 0 IDAARN COc1cc(NC(=O)Cn2nc3c(N4CCSCC4)nccn3c2=O)cc(OC)c1 ZINC000065151594 569111291 /nfs/dbraw/zinc/11/12/91/569111291.db2.gz ZPYLCCUMSDLQAG-UHFFFAOYSA-N 0 0 430.490 1.100 50 0 IDAARN O=C(C1CC1)N1CCc2sc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1 ZINC000065196230 569115675 /nfs/dbraw/zinc/11/56/75/569115675.db2.gz BTMNGRUDMHKJNQ-UHFFFAOYSA-N 0 0 432.571 1.949 50 0 IDAARN COc1ccc(-n2c3ncc(C(=O)Nc4ccccc4C(N)=O)cc3c(=O)n(C)c2=O)cc1 ZINC000065197112 569115868 /nfs/dbraw/zinc/11/58/68/569115868.db2.gz IQWQCOSUZVOULV-UHFFFAOYSA-N 0 0 445.435 1.444 50 0 IDAARN CC(=O)Nc1ccc(C(=O)N2C[C@@H]3CN(S(=O)(=O)c4cccc(F)c4)C[C@H](C2)O3)cc1 ZINC000065225140 569117717 /nfs/dbraw/zinc/11/77/17/569117717.db2.gz ICJXSICTZQXCCX-KDURUIRLSA-N 0 0 447.488 1.698 50 0 IDAARN O=C(C1CCN(c2cncnc2N2CCOCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000065226738 569118018 /nfs/dbraw/zinc/11/80/18/569118018.db2.gz BLSZRJNLSHJRKW-UHFFFAOYSA-N 0 0 436.560 1.878 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000036569398 569118569 /nfs/dbraw/zinc/11/85/69/569118569.db2.gz FTOXAXKTNVVVJE-VQIMIIECSA-N 0 0 448.451 1.709 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(F)ccc1F)C(=O)OC ZINC000036569346 569118616 /nfs/dbraw/zinc/11/86/16/569118616.db2.gz YFZDEDFEWYXBAY-QAPCUYQASA-N 0 0 436.415 1.840 50 0 IDAARN COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000036569331 569118622 /nfs/dbraw/zinc/11/86/22/569118622.db2.gz OWIXSENYGDBBLU-PBHICJAKSA-N 0 0 438.843 1.964 50 0 IDAARN Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCN(C)CC5)n4)ccn3n2)cc1C ZINC000065235832 569119389 /nfs/dbraw/zinc/11/93/89/569119389.db2.gz SOJDCDVUYLEFPO-UHFFFAOYSA-N 0 0 433.516 1.959 50 0 IDAARN O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCN(c2ccccc2)CC1 ZINC000065236972 569119555 /nfs/dbraw/zinc/11/95/55/569119555.db2.gz XWHBBPZHRUKVBI-UHFFFAOYSA-N 0 0 436.560 1.878 50 0 IDAARN COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000036579815 569119587 /nfs/dbraw/zinc/11/95/87/569119587.db2.gz JVLAOMGRSXSNLH-PBHICJAKSA-N 0 0 438.843 1.964 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O)Nc1ccc2c(c1)OCCO2 ZINC000065237397 569119758 /nfs/dbraw/zinc/11/97/58/569119758.db2.gz DSFLCZFHBXITMB-UHFFFAOYSA-N 0 0 433.486 1.433 50 0 IDAARN CCOC(=O)C1CCN(C(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)CC1 ZINC000065240008 569120706 /nfs/dbraw/zinc/12/07/06/569120706.db2.gz RBQWKILGJWVKDD-UHFFFAOYSA-N 0 0 430.534 1.631 50 0 IDAARN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)C1)C(=O)N2C ZINC000065249427 569122058 /nfs/dbraw/zinc/12/20/58/569122058.db2.gz NMCROHMEGKBACF-QFIPXVFZSA-N 0 0 441.509 1.523 50 0 biogenic IDAARN CC[NH+]1CCN(Cc2ccc([N-]S(=O)(=O)c3cc4n(c3)CCCN(C)C4=O)cc2)CC1 ZINC000065258750 569124591 /nfs/dbraw/zinc/12/45/91/569124591.db2.gz WTJKIOUXUVEEEU-UHFFFAOYSA-N 0 0 445.589 1.902 50 0 IDAARN CCN1CCCn2cc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)cc2C1=O ZINC000065258787 569124737 /nfs/dbraw/zinc/12/47/37/569124737.db2.gz GIFGBVMUZJOKLY-UHFFFAOYSA-N 0 0 432.546 1.873 50 0 IDAARN CCc1nn2c(nc(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)cc2=O)s1 ZINC000013127964 569125270 /nfs/dbraw/zinc/12/52/70/569125270.db2.gz FPDDGVXNTOOQHV-VIFPVBQESA-N 0 0 427.533 1.366 50 0 IDAARN COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524730021 569125907 /nfs/dbraw/zinc/12/59/07/569125907.db2.gz RLEFMLGVDJMLTI-INIZCTEOSA-N 0 0 446.456 1.029 50 0 biogenic IDAARN COc1cc([C@H](CC(=O)NCCN2CCCC2=O)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731531 569126604 /nfs/dbraw/zinc/12/66/04/569126604.db2.gz BBVPYKDGHMKHNP-HNNXBMFYSA-N 0 0 430.457 1.629 50 0 biogenic IDAARN COc1ccc(N2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)C2=O)cc1 ZINC000524732112 569126719 /nfs/dbraw/zinc/12/67/19/569126719.db2.gz XVKQDGKHTCBIAM-PDWMJMLSSA-N 0 0 440.500 1.370 50 0 biogenic IDAARN Cn1c(C(=O)NCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc2ccccc21 ZINC000524732547 569127427 /nfs/dbraw/zinc/12/74/27/569127427.db2.gz OUTJRQWSVYAHKN-KRWDZBQOSA-N 0 0 433.468 1.165 50 0 IDAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000065270895 569127571 /nfs/dbraw/zinc/12/75/71/569127571.db2.gz XNOMASOZTLDRNV-UHFFFAOYSA-N 0 0 449.486 1.899 50 0 IDAARN COc1cc([C@H](c2n(C)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc(OC)c1O ZINC000524733830 569128006 /nfs/dbraw/zinc/12/80/06/569128006.db2.gz SVNOSLVVVVKVNP-HNNXBMFYSA-N 0 0 434.445 1.582 50 0 IDAARN CCN1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)CC1 ZINC000065273803 569128245 /nfs/dbraw/zinc/12/82/45/569128245.db2.gz HQJVNPREKRZQEY-KRWDZBQOSA-N 0 0 433.622 1.717 50 0 IDAARN CCN1CCN(C(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)CC1 ZINC000065273802 569128253 /nfs/dbraw/zinc/12/82/53/569128253.db2.gz HQJVNPREKRZQEY-QGZVFWFLSA-N 0 0 433.622 1.717 50 0 IDAARN C=C1C(N2CCC(NC(=O)NCC(=O)OCC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271795 569128636 /nfs/dbraw/zinc/12/86/36/569128636.db2.gz CHOPRPSSSGZFDR-UHFFFAOYSA-N 0 0 448.545 1.795 50 0 IDAARN C=C1C(N2CCCN(C(=O)N[C@H](C)C(=O)OC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271903 569128682 /nfs/dbraw/zinc/12/86/82/569128682.db2.gz VDUNPAUWVMLTNO-MRXNPFEDSA-N 0 0 448.545 1.747 50 0 IDAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCN(c2nc3ccncc3n(C)c2=O)CC1 ZINC000065292723 569130704 /nfs/dbraw/zinc/13/07/04/569130704.db2.gz PIXYIGDHYPDROD-UHFFFAOYSA-N 0 0 433.921 1.801 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCC[C@H](C)C4)ccn3c2=O)cc1OC ZINC000065307976 569132591 /nfs/dbraw/zinc/13/25/91/569132591.db2.gz NDMVWFNOAUAWND-AWEZNQCLSA-N 0 0 426.477 1.783 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCC[C@@H](C)C4)ccn3c2=O)c(OC)c1 ZINC000065307973 569132699 /nfs/dbraw/zinc/13/26/99/569132699.db2.gz PUGJTUCQNOCEAN-CQSZACIVSA-N 0 0 426.477 1.783 50 0 IDAARN Cn1nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c2c1NC(=O)C[C@H]2c1cccs1 ZINC000036705632 569134408 /nfs/dbraw/zinc/13/44/08/569134408.db2.gz HVRHKKNJPYMIDU-LBPRGKRZSA-N 0 0 437.547 1.566 50 0 IDAARN O=C(NCCCN1CCCC1=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314212 569135544 /nfs/dbraw/zinc/13/55/44/569135544.db2.gz NNFQLMQNQYJZKN-HXUWFJFHSA-N 0 0 437.544 1.637 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2c(C)[nH]c(=O)[nH]c2=O)o1 ZINC000036708467 569135925 /nfs/dbraw/zinc/13/59/25/569135925.db2.gz NMTLIGOIOQCARE-UHFFFAOYSA-N 0 0 445.457 1.253 50 0 IDAARN CCOC(=O)CNC(=O)CSc1nc2c(cnn2Cc2cccc(Cl)c2)c(=O)[nH]1 ZINC000036712361 569137321 /nfs/dbraw/zinc/13/73/21/569137321.db2.gz RVWNHWKJCKZBJQ-UHFFFAOYSA-N 0 0 435.893 1.593 50 0 IDAARN CCOC(=O)c1cc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc(C(=O)OCC)c1 ZINC000036813863 569138223 /nfs/dbraw/zinc/13/82/23/569138223.db2.gz ZLJIGIZCFKGSPP-MRXNPFEDSA-N 0 0 426.491 1.793 50 0 IDAARN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)NCCCc3c[nH]nc3C)c2)CC1 ZINC000065566907 569139241 /nfs/dbraw/zinc/13/92/41/569139241.db2.gz OSGSDTZRKYUWSJ-UHFFFAOYSA-N 0 0 434.566 1.799 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)NCCN3c4ccccc4N(C)S3(=O)=O)CC2=O)cc1C ZINC000239611733 569139727 /nfs/dbraw/zinc/13/97/27/569139727.db2.gz FCLRXIMZYHUZMC-QGZVFWFLSA-N 0 0 442.541 1.974 50 0 IDAARN O=C(c1cc2n(n1)CCCC2)N1CCN(S(=O)(=O)Cc2noc3ccccc32)CC1 ZINC000239808035 569140072 /nfs/dbraw/zinc/14/00/72/569140072.db2.gz KEWZYZXSZBJPHA-UHFFFAOYSA-N 0 0 429.502 1.648 50 0 IDAARN Cc1nn(CCO)c2ncc(C(=O)OCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc12 ZINC000065614685 569140312 /nfs/dbraw/zinc/14/03/12/569140312.db2.gz SJPPRCSEGRUBOD-UHFFFAOYSA-N 0 0 448.501 1.218 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cc1C(N)=O ZINC000240067747 569140541 /nfs/dbraw/zinc/14/05/41/569140541.db2.gz SAMOJYQCFUMYDA-INIZCTEOSA-N 0 0 425.532 1.456 50 0 IDAARN CC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O ZINC000037210483 569140905 /nfs/dbraw/zinc/14/09/05/569140905.db2.gz FEYOJZLQSVQKAN-VGOFRKELSA-N 0 0 443.504 1.018 50 0 IDAARN CCN(CCC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170591768 569140956 /nfs/dbraw/zinc/14/09/56/569140956.db2.gz CKUJFLKQVIRCOB-FUHWJXTLSA-N 0 0 443.548 1.196 50 0 IDAARN Cn1cc(N2CCC[C@@H](N3CCN(C(=O)C4(c5ccc(F)cc5)CC4)CC3)C2=O)cn1 ZINC000170593266 569141137 /nfs/dbraw/zinc/14/11/37/569141137.db2.gz QQENLLDNSOXYTL-HXUWFJFHSA-N 0 0 425.508 1.931 50 0 IDAARN COC(=O)C[C@]1(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CCOC1 ZINC000170596762 569141794 /nfs/dbraw/zinc/14/17/94/569141794.db2.gz KVSJUDUXXFDPIX-HTAPYJJXSA-N 0 0 431.489 1.801 50 0 IDAARN COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000170596388 569141900 /nfs/dbraw/zinc/14/19/00/569141900.db2.gz AUUXOZJFNJBRNP-RYUDHWBXSA-N 0 0 441.369 1.596 50 0 IDAARN COC(=O)Cn1ncc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1C ZINC000170599134 569142472 /nfs/dbraw/zinc/14/24/72/569142472.db2.gz BCXZLEIRKDOZQP-OAHLLOKOSA-N 0 0 436.490 1.074 50 0 IDAARN COC(=O)C[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1ccncc1 ZINC000170600781 569142997 /nfs/dbraw/zinc/14/29/97/569142997.db2.gz CTPBXDPKSRIBEX-HXUWFJFHSA-N 0 0 435.477 1.870 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(c2cnc(NC(=O)CCN3C(=O)CCC3=O)cn2)CC1 ZINC000170610480 569144903 /nfs/dbraw/zinc/14/49/03/569144903.db2.gz GNMFPGZTRQEHHQ-UHFFFAOYSA-N 0 0 432.481 1.011 50 0 IDAARN O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC(=O)N(CC(F)(F)F)C1 ZINC000170612159 569145951 /nfs/dbraw/zinc/14/59/51/569145951.db2.gz BZXUCTYINJVQDR-UHFFFAOYSA-N 0 0 436.184 1.365 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000170624385 569148036 /nfs/dbraw/zinc/14/80/36/569148036.db2.gz GNBNDDRJJDVEQW-MRXNPFEDSA-N 0 0 427.505 1.036 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n1 ZINC000170625584 569148536 /nfs/dbraw/zinc/14/85/36/569148536.db2.gz GATDIUXNXWOFIB-AWEZNQCLSA-N 0 0 434.449 1.837 50 0 IDAARN COc1ccc(C(=O)NCc2nnc3ccccn32)cc1S(=O)(=O)NC1CCCC1 ZINC000009883540 569150092 /nfs/dbraw/zinc/15/00/92/569150092.db2.gz FSRTVLVHVPPKNL-UHFFFAOYSA-N 0 0 429.502 1.889 50 0 IDAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)c3cccs3)CC1)C2=O ZINC000009909672 569150360 /nfs/dbraw/zinc/15/03/60/569150360.db2.gz KZVKWNKFHSCZPY-UHFFFAOYSA-N 0 0 432.546 1.923 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009995984 569151379 /nfs/dbraw/zinc/15/13/79/569151379.db2.gz GMUQBDDWFDUKPQ-UHFFFAOYSA-N 0 0 432.502 1.080 50 0 IDAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)NCc1ccc2c(c1)OCO2 ZINC000009995998 569151416 /nfs/dbraw/zinc/15/14/16/569151416.db2.gz OHAKNWIKYJIWCA-LBPRGKRZSA-N 0 0 425.488 1.184 50 0 IDAARN COc1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000010216302 569153138 /nfs/dbraw/zinc/15/31/38/569153138.db2.gz RWUKRJRFNNMUNU-UHFFFAOYSA-N 0 0 430.486 1.689 50 0 IDAARN CCc1nnc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000010216949 569153228 /nfs/dbraw/zinc/15/32/28/569153228.db2.gz GWSVZWHLYIPTKL-UHFFFAOYSA-N 0 0 448.574 1.975 50 0 IDAARN COc1ccc(CCNC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000010217065 569153249 /nfs/dbraw/zinc/15/32/49/569153249.db2.gz HNKDHYULHQDJRP-UHFFFAOYSA-N 0 0 444.513 1.100 50 0 IDAARN COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(CSc2ncccn2)cc1=O ZINC000010254941 569153921 /nfs/dbraw/zinc/15/39/21/569153921.db2.gz RVRTUZNYZAINGO-UHFFFAOYSA-N 0 0 425.470 1.677 50 0 IDAARN COc1ccc(OC[C@@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000010385385 569154340 /nfs/dbraw/zinc/15/43/40/569154340.db2.gz GLZZBDACDKESOH-AWEZNQCLSA-N 0 0 431.493 1.330 50 0 IDAARN CC(C)OCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000010385577 569154464 /nfs/dbraw/zinc/15/44/64/569154464.db2.gz RCOCMCASLAYKRI-OAHLLOKOSA-N 0 0 431.493 1.090 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385239 569154592 /nfs/dbraw/zinc/15/45/92/569154592.db2.gz AVURKLXJPPRVKU-QGZVFWFLSA-N 0 0 441.532 1.806 50 0 IDAARN CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)C1 ZINC000013790552 569157080 /nfs/dbraw/zinc/15/70/80/569157080.db2.gz JRSVMMZNGSXMCY-ZDUSSCGKSA-N 0 0 426.539 1.756 50 0 IDAARN COc1ccc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1NC(C)=O ZINC000014101714 569157842 /nfs/dbraw/zinc/15/78/42/569157842.db2.gz NIGXRMCNMFHIBU-UHFFFAOYSA-N 0 0 441.531 1.382 50 0 IDAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CCO)c2ccccc2)c1 ZINC000089661626 569160822 /nfs/dbraw/zinc/16/08/22/569160822.db2.gz SLSWFFOITLMDST-GOSISDBHSA-N 0 0 433.530 1.942 50 0 IDAARN COc1ccc(NC(=O)[C@H](C)OC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1OC ZINC000016772183 569161780 /nfs/dbraw/zinc/16/17/80/569161780.db2.gz KAROFHGUJLJTHW-LBPRGKRZSA-N 0 0 447.469 1.313 50 0 IDAARN Cc1ccc(C(=O)Cn2c(NCCCN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000016839432 569163034 /nfs/dbraw/zinc/16/30/34/569163034.db2.gz KWZMKABLGNQIDM-UHFFFAOYSA-N 0 0 440.504 1.161 50 0 IDAARN O=C(NC[C@@]1(O)CCOC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000089781063 569163037 /nfs/dbraw/zinc/16/30/37/569163037.db2.gz VFDXWJAKKNKDOK-NRFANRHFSA-N 0 0 448.497 1.530 50 0 IDAARN Cn1c2nc(N3CCCCC3)n(C[C@@H](O)COc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000016839470 569163041 /nfs/dbraw/zinc/16/30/41/569163041.db2.gz BQWVSCOZDSCWPZ-CQSZACIVSA-N 0 0 447.923 1.517 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)c1 ZINC000016890568 569165512 /nfs/dbraw/zinc/16/55/12/569165512.db2.gz NYUPDDKMASBQQK-UHFFFAOYSA-N 0 0 435.419 1.773 50 0 IDAARN c1cnc(N2CCN(CCCNc3nc4ccccc4nc3N3CCOCC3)CC2)nc1 ZINC000089873309 569166582 /nfs/dbraw/zinc/16/65/82/569166582.db2.gz SHIOLHGSQBMDQP-UHFFFAOYSA-N 0 0 434.548 1.881 50 0 IDAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000016943047 569166789 /nfs/dbraw/zinc/16/67/89/569166789.db2.gz DELFSCPEHFRTTP-UHFFFAOYSA-N 0 0 426.404 1.571 50 0 IDAARN CC(=O)N(CCC(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1)Cc1ccccc1 ZINC000089930357 569167952 /nfs/dbraw/zinc/16/79/52/569167952.db2.gz ASANXOVLYAYFQM-HXUWFJFHSA-N 0 0 435.532 1.896 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2ccccn2)c2ccco2)cc1 ZINC000017043311 569171372 /nfs/dbraw/zinc/17/13/72/569171372.db2.gz VHIAZDGHDWUHDX-LJQANCHMSA-N 0 0 427.482 1.931 50 0 IDAARN Cc1csc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)n1 ZINC000017144033 569174630 /nfs/dbraw/zinc/17/46/30/569174630.db2.gz JQQLKRIRTXFGGU-UHFFFAOYSA-N 0 0 435.575 1.560 50 0 IDAARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 ZINC000017169686 569175320 /nfs/dbraw/zinc/17/53/20/569175320.db2.gz AVAPWFFGKMVBMS-RHSMWYFYSA-N 0 0 440.905 1.859 50 0 IDAARN O=C(NCc1ccncc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169774 569175321 /nfs/dbraw/zinc/17/53/21/569175321.db2.gz GPWDKNAXSNQPLW-SFHVURJKSA-N 0 0 431.445 1.761 50 0 IDAARN Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000002130496 569184909 /nfs/dbraw/zinc/18/49/09/569184909.db2.gz FKWBHSUGFQMCEU-SYSFZUQMSA-N 0 0 433.464 1.780 50 0 biogenic IDAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002134546 569185265 /nfs/dbraw/zinc/18/52/65/569185265.db2.gz JESAKGFQNKXLOS-VLAJGBEZSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN O=C(c1cc(N2CCOCC2)ncn1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000252494245 569187803 /nfs/dbraw/zinc/18/78/03/569187803.db2.gz NPIWTVRXLLPFHN-UHFFFAOYSA-N 0 0 431.500 1.733 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000252507361 569188192 /nfs/dbraw/zinc/18/81/92/569188192.db2.gz WJDUUFFPBLHRKK-UHFFFAOYSA-N 0 0 444.554 1.402 50 0 IDAARN Cc1ccnc(SCCCn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000010248817 569188296 /nfs/dbraw/zinc/18/82/96/569188296.db2.gz IDSLUTTZBJWQAJ-ZDUSSCGKSA-N 0 0 429.550 1.940 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1CCOCCO ZINC000010233368 569188343 /nfs/dbraw/zinc/18/83/43/569188343.db2.gz KRCJEJZCFQWTGU-UHFFFAOYSA-N 0 0 431.880 1.168 50 0 IDAARN COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524731316 569188603 /nfs/dbraw/zinc/18/86/03/569188603.db2.gz SGSJMSGRGVYFNL-INIZCTEOSA-N 0 0 444.440 1.043 50 0 biogenic IDAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(-c2ccncc2)no1 ZINC000170648313 569189482 /nfs/dbraw/zinc/18/94/82/569189482.db2.gz KWRXAZZPBKZZMI-KRWDZBQOSA-N 0 0 440.485 1.511 50 0 IDAARN O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCN(CCc2ccccn2)CC1 ZINC000252538962 569190168 /nfs/dbraw/zinc/19/01/68/569190168.db2.gz NNDYSYXMCQSYAF-HXUWFJFHSA-N 0 0 439.491 1.623 50 0 IDAARN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000027344533 569190794 /nfs/dbraw/zinc/19/07/94/569190794.db2.gz HIUSKRJTCPJHNX-OAHLLOKOSA-N 0 0 441.561 1.741 50 0 IDAARN Cc1ccc(CN2CCCn3nc(C(=O)N(C)CC(=O)N4CCOCC4)cc3C2=O)cc1 ZINC000037577686 569201476 /nfs/dbraw/zinc/20/14/76/569201476.db2.gz DKQGLLREFKBPIJ-UHFFFAOYSA-N 0 0 439.516 1.168 50 0 IDAARN CC(C)C[C@H](C(=O)N(C)C[C@H](O)COCCOC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000252669343 569209818 /nfs/dbraw/zinc/20/98/18/569209818.db2.gz HFWAGDMXHQTNFB-MTQWCTHYSA-N 0 0 438.565 1.613 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000252677370 569210482 /nfs/dbraw/zinc/21/04/82/569210482.db2.gz YMSVZNGDVRMFDC-FQEVSTJZSA-N 0 0 449.488 1.729 50 0 IDAARN O=C1[C@H]2[C@H](C(=O)N1Cc1cccnc1)[C@H]1C=C[C@@H]2[C@@H]2C(=O)N(Cc3cccnc3)C(=O)[C@H]21 ZINC000252694709 569211000 /nfs/dbraw/zinc/21/10/00/569211000.db2.gz OROWPZZWTYLNEV-ZEVXLENSSA-N 0 0 428.448 1.195 50 0 IDAARN C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000252695385 569211105 /nfs/dbraw/zinc/21/11/05/569211105.db2.gz ZDZLHYCCYICKBX-SPDRLTDRSA-N 0 0 439.899 1.684 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 ZINC000253387994 569264180 /nfs/dbraw/zinc/26/41/80/569264180.db2.gz CEVOSYZYPKOCBS-ZWOKBUDYSA-N 0 0 442.603 1.773 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000253397526 569264793 /nfs/dbraw/zinc/26/47/93/569264793.db2.gz FTCRVQGPPFOOHQ-SOFGYWHQSA-N 0 0 446.529 1.702 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(Br)o2)CC1 ZINC000253407992 569265400 /nfs/dbraw/zinc/26/54/00/569265400.db2.gz WZSXYRUYQWESKY-UHFFFAOYSA-N 0 0 445.339 1.929 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1C ZINC000253470833 569282574 /nfs/dbraw/zinc/28/25/74/569282574.db2.gz ABOMFYIZZFBKRE-UHFFFAOYSA-N 0 0 434.490 1.092 50 0 IDAARN CN1c2ccccc2N(CCNS(=O)(=O)c2ccccc2Br)S1(=O)=O ZINC000253473414 569282910 /nfs/dbraw/zinc/28/29/10/569282910.db2.gz UUYJIFDFRXHRJH-UHFFFAOYSA-N 0 0 446.348 1.929 50 0 IDAARN CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NC(CO)CO ZINC000027638972 569286150 /nfs/dbraw/zinc/28/61/50/569286150.db2.gz YRUGYYZQISUWGN-AVMYJHFGSA-N 0 0 425.566 1.636 50 0 in-vitro IDAARN CNC(=O)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)C2CC2)cc1 ZINC000013012768 569307040 /nfs/dbraw/zinc/30/70/40/569307040.db2.gz LHWATLBUGSWFGB-UHFFFAOYSA-N 0 0 445.541 1.776 50 0 IDAARN CCCn1c2ccc(S(N)(=O)=O)cc2n(C[C@H](O)COc2ccc(Cl)cc2)c1=O ZINC000013022289 569307272 /nfs/dbraw/zinc/30/72/72/569307272.db2.gz MVJFKVKREPMKKX-AWEZNQCLSA-N 0 0 439.921 1.954 50 0 IDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000013041863 569308308 /nfs/dbraw/zinc/30/83/08/569308308.db2.gz WMLRYAGOJZOISV-UHFFFAOYSA-N 0 0 438.484 1.550 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)c(C)c1 ZINC000013069527 569308851 /nfs/dbraw/zinc/30/88/51/569308851.db2.gz YRIKODIGVQPYSK-UHFFFAOYSA-N 0 0 430.530 1.347 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O ZINC000013164616 569312515 /nfs/dbraw/zinc/31/25/15/569312515.db2.gz GVTMGPSQYXAJBC-FPTDNZKUSA-N 0 0 439.424 1.139 50 0 IDAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)cc1 ZINC000013346470 569312899 /nfs/dbraw/zinc/31/28/99/569312899.db2.gz PRBGXDURZILRNN-INIZCTEOSA-N 0 0 449.573 1.756 50 0 IDAARN CC(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000013351902 569313294 /nfs/dbraw/zinc/31/32/94/569313294.db2.gz ORQVMDGWTMMNAB-UHFFFAOYSA-N 0 0 444.576 1.972 50 0 IDAARN CC(=O)c1cccc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000013359413 569313830 /nfs/dbraw/zinc/31/38/30/569313830.db2.gz FUFKAGULFLPBKD-UHFFFAOYSA-N 0 0 449.442 1.925 50 0 IDAARN Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000014943737 569316271 /nfs/dbraw/zinc/31/62/71/569316271.db2.gz PNGDGHUKTBXEDB-FQEVSTJZSA-N 0 0 430.530 1.897 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)n1CCN1CCOCC1 ZINC000019201002 569316480 /nfs/dbraw/zinc/31/64/80/569316480.db2.gz LQNUSMXTZZUGCX-UHFFFAOYSA-N 0 0 436.516 1.147 50 0 IDAARN COc1ccc(-c2cnc(CCC(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)o2)cc1 ZINC000328591271 569316972 /nfs/dbraw/zinc/31/69/72/569316972.db2.gz ZSDVTQKCLNXKOX-UHFFFAOYSA-N 0 0 445.501 1.539 50 0 IDAARN COC(=O)CC1(NC(=O)C(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)CCCC1 ZINC000328596734 569318008 /nfs/dbraw/zinc/31/80/08/569318008.db2.gz WMYDTSDCAFLHRE-UHFFFAOYSA-N 0 0 431.489 1.862 50 0 IDAARN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)c1 ZINC000078869752 569319568 /nfs/dbraw/zinc/31/95/68/569319568.db2.gz WEDOYSWSBAYALK-KRWDZBQOSA-N 0 0 433.578 1.642 50 0 IDAARN COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)c1 ZINC000078869762 569319584 /nfs/dbraw/zinc/31/95/84/569319584.db2.gz VBIVSLMJDYPZNV-UHFFFAOYSA-N 0 0 431.474 1.250 50 0 IDAARN CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000078874771 569319593 /nfs/dbraw/zinc/31/95/93/569319593.db2.gz AZXRPQWAEXRIMV-DLBZAZTESA-N 0 0 445.564 1.800 50 0 IDAARN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCn1cnc3c(C)cccc3c1=O)CC2 ZINC000078875359 569319729 /nfs/dbraw/zinc/31/97/29/569319729.db2.gz IRTFYNSWKXIISX-UHFFFAOYSA-N 0 0 440.525 1.983 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc([S@](C)=O)c(F)c3)C2=O)cc1 ZINC000078879233 569320027 /nfs/dbraw/zinc/32/00/27/569320027.db2.gz ZMICVCUDUSFFLV-PRAQEBQASA-N 0 0 433.461 1.977 50 0 IDAARN O=c1[nH]c2cc(Br)c(S(=O)(=O)NC[C@@H]3COc4ccccc4O3)cc2[nH]1 ZINC000078967586 569320634 /nfs/dbraw/zinc/32/06/34/569320634.db2.gz CQQCWLOOFZGAEK-SECBINFHSA-N 0 0 440.275 1.737 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H](CO)c2ccccc2)c1 ZINC000079019861 569322396 /nfs/dbraw/zinc/32/23/96/569322396.db2.gz XHNDVXZZHZHBER-IBGZPJMESA-N 0 0 447.557 1.339 50 0 IDAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000079021580 569322543 /nfs/dbraw/zinc/32/25/43/569322543.db2.gz UFLBCWIOBBUGGT-ZDUSSCGKSA-N 0 0 436.299 1.329 50 0 IDAARN C[C@H](CNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000079069552 569324395 /nfs/dbraw/zinc/32/43/95/569324395.db2.gz LLFGYPFXQRQGRW-ZIAGYGMSSA-N 0 0 433.368 1.696 50 0 IDAARN CCOCCNC(=O)C[C@@]1(C(=O)NCCOCC)CCN(C(=O)OCc2ccccc2)C1 ZINC000079095503 569325222 /nfs/dbraw/zinc/32/52/22/569325222.db2.gz UCDIMGYCNKDSQK-QHCPKHFHSA-N 0 0 449.548 1.711 50 0 IDAARN CCOCCNC(=O)C[C@]1(C(=O)NCCOCC)CCN(C(=O)OCc2ccccc2)C1 ZINC000079095498 569325271 /nfs/dbraw/zinc/32/52/71/569325271.db2.gz UCDIMGYCNKDSQK-HSZRJFAPSA-N 0 0 449.548 1.711 50 0 IDAARN COC(=O)c1ccoc1CN1CCN(Cc2occc2C(=O)OC)[C@H](C(=O)N(C)C)C1 ZINC000079103757 569325752 /nfs/dbraw/zinc/32/57/52/569325752.db2.gz BBHRDWVHZTZFOD-INIZCTEOSA-N 0 0 433.461 1.220 50 0 IDAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C1=O ZINC000019797481 569329635 /nfs/dbraw/zinc/32/96/35/569329635.db2.gz RSACHCZSIPEIOQ-UHFFFAOYSA-N 0 0 429.502 1.142 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(Cn3nc4c(cc3=O)CCCCC4)CC2)cc1 ZINC000079481135 569330856 /nfs/dbraw/zinc/33/08/56/569330856.db2.gz OTRNPMAEXQMYME-UHFFFAOYSA-N 0 0 432.546 1.485 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1ccc(C)cc1C ZINC000020052181 569332863 /nfs/dbraw/zinc/33/28/63/569332863.db2.gz GAGAARMEVWINLI-UHFFFAOYSA-N 0 0 436.516 1.396 50 0 IDAARN CN1c2ccccc2N(CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)S1(=O)=O ZINC000390826421 569353813 /nfs/dbraw/zinc/35/38/13/569353813.db2.gz KSHJWXRXRBIKFV-AWEZNQCLSA-N 0 0 432.477 1.496 50 0 IDAARN CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)nc21 ZINC000390828209 569353944 /nfs/dbraw/zinc/35/39/44/569353944.db2.gz PLVQJNIUFBUTLO-CYBMUJFWSA-N 0 0 439.501 1.787 50 0 IDAARN CCSc1nc2n(n1)[C@H](c1ccc(OCC(N)=O)c(OC)c1)C(C(=O)OC)C(C)=N2 ZINC000020190964 569355583 /nfs/dbraw/zinc/35/55/83/569355583.db2.gz UHSPOZUHMXQZQQ-MRXNPFEDSA-N 0 0 433.490 1.725 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCc3ccc4c(c3)OCO4)ccc21 ZINC000020233094 569357115 /nfs/dbraw/zinc/35/71/15/569357115.db2.gz GLBZSKOVRVHPCN-UHFFFAOYSA-N 0 0 445.497 1.309 50 0 IDAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCc4ccccn4)[nH]c3c2cc1OC ZINC000020234038 569357195 /nfs/dbraw/zinc/35/71/95/569357195.db2.gz WUUPQTSAGIKYKV-CQSZACIVSA-N 0 0 439.497 1.863 50 0 IDAARN COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000020287688 569359311 /nfs/dbraw/zinc/35/93/11/569359311.db2.gz WNDHZNNGXGSQGJ-UZLBHIALSA-N 0 0 430.574 1.866 50 0 IDAARN COC(=O)CSc1cc(=O)n(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]1 ZINC000020365375 569362045 /nfs/dbraw/zinc/36/20/45/569362045.db2.gz LAVXGQMHFBPFIZ-UHFFFAOYSA-N 0 0 438.815 1.981 50 0 IDAARN Cc1nn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)c2cc3sccc3n21 ZINC000020384040 569362859 /nfs/dbraw/zinc/36/28/59/569362859.db2.gz HMYYWZKKPJFORO-UHFFFAOYSA-N 0 0 425.470 1.597 50 0 IDAARN CCc1nn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)c2cc3sccc3n21 ZINC000020384126 569362872 /nfs/dbraw/zinc/36/28/72/569362872.db2.gz GGWQIEFPUQPERD-UHFFFAOYSA-N 0 0 439.497 1.851 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C(=O)NC3CCCC3)C2)cc1 ZINC000080358324 569363463 /nfs/dbraw/zinc/36/34/63/569363463.db2.gz KHJORIAWKDCXIB-HZPDHXFCSA-N 0 0 437.562 1.659 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)n2)CC1 ZINC000095405849 569364567 /nfs/dbraw/zinc/36/45/67/569364567.db2.gz IZZBRCFFPNNIIS-CQSZACIVSA-N 0 0 441.492 1.926 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@H]3COCC[C@H]32)c1 ZINC000095415669 569365287 /nfs/dbraw/zinc/36/52/87/569365287.db2.gz POHXRZKVUVEXIM-PKOBYXMFSA-N 0 0 437.562 1.474 50 0 IDAARN C[C@H](C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)S(=O)(=O)C1CCOCC1 ZINC000095419531 569365435 /nfs/dbraw/zinc/36/54/35/569365435.db2.gz FAKFZSVDEJFFGA-MRXNPFEDSA-N 0 0 437.562 1.188 50 0 IDAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000095427689 569366117 /nfs/dbraw/zinc/36/61/17/569366117.db2.gz NGTFZHBBEZPRSK-MRXNPFEDSA-N 0 0 434.518 1.257 50 0 IDAARN CC1CCN(c2nnc(SCCN3CCCS3(=O)=O)n2C[C@H]2CCCO2)CC1 ZINC000095430754 569366181 /nfs/dbraw/zinc/36/61/81/569366181.db2.gz XZHHQGKMOTXNSJ-MRXNPFEDSA-N 0 0 429.612 1.821 50 0 IDAARN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 ZINC000095436363 569366629 /nfs/dbraw/zinc/36/66/29/569366629.db2.gz WJNBBVVJZNFXBU-DLBZAZTESA-N 0 0 433.553 1.866 50 0 IDAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@H]1CCN(C2CC2)C1=O ZINC000095441561 569366725 /nfs/dbraw/zinc/36/67/25/569366725.db2.gz KPXJOFXNIFZUFB-FQEVSTJZSA-N 0 0 427.526 1.967 50 0 IDAARN Cc1c(N2CCN(CC(F)F)CC2)nc(N(C)C)nc1N1CCN(CC(F)F)CC1 ZINC000095443287 569366900 /nfs/dbraw/zinc/36/69/00/569366900.db2.gz ZAUPYNNBYIEBEZ-UHFFFAOYSA-N 0 0 433.498 1.625 50 0 IDAARN CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000095444505 569367061 /nfs/dbraw/zinc/36/70/61/569367061.db2.gz FXTMTAYSZVFKAG-UHFFFAOYSA-N 0 0 443.522 1.655 50 0 IDAARN O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000095455449 569368506 /nfs/dbraw/zinc/36/85/06/569368506.db2.gz NPGBSFXGYAKKNF-UHFFFAOYSA-N 0 0 432.333 1.898 50 0 IDAARN CC[C@H](C(=O)Nc1cnn(C[C@@H](O)CN(C)OC)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000095456514 569368857 /nfs/dbraw/zinc/36/88/57/569368857.db2.gz CQBKTHVVZNIWPF-DLBZAZTESA-N 0 0 448.915 1.634 50 0 IDAARN C[C@@H]1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000095459715 569369513 /nfs/dbraw/zinc/36/95/13/569369513.db2.gz LVIHGPVJYXIAIX-IYBDPMFKSA-N 0 0 439.503 1.811 50 0 IDAARN Cc1ccc(-n2nccc2NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)nn1 ZINC000095461271 569369782 /nfs/dbraw/zinc/36/97/82/569369782.db2.gz BKJBHZZSARWJJK-HNNXBMFYSA-N 0 0 441.517 1.160 50 0 IDAARN C[S@@](=O)C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 ZINC000095461435 569369814 /nfs/dbraw/zinc/36/98/14/569369814.db2.gz BOXLPKGQFPUVEI-LBEKAKSKSA-N 0 0 449.554 1.302 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)NC2(CO)CCC2)ccc1I ZINC000095461952 569370013 /nfs/dbraw/zinc/37/00/13/569370013.db2.gz SUZSZVNSUOJPIE-UHFFFAOYSA-N 0 0 439.271 1.661 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(C)CC2)CC1 ZINC000095464877 569370542 /nfs/dbraw/zinc/37/05/42/569370542.db2.gz IPEIHWBCFPQXOF-IEBWSBKVSA-N 0 0 430.549 1.437 50 0 IDAARN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000095474257 569372619 /nfs/dbraw/zinc/37/26/19/569372619.db2.gz HGUOPZQUHFUFBC-DCLXLUIPSA-N 0 0 427.545 1.809 50 0 IDAARN O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000095476398 569373016 /nfs/dbraw/zinc/37/30/16/569373016.db2.gz RMNFUWQGSZPCEF-WBVHZDCISA-N 0 0 446.554 1.942 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)C[C@H](Cn2cnnn2)c2ccc(Cl)cc2)cc1 ZINC000095477567 569373389 /nfs/dbraw/zinc/37/33/89/569373389.db2.gz DEVSSGFYUIHARH-OAHLLOKOSA-N 0 0 434.909 1.464 50 0 IDAARN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000095959109 569376942 /nfs/dbraw/zinc/37/69/42/569376942.db2.gz CJVXMDIESHIILA-KGLIPLIRSA-N 0 0 442.559 1.958 50 0 IDAARN CN(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)C1CCN(c2ccccn2)CC1 ZINC000095962949 569377250 /nfs/dbraw/zinc/37/72/50/569377250.db2.gz SQLAUBAPACYGQV-UHFFFAOYSA-N 0 0 427.534 1.562 50 0 IDAARN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000095981281 569377897 /nfs/dbraw/zinc/37/78/97/569377897.db2.gz XXJSJHZQRVKDNE-UHFFFAOYSA-N 0 0 441.922 1.497 50 0 IDAARN CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)cc2)CC1 ZINC000095991538 569378180 /nfs/dbraw/zinc/37/81/80/569378180.db2.gz UKIFSLDBHWQVGS-UHFFFAOYSA-N 0 0 446.511 1.888 50 0 IDAARN COc1ccc2nc(CN3CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)[nH]c2n1 ZINC000095996047 569378817 /nfs/dbraw/zinc/37/88/17/569378817.db2.gz FOFVHBAGUQTBPC-UHFFFAOYSA-N 0 0 429.502 1.676 50 0 IDAARN O=C(CN1CCN(C(=O)c2ccc(OCC(F)(F)F)nn2)CC1)N1CCc2ccccc21 ZINC000096004529 569379256 /nfs/dbraw/zinc/37/92/56/569379256.db2.gz PVZPVTVTDPZCIO-UHFFFAOYSA-N 0 0 449.433 1.765 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)NCCNC(=O)c1ccccc1Cl ZINC000096007960 569379465 /nfs/dbraw/zinc/37/94/65/569379465.db2.gz LLGWOYJOPBEYBA-UHFFFAOYSA-N 0 0 435.814 1.960 50 0 IDAARN CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000096008972 569379630 /nfs/dbraw/zinc/37/96/30/569379630.db2.gz PDOFJCVRZTWHOS-LLVKDONJSA-N 0 0 446.323 1.008 50 0 IDAARN O=S(=O)(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000096025887 569380720 /nfs/dbraw/zinc/38/07/20/569380720.db2.gz RDGHBWKALDAWIO-UHFFFAOYSA-N 0 0 430.548 1.330 50 0 IDAARN CN1CCOc2ccc(NS(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)cc2C1=O ZINC000096096736 569381310 /nfs/dbraw/zinc/38/13/10/569381310.db2.gz WPAKEFMZCOPVGL-UHFFFAOYSA-N 0 0 427.482 1.787 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000096104447 569382268 /nfs/dbraw/zinc/38/22/68/569382268.db2.gz VDGUKEKDBFTBAV-UHFFFAOYSA-N 0 0 429.903 1.973 50 0 IDAARN COc1cn(CC(=O)NC(C)C)c(CN2CCc3cc(OC)c(OC)cc3C2)cc1=O ZINC000096114401 569382831 /nfs/dbraw/zinc/38/28/31/569382831.db2.gz MLTSJGOOVDOIGH-UHFFFAOYSA-N 0 0 429.517 1.957 50 0 biogenic IDAARN COc1cc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc2c1OCCO2 ZINC000096115268 569383135 /nfs/dbraw/zinc/38/31/35/569383135.db2.gz NTXWDLQVBZUHLP-OAHLLOKOSA-N 0 0 431.441 1.814 50 0 biogenic IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000096231556 569387578 /nfs/dbraw/zinc/38/75/78/569387578.db2.gz PQGICGDPDAMTNK-ZDUSSCGKSA-N 0 0 436.394 1.540 50 0 IDAARN O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1cccs1 ZINC000096305046 569392188 /nfs/dbraw/zinc/39/21/88/569392188.db2.gz YJVCODNUSVEXRB-UHFFFAOYSA-N 0 0 442.497 1.543 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c1 ZINC000096307776 569392291 /nfs/dbraw/zinc/39/22/91/569392291.db2.gz IQMNWSBNWPJXDP-UHFFFAOYSA-N 0 0 431.445 1.540 50 0 IDAARN COc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)N[C@H]3CCc4ccccc43)n2)c1 ZINC000096321821 569394147 /nfs/dbraw/zinc/39/41/47/569394147.db2.gz VSBZLHHCLWSUAL-IBGZPJMESA-N 0 0 439.493 1.888 50 0 IDAARN COC(=O)c1ccc(C)cc1NC(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000096321712 569394163 /nfs/dbraw/zinc/39/41/63/569394163.db2.gz OEOXXKJKSNVPEW-UHFFFAOYSA-N 0 0 436.472 1.778 50 0 IDAARN COC(=O)c1sccc1NC(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000096321709 569394205 /nfs/dbraw/zinc/39/42/05/569394205.db2.gz WHDIIYZUYRXGBQ-UHFFFAOYSA-N 0 0 428.474 1.531 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)c1C ZINC000096323307 569395203 /nfs/dbraw/zinc/39/52/03/569395203.db2.gz RJONDDZGSVHLMH-UHFFFAOYSA-N 0 0 436.534 1.684 50 0 IDAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000096323418 569395231 /nfs/dbraw/zinc/39/52/31/569395231.db2.gz IOOKVOCQWWYXKA-IBGZPJMESA-N 0 0 448.545 1.754 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000096324176 569395699 /nfs/dbraw/zinc/39/56/99/569395699.db2.gz VYQMITRCKXZPPY-UHFFFAOYSA-N 0 0 426.498 1.752 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000096324178 569395713 /nfs/dbraw/zinc/39/57/13/569395713.db2.gz CUSJMGYJISNWJO-UHFFFAOYSA-N 0 0 438.509 1.946 50 0 IDAARN O=C(Cn1nc(C(=O)N2CCc3ccccc32)ccc1=O)NCCc1nc2ccccc2[nH]1 ZINC000096328200 569396244 /nfs/dbraw/zinc/39/62/44/569396244.db2.gz ZJIGWBCCWZYUBN-UHFFFAOYSA-N 0 0 442.479 1.681 50 0 IDAARN Cc1ccc([C@H](CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)OCCO)cc1 ZINC000096338137 569396777 /nfs/dbraw/zinc/39/67/77/569396777.db2.gz JXEZOBFKKXFTNW-FQEVSTJZSA-N 0 0 430.526 1.859 50 0 IDAARN CC(C)CS(=O)(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2)CC1 ZINC000096374427 569398085 /nfs/dbraw/zinc/39/80/85/569398085.db2.gz PMKZVPIMJMBFEI-UHFFFAOYSA-N 0 0 434.555 1.556 50 0 IDAARN CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2cc(OC)ccc2Br)CC1 ZINC000096377016 569398225 /nfs/dbraw/zinc/39/82/25/569398225.db2.gz WYMIFAAWKIGGGG-UHFFFAOYSA-N 0 0 433.324 1.223 50 0 IDAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccc3OC)CC2)c1=O ZINC000096396674 569399072 /nfs/dbraw/zinc/39/90/72/569399072.db2.gz HAWRRHWASVZPIT-UHFFFAOYSA-N 0 0 429.502 1.940 50 0 IDAARN CC(C)NC(=O)CN1CCN(CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1 ZINC000096865448 569402520 /nfs/dbraw/zinc/40/25/20/569402520.db2.gz RKZUPAPAGKBMBS-DEOSSOPVSA-N 0 0 443.592 1.851 50 0 IDAARN O=C(COc1ccccc1O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000002457767 569403348 /nfs/dbraw/zinc/40/33/48/569403348.db2.gz DCNCVBZKIXXNAG-UHFFFAOYSA-N 0 0 434.470 1.075 50 0 IDAARN Cc1c(NC(=O)COC(=O)CN2c3ccccc3C(=O)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000002479949 569404625 /nfs/dbraw/zinc/40/46/25/569404625.db2.gz DLWRKMHURDDMQL-UHFFFAOYSA-N 0 0 448.435 1.196 50 0 IDAARN Cn1c(=O)cc(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)n(C)c1=O ZINC000027973048 569404951 /nfs/dbraw/zinc/40/49/51/569404951.db2.gz KXBQWPJMFXBZJK-UHFFFAOYSA-N 0 0 434.250 1.332 50 0 IDAARN CCOC(=O)c1sc(NC(=O)COC(=O)CN2c3ccccc3C(=O)C2=O)nc1C ZINC000002482303 569404990 /nfs/dbraw/zinc/40/49/90/569404990.db2.gz HIQZISILXDDRSB-UHFFFAOYSA-N 0 0 431.426 1.339 50 0 IDAARN O=C(c1cnn2c1CCCC2)N1CCN(S(=O)(=O)Cc2noc3ccccc32)CC1 ZINC000225607124 569405545 /nfs/dbraw/zinc/40/55/45/569405545.db2.gz PJDNOPDTNZFLJX-UHFFFAOYSA-N 0 0 429.502 1.648 50 0 IDAARN CC1(C)Cc2cccc(OCC(=O)N3CC(n4cc(CN5CCCC5=O)nn4)C3)c2O1 ZINC000225631131 569406202 /nfs/dbraw/zinc/40/62/02/569406202.db2.gz RXPADTVCLDEVII-UHFFFAOYSA-N 0 0 425.489 1.576 50 0 IDAARN O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000225638929 569406363 /nfs/dbraw/zinc/40/63/63/569406363.db2.gz UQUDCVRLIHDWBE-SFHVURJKSA-N 0 0 426.454 1.871 50 0 IDAARN O=C1CCCC(=O)N1CCS(=O)(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736290 569407786 /nfs/dbraw/zinc/40/77/86/569407786.db2.gz AEQCPGSPYJAQQV-ZDUSSCGKSA-N 0 0 435.424 1.422 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)NCc1nnc2c(-c3nc(C)no3)cccn12 ZINC000225749878 569408088 /nfs/dbraw/zinc/40/80/88/569408088.db2.gz VYOMVEZGRRBPJA-UHFFFAOYSA-N 0 0 434.459 1.414 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)CC2=O)cc1 ZINC000028508795 569410155 /nfs/dbraw/zinc/41/01/55/569410155.db2.gz SXJKBRAXHAEQJA-CYBMUJFWSA-N 0 0 437.543 1.676 50 0 IDAARN CCCn1c(=O)c2c(nc1N1CCN(S(=O)(=O)c3ccccc3)CC1)c(C)nn2C ZINC000028557152 569412307 /nfs/dbraw/zinc/41/23/07/569412307.db2.gz PLFKGLGXUCKNKW-UHFFFAOYSA-N 0 0 430.534 1.359 50 0 IDAARN CCCN(CC1CC1)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc2nsnc21 ZINC000002643366 569413957 /nfs/dbraw/zinc/41/39/57/569413957.db2.gz ZGIBWZGIVHJYCQ-GFCCVEGCSA-N 0 0 440.547 1.550 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000002654848 569415431 /nfs/dbraw/zinc/41/54/31/569415431.db2.gz BYXUMVQSLYPJRI-HNNXBMFYSA-N 0 0 433.486 1.288 50 0 IDAARN CCOC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000028829122 569422251 /nfs/dbraw/zinc/42/22/51/569422251.db2.gz WNSDGYKXGLZKBR-UHFFFAOYSA-N 0 0 448.497 1.902 50 0 IDAARN CCn1cc(S(=O)(=O)N2CCC[C@H](c3nc4c5cnn(C)c5ncn4n3)C2)c(C)n1 ZINC000002803181 569422554 /nfs/dbraw/zinc/42/25/54/569422554.db2.gz UQYRWBLANPJMBU-ZDUSSCGKSA-N 0 0 429.510 1.104 50 0 IDAARN CCOC(=O)CNC(=O)c1sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c2c1C ZINC000002926763 569425772 /nfs/dbraw/zinc/42/57/72/569425772.db2.gz BUAUTVYNHJGGNJ-CHWSQXEVSA-N 0 0 448.545 1.564 50 0 IDAARN COC(CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)OC ZINC000002938251 569426361 /nfs/dbraw/zinc/42/63/61/569426361.db2.gz YFPGDVQQUAKASL-QGZVFWFLSA-N 0 0 426.922 1.965 50 0 IDAARN COc1ccc([C@@H](CC(=O)NCC(OC)OC)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002938724 569426549 /nfs/dbraw/zinc/42/65/49/569426549.db2.gz SUIXTCUEZBXHGL-GOSISDBHSA-N 0 0 440.493 1.979 50 0 IDAARN Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnn1-c1nc2c(s1)CCCC2 ZINC000056933913 569427780 /nfs/dbraw/zinc/42/77/80/569427780.db2.gz PYKCCSSUXMFIEF-UHFFFAOYSA-N 0 0 446.558 1.531 50 0 IDAARN COC(=O)c1ccc(CN2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)o1 ZINC000056938955 569427821 /nfs/dbraw/zinc/42/78/21/569427821.db2.gz DJWXTTCAWGMMBY-MRXNPFEDSA-N 0 0 436.534 1.561 50 0 IDAARN COCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945825 569428196 /nfs/dbraw/zinc/42/81/96/569428196.db2.gz VWKIWIKWLMRILJ-IBGZPJMESA-N 0 0 432.496 1.551 50 0 IDAARN Cn1c2nc(N3CCN(Cc4ccc(F)cc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000056952593 569428649 /nfs/dbraw/zinc/42/86/49/569428649.db2.gz GYLWYGGMIAUBHC-UHFFFAOYSA-N 0 0 448.502 1.933 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1 ZINC000056997463 569428784 /nfs/dbraw/zinc/42/87/84/569428784.db2.gz NBPZXQWFLZHEGX-UHFFFAOYSA-N 0 0 434.537 1.628 50 0 IDAARN COc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000056998050 569428961 /nfs/dbraw/zinc/42/89/61/569428961.db2.gz VDOVWQYFZGCGDH-ROUUACIJSA-N 0 0 430.482 1.438 50 0 IDAARN O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCC(=O)NCc1ccco1 ZINC000029711628 569431832 /nfs/dbraw/zinc/43/18/32/569431832.db2.gz KTZSBMSYQCJCFB-UHFFFAOYSA-N 0 0 448.273 1.851 50 0 IDAARN CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002964749 569432911 /nfs/dbraw/zinc/43/29/11/569432911.db2.gz UNMYQYJPYXYSEU-UHFFFAOYSA-N 0 0 445.626 1.923 50 0 IDAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)c1 ZINC000057428051 569434822 /nfs/dbraw/zinc/43/48/22/569434822.db2.gz SISJSADCLAJRSM-KRWDZBQOSA-N 0 0 443.525 1.967 50 0 IDAARN CCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000057477433 569435831 /nfs/dbraw/zinc/43/58/31/569435831.db2.gz CSDSJXBKGUEZBS-UHFFFAOYSA-N 0 0 425.485 1.949 50 0 IDAARN CCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3OC)CC2)c1=O ZINC000057478823 569435857 /nfs/dbraw/zinc/43/58/57/569435857.db2.gz AMUBJNCOUOIJSC-UHFFFAOYSA-N 0 0 442.541 1.992 50 0 IDAARN Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)NC[C@H]5CCCO5)nc34)n2)cc1 ZINC000057503473 569438095 /nfs/dbraw/zinc/43/80/95/569438095.db2.gz DIHXPRGMZHXFRD-MRXNPFEDSA-N 0 0 434.456 1.817 50 0 IDAARN COc1ccc(CNC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)cc1 ZINC000057520272 569438777 /nfs/dbraw/zinc/43/87/77/569438777.db2.gz IUMFKLHHYMVFNZ-UHFFFAOYSA-N 0 0 438.513 1.972 50 0 IDAARN CN(C)c1ccc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1 ZINC000057520421 569438779 /nfs/dbraw/zinc/43/87/79/569438779.db2.gz PCSAOCWSBPVGTL-UHFFFAOYSA-N 0 0 428.518 1.462 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[S@@](=O)C[C@H]1C ZINC000230157682 569439656 /nfs/dbraw/zinc/43/96/56/569439656.db2.gz QHIUIWQFQJNHFO-CHAGWJKLSA-N 0 0 427.592 1.561 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)c(OC)c1 ZINC000230276706 569440673 /nfs/dbraw/zinc/44/06/73/569440673.db2.gz VGECYQHBVBLCSV-IKGGRYGDSA-N 0 0 437.496 1.864 50 0 biogenic IDAARN C[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)Nc1ccccc1F ZINC000003256523 569443068 /nfs/dbraw/zinc/44/30/68/569443068.db2.gz SZHZKYIPYCTSQC-JTQLQIEISA-N 0 0 438.462 1.679 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CN1c3cccc4cccc(c34)S1(=O)=O)C2=O ZINC000003305634 569445260 /nfs/dbraw/zinc/44/52/60/569445260.db2.gz NPUVTFHNTHRJJM-UHFFFAOYSA-N 0 0 442.497 1.880 50 0 IDAARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003307341 569445306 /nfs/dbraw/zinc/44/53/06/569445306.db2.gz RGCFTRRJZAVIPF-UHFFFAOYSA-N 0 0 437.474 1.539 50 0 IDAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COC(=O)Cn1cnnn1)CC2 ZINC000003310677 569445505 /nfs/dbraw/zinc/44/55/05/569445505.db2.gz FZGABWNLAZGACM-QFIPXVFZSA-N 0 0 437.456 1.408 50 0 IDAARN COc1ccc(-n2nnnc2SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000003347918 569447198 /nfs/dbraw/zinc/44/71/98/569447198.db2.gz HQAGBBSYBJUONA-UHFFFAOYSA-N 0 0 430.465 1.999 50 0 IDAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)c1nc2nccc(C)n2n1 ZINC000003369021 569448233 /nfs/dbraw/zinc/44/82/33/569448233.db2.gz FYKNZNIORFKCSK-UHFFFAOYSA-N 0 0 445.457 1.977 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000003369540 569448311 /nfs/dbraw/zinc/44/83/11/569448311.db2.gz MCSWUSVGICQROH-UHFFFAOYSA-N 0 0 441.415 1.424 50 0 IDAARN CCS(=O)(=O)NCCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000058162774 569449344 /nfs/dbraw/zinc/44/93/44/569449344.db2.gz VPFUCQVVQGABFF-UHFFFAOYSA-N 0 0 426.564 1.552 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1C ZINC000003406016 569449913 /nfs/dbraw/zinc/44/99/13/569449913.db2.gz VJMXYBCBGMOBHI-UHFFFAOYSA-N 0 0 429.498 1.864 50 0 IDAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCc1ccc2c(c1)OCO2 ZINC000003455205 569451794 /nfs/dbraw/zinc/45/17/94/569451794.db2.gz ZRZLZMUUGGSJKJ-UHFFFAOYSA-N 0 0 427.482 1.916 50 0 IDAARN O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003490942 569452484 /nfs/dbraw/zinc/45/24/84/569452484.db2.gz REWIIEOGKSRYDF-UHFFFAOYSA-N 0 0 431.301 1.083 50 0 IDAARN Cc1ccc(C)c(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000003557237 569453935 /nfs/dbraw/zinc/45/39/35/569453935.db2.gz KUCCWKAMGIUBCG-UHFFFAOYSA-N 0 0 446.525 1.987 50 0 IDAARN CCN(C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003559273 569454037 /nfs/dbraw/zinc/45/40/37/569454037.db2.gz MMUOWOXQUKAQBP-LJQANCHMSA-N 0 0 431.510 1.501 50 0 IDAARN Cn1c(=O)n(CC(=O)N2CCC(c3ccccc3)=N2)c(=O)c2ccc(C(F)(F)F)nc21 ZINC000031451878 569456496 /nfs/dbraw/zinc/45/64/96/569456496.db2.gz CHDRMPIREPKJAN-UHFFFAOYSA-N 0 0 431.374 1.751 50 0 IDAARN Cc1cc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cccs3)CC2)nc(C(C)C)n1 ZINC000031493808 569456549 /nfs/dbraw/zinc/45/65/49/569456549.db2.gz XIIXWHPHTMIFJE-UHFFFAOYSA-N 0 0 437.591 1.939 50 0 IDAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C[C@@H](C)O1 ZINC000031713657 569457061 /nfs/dbraw/zinc/45/70/61/569457061.db2.gz HXWRUWNZHLKBOQ-HZPDHXFCSA-N 0 0 449.573 1.615 50 0 IDAARN CCOC(=O)C1=C(CSc2nnc(COc3cc(C)cc(C)c3)n2N)NC(=O)NC1 ZINC000031760415 569457224 /nfs/dbraw/zinc/45/72/24/569457224.db2.gz VASDQDHGWDJYNJ-UHFFFAOYSA-N 0 0 432.506 1.410 50 0 IDAARN O=S(=O)(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772937 569457274 /nfs/dbraw/zinc/45/72/74/569457274.db2.gz IFQZDOUSUCXBIZ-MRXNPFEDSA-N 0 0 433.504 1.587 50 0 IDAARN O=S(=O)(Nc1ccccc1F)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772931 569457305 /nfs/dbraw/zinc/45/73/05/569457305.db2.gz CJHZKEMMDYGYCW-CQSZACIVSA-N 0 0 433.504 1.587 50 0 IDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000031808322 569457576 /nfs/dbraw/zinc/45/75/76/569457576.db2.gz JVLAOMGRSXSNLH-WMLDXEAASA-N 0 0 438.843 1.964 50 0 IDAARN CCS(=O)(=O)N(C)CCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000059118103 569459055 /nfs/dbraw/zinc/45/90/55/569459055.db2.gz CRGXDGUYFHRIEZ-GOSISDBHSA-N 0 0 433.530 1.635 50 0 IDAARN COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)c1 ZINC000032087480 569459472 /nfs/dbraw/zinc/45/94/72/569459472.db2.gz XPYGYRMNQNLDSY-KRWDZBQOSA-N 0 0 433.486 1.222 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000032092126 569459630 /nfs/dbraw/zinc/45/96/30/569459630.db2.gz KRNHKSUBURSBJI-HXUWFJFHSA-N 0 0 440.525 1.406 50 0 IDAARN COc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032101176 569460062 /nfs/dbraw/zinc/46/00/62/569460062.db2.gz XNBMHFVRCLPIQP-INIZCTEOSA-N 0 0 437.905 1.867 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2=O)c(F)c1 ZINC000032334348 569461376 /nfs/dbraw/zinc/46/13/76/569461376.db2.gz DLAHRLHXJFTRDN-GOSISDBHSA-N 0 0 440.523 1.606 50 0 IDAARN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000059488011 569461646 /nfs/dbraw/zinc/46/16/46/569461646.db2.gz VDTPQSMPHAKDCF-YRMIPTGESA-N 0 0 429.448 1.988 50 0 biogenic IDAARN C[C@H]1CN(c2ncnc3c2cnn3CCNC(=O)Cn2cnc3ccccc32)C[C@H](C)O1 ZINC000038483734 569462752 /nfs/dbraw/zinc/46/27/52/569462752.db2.gz QGPBOHSFNJALKF-HOTGVXAUSA-N 0 0 434.504 1.606 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)NCc1nc(-c2ccccc2)no1 ZINC000038488411 569463086 /nfs/dbraw/zinc/46/30/86/569463086.db2.gz HCNWYALKIMQLKP-INIZCTEOSA-N 0 0 429.502 1.768 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C3=NN=C(c4ccccc4)CS3)CC2)CC1 ZINC000038489219 569463087 /nfs/dbraw/zinc/46/30/87/569463087.db2.gz ZYYFMBTZBWDAMQ-UHFFFAOYSA-N 0 0 449.602 1.309 50 0 IDAARN COc1ccc2c(c1)CCN(S(=O)(=O)CCNC(=O)c1ccc3nsnc3c1)C2 ZINC000038579819 569464147 /nfs/dbraw/zinc/46/41/47/569464147.db2.gz OUIWOHHRIDNIJG-UHFFFAOYSA-N 0 0 432.527 1.818 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204921 569464495 /nfs/dbraw/zinc/46/44/95/569464495.db2.gz ZMKFCUJGUJAMPB-HXUWFJFHSA-N 0 0 425.464 1.824 50 0 IDAARN CC(C)(C)NC(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O ZINC000067225608 569465136 /nfs/dbraw/zinc/46/51/36/569465136.db2.gz ZLJBLHIDHXXJAN-UHFFFAOYSA-N 0 0 432.550 1.263 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)c3s2)CC1 ZINC000067225997 569465186 /nfs/dbraw/zinc/46/51/86/569465186.db2.gz KFRNUMLAORXJIA-QGZVFWFLSA-N 0 0 438.557 1.799 50 0 IDAARN Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)N2CCCc3ccccc32)c1=O ZINC000067226388 569465286 /nfs/dbraw/zinc/46/52/86/569465286.db2.gz QDQUEUMUYWZCMS-UHFFFAOYSA-N 0 0 425.514 1.736 50 0 IDAARN COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCOCC3)c2=O)cc1Cl ZINC000067245862 569465943 /nfs/dbraw/zinc/46/59/43/569465943.db2.gz VPHDUWWFNOCPLH-UHFFFAOYSA-N 0 0 441.893 1.170 50 0 IDAARN CCn1cc(C(=O)NCCOC)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338592 569469000 /nfs/dbraw/zinc/46/90/00/569469000.db2.gz MESFMGJAPVYDQE-UHFFFAOYSA-N 0 0 449.577 1.407 50 0 IDAARN O=C(CCC1=NS(=O)(=O)c2ccccc2N1)NCCN1CCN(c2ccccc2)CC1 ZINC000067349751 569469051 /nfs/dbraw/zinc/46/90/51/569469051.db2.gz ZFLBIMFTWLMFTM-UHFFFAOYSA-N 0 0 441.557 1.918 50 0 IDAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000038908041 569469392 /nfs/dbraw/zinc/46/93/92/569469392.db2.gz FDXWATLYSDYUCX-UHFFFAOYSA-N 0 0 425.514 1.395 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 ZINC000008650484 569469681 /nfs/dbraw/zinc/46/96/81/569469681.db2.gz CIABTCCPTUMUTO-UHFFFAOYSA-N 0 0 433.486 1.185 50 0 IDAARN Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000008659280 569469719 /nfs/dbraw/zinc/46/97/19/569469719.db2.gz ZZGFHUYKUJAFQJ-UHFFFAOYSA-N 0 0 438.922 1.691 50 0 IDAARN CCOC(=O)Cn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC000008706203 569470528 /nfs/dbraw/zinc/47/05/28/569470528.db2.gz ICZFBJHXORENNV-UHFFFAOYSA-N 0 0 427.436 1.517 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccccc2OC)n(C)c1=O ZINC000008708907 569470758 /nfs/dbraw/zinc/47/07/58/569470758.db2.gz BOMKLGZMPSZXJM-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n2C)c(OC)c1 ZINC000008708916 569470760 /nfs/dbraw/zinc/47/07/60/569470760.db2.gz DJUFUAXJZXCHGC-ZDUSSCGKSA-N 0 0 439.472 1.923 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1C ZINC000008723776 569471914 /nfs/dbraw/zinc/47/19/14/569471914.db2.gz PEIJFJBVRAJPFY-SOUVJXGZSA-N 0 0 430.457 1.874 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)n1CCOCCO ZINC000008725036 569472108 /nfs/dbraw/zinc/47/21/08/569472108.db2.gz PBUATJFVDLFSEA-UHFFFAOYSA-N 0 0 425.489 1.132 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1cc2c(s1)CCC2 ZINC000008748602 569473205 /nfs/dbraw/zinc/47/32/05/569473205.db2.gz YSHPORJTLZLNAU-CQSZACIVSA-N 0 0 440.568 1.955 50 0 IDAARN COCCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCCOC)[C@H]1c1ccc(Cl)cc1 ZINC000008753100 569473645 /nfs/dbraw/zinc/47/36/45/569473645.db2.gz XDEMGJMCDOZVRB-OOSNJVJTSA-N 0 0 442.892 1.759 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000008753954 569473788 /nfs/dbraw/zinc/47/37/88/569473788.db2.gz VRPZHVDUVXYZOH-UHFFFAOYSA-N 0 0 441.513 1.813 50 0 IDAARN CCOC(=O)C(C(=O)OCC)=c1s/c(=C/c2ccc(O)cc2)c(=O)n1-c1ccccc1 ZINC000008756033 569474034 /nfs/dbraw/zinc/47/40/34/569474034.db2.gz HDGPXDLXSRTLMS-NBVRZTHBSA-N 0 0 439.489 1.710 50 0 IDAARN O=C(C[C@@H]1CCS(=O)(=O)C1)OCCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000008763855 569474524 /nfs/dbraw/zinc/47/45/24/569474524.db2.gz NVQZAASFFMGAGA-NSHDSACASA-N 0 0 444.303 1.803 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)C1 ZINC000008775074 569475341 /nfs/dbraw/zinc/47/53/41/569475341.db2.gz CDTJDXNIAPKPFV-QGZVFWFLSA-N 0 0 439.516 1.570 50 0 IDAARN COCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008790362 569476045 /nfs/dbraw/zinc/47/60/45/569476045.db2.gz BOBSNKWYXIJIFZ-PRPYNDMISA-N 0 0 446.507 1.905 50 0 biogenic IDAARN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2nn(CC)c(=O)c3ccccc32)CC1 ZINC000008806702 569476479 /nfs/dbraw/zinc/47/64/79/569476479.db2.gz IUHIXFRRZUCBRG-AWEZNQCLSA-N 0 0 429.473 1.763 50 0 IDAARN Cn1c2nc(SCCO)n(C[C@@H](O)COc3cccc4ccccc43)c2c(=O)[nH]c1=O ZINC000008809358 569476540 /nfs/dbraw/zinc/47/65/40/569476540.db2.gz XFVHRQYSBUFSPR-CQSZACIVSA-N 0 0 442.497 1.101 50 0 IDAARN COc1ccc(CC(=O)NCCOc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000008825442 569477397 /nfs/dbraw/zinc/47/73/97/569477397.db2.gz HNGVUCMPZOMPJO-UHFFFAOYSA-N 0 0 448.541 1.762 50 0 IDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 ZINC000008825785 569477439 /nfs/dbraw/zinc/47/74/39/569477439.db2.gz DOUKPJNAFSTDFR-UHFFFAOYSA-N 0 0 436.461 1.169 50 0 IDAARN COc1ccc(N2CCn3c2nn(CC(=O)NCc2ccc(F)cc2)c(=O)c3=O)cc1 ZINC000008849209 569479182 /nfs/dbraw/zinc/47/91/82/569479182.db2.gz OKDMJPFNWAPUBI-UHFFFAOYSA-N 0 0 425.420 1.021 50 0 IDAARN O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)Nc1ccc(Br)cc1 ZINC000008848797 569479209 /nfs/dbraw/zinc/47/92/09/569479209.db2.gz VJSTWDIRHQPFTB-UHFFFAOYSA-N 0 0 442.273 1.958 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)c1 ZINC000008848934 569479221 /nfs/dbraw/zinc/47/92/21/569479221.db2.gz GNDABQKAAYFTTB-UHFFFAOYSA-N 0 0 438.419 1.293 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCCc4ccccc42)c(=O)c3=O)cc1 ZINC000008849374 569479235 /nfs/dbraw/zinc/47/92/35/569479235.db2.gz PWDNCOSOBIVXSD-UHFFFAOYSA-N 0 0 447.495 1.935 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)c(OC)c1 ZINC000008849678 569479270 /nfs/dbraw/zinc/47/92/70/569479270.db2.gz LXPHUZJHALYLFS-UHFFFAOYSA-N 0 0 437.456 1.521 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)cc1 ZINC000008849712 569479314 /nfs/dbraw/zinc/47/93/14/569479314.db2.gz JERSQWKQLJQEPD-UHFFFAOYSA-N 0 0 435.440 1.290 50 0 IDAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1=O ZINC000008862198 569480165 /nfs/dbraw/zinc/48/01/65/569480165.db2.gz LSKYFFKJYJUOKT-FQEVSTJZSA-N 0 0 429.502 1.792 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000008870929 569480644 /nfs/dbraw/zinc/48/06/44/569480644.db2.gz NFSHDLYDNGLSFB-UHFFFAOYSA-N 0 0 449.554 1.581 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(C)C)s3)cc2)CC1 ZINC000008870925 569480665 /nfs/dbraw/zinc/48/06/65/569480665.db2.gz KBQHLWOOBFVVRX-UHFFFAOYSA-N 0 0 437.547 1.767 50 0 IDAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000008877565 569481192 /nfs/dbraw/zinc/48/11/92/569481192.db2.gz CTWSYDXRUUGDTC-UHFFFAOYSA-N 0 0 435.480 1.714 50 0 IDAARN O=C(COc1ccc(N2CCN(c3ccccn3)CC2)nn1)N1CCOc2ccccc2C1 ZINC000014990567 569481544 /nfs/dbraw/zinc/48/15/44/569481544.db2.gz QMVUMEAMSBINHH-UHFFFAOYSA-N 0 0 446.511 1.998 50 0 IDAARN O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1CCCN1CCOCC1 ZINC000039383811 569481585 /nfs/dbraw/zinc/48/15/85/569481585.db2.gz YJHKFUJGZLZYEE-UHFFFAOYSA-N 0 0 434.544 1.840 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H](c1cccs1)N1CCOCC1)C2=O ZINC000068783151 569482019 /nfs/dbraw/zinc/48/20/19/569482019.db2.gz OMBTXRBPJZOEOW-XFQAVAEZSA-N 0 0 434.562 1.738 50 0 IDAARN COc1cccc([C@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)c1OC ZINC000039976519 569482203 /nfs/dbraw/zinc/48/22/03/569482203.db2.gz CYHPEICRNQVRSB-HNNXBMFYSA-N 0 0 433.895 1.407 50 0 IDAARN CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000039984849 569482332 /nfs/dbraw/zinc/48/23/32/569482332.db2.gz IDIUGUJOXMHIRR-MRXNPFEDSA-N 0 0 436.983 1.680 50 0 IDAARN CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000039984851 569482338 /nfs/dbraw/zinc/48/23/38/569482338.db2.gz IDIUGUJOXMHIRR-INIZCTEOSA-N 0 0 436.983 1.680 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000040013173 569482564 /nfs/dbraw/zinc/48/25/64/569482564.db2.gz JOAUPGRUTFHEBX-INIZCTEOSA-N 0 0 438.550 1.306 50 0 IDAARN COC(=O)[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C ZINC000040012891 569482576 /nfs/dbraw/zinc/48/25/76/569482576.db2.gz IBARDHRNRXRCBT-CQSZACIVSA-N 0 0 436.534 1.358 50 0 IDAARN C[C@H](NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)CCCC2 ZINC000008898837 569484019 /nfs/dbraw/zinc/48/40/19/569484019.db2.gz ZEEJQFSPLJGGOB-LBPRGKRZSA-N 0 0 429.908 1.843 50 0 IDAARN CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000040051430 569484381 /nfs/dbraw/zinc/48/43/81/569484381.db2.gz VCMMRYCHLYOPCE-UHFFFAOYSA-N 0 0 437.440 1.238 50 0 IDAARN O=C(NCCn1ccnc1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000040051390 569484405 /nfs/dbraw/zinc/48/44/05/569484405.db2.gz HDQPCGHRJUGTAQ-UHFFFAOYSA-N 0 0 446.451 1.999 50 0 IDAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000040052471 569484576 /nfs/dbraw/zinc/48/45/76/569484576.db2.gz LKWFYVMQAMIOCU-UHFFFAOYSA-N 0 0 428.399 1.649 50 0 IDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O ZINC000008922958 569487014 /nfs/dbraw/zinc/48/70/14/569487014.db2.gz MAXCYNYYCPOYTK-FQEVSTJZSA-N 0 0 428.518 1.985 50 0 IDAARN CC[C@@H](CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000008926307 569487238 /nfs/dbraw/zinc/48/72/38/569487238.db2.gz ADKZLPSUQMFQGQ-JTQLQIEISA-N 0 0 426.304 1.972 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)CC1 ZINC000008933779 569487859 /nfs/dbraw/zinc/48/78/59/569487859.db2.gz SEEJPWRJNNBQGS-CQSZACIVSA-N 0 0 448.549 1.413 50 0 IDAARN Cc1cccc(C(=O)NCCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000008938881 569488230 /nfs/dbraw/zinc/48/82/30/569488230.db2.gz URPDCQQGMFDWMU-UHFFFAOYSA-N 0 0 449.504 1.914 50 0 IDAARN COc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000040105900 569488302 /nfs/dbraw/zinc/48/83/02/569488302.db2.gz YTLLUXAOMVVJJL-CQSZACIVSA-N 0 0 440.543 1.888 50 0 IDAARN O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000040107055 569488417 /nfs/dbraw/zinc/48/84/17/569488417.db2.gz DOGCEPYAOGBJTH-IAGOWNOFSA-N 0 0 426.477 1.261 50 0 IDAARN O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000040107054 569488453 /nfs/dbraw/zinc/48/84/53/569488453.db2.gz DOGCEPYAOGBJTH-IRXDYDNUSA-N 0 0 426.477 1.261 50 0 IDAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000008941419 569488621 /nfs/dbraw/zinc/48/86/21/569488621.db2.gz MIBZDDDFLRETTE-GFCCVEGCSA-N 0 0 430.313 1.881 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)C(C)C)cc1 ZINC000008942676 569488690 /nfs/dbraw/zinc/48/86/90/569488690.db2.gz XAQRTJZDLSURRZ-MDZRGWNJSA-N 0 0 426.535 1.477 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)o1 ZINC000040116497 569489286 /nfs/dbraw/zinc/48/92/86/569489286.db2.gz KDECNLTUWXAADK-LJQANCHMSA-N 0 0 435.458 1.312 50 0 IDAARN Cc1cc(C(=O)N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(Br)cc3)CC2)on1 ZINC000040122777 569489617 /nfs/dbraw/zinc/48/96/17/569489617.db2.gz AAQBYORUWNGLEY-CYBMUJFWSA-N 0 0 449.305 1.848 50 0 IDAARN CCOc1ccccc1CN(C[C@@H](C)O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000040138948 569490771 /nfs/dbraw/zinc/49/07/71/569490771.db2.gz QUYNDNAOGSDYSW-MRXNPFEDSA-N 0 0 435.546 1.868 50 0 IDAARN Cc1c(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cnn1[C@@H]1CCS(=O)(=O)C1 ZINC000040141412 569491707 /nfs/dbraw/zinc/49/17/07/569491707.db2.gz FXNXSADPVPKQCV-MRXNPFEDSA-N 0 0 427.486 1.768 50 0 IDAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(CC(=O)N2CCOCC2)s1 ZINC000008966271 569491732 /nfs/dbraw/zinc/49/17/32/569491732.db2.gz CNIPPEFENYZCFA-UHFFFAOYSA-N 0 0 433.486 1.066 50 0 IDAARN C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@@H](C)O1 ZINC000040142423 569491878 /nfs/dbraw/zinc/49/18/78/569491878.db2.gz ISANZPJVBRNCNT-HUUCEWRRSA-N 0 0 437.500 1.161 50 0 IDAARN Cn1cc(-c2nc(C(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)cs2)cn1 ZINC000040145174 569492078 /nfs/dbraw/zinc/49/20/78/569492078.db2.gz DZVKLNNECXNTGU-UHFFFAOYSA-N 0 0 438.579 1.422 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCSC(F)(F)F)c1 ZINC000040146341 569492270 /nfs/dbraw/zinc/49/22/70/569492270.db2.gz LBOSYGNUCMNXGD-UHFFFAOYSA-N 0 0 441.497 1.756 50 0 IDAARN O=C(CN1CCC[C@H](C(=O)Nc2ccccn2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000040149566 569492569 /nfs/dbraw/zinc/49/25/69/569492569.db2.gz SKDWMJANEMIUMJ-AWEZNQCLSA-N 0 0 425.445 1.809 50 0 IDAARN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000040149821 569492645 /nfs/dbraw/zinc/49/26/45/569492645.db2.gz YARKVDSOBWHZTC-KRWDZBQOSA-N 0 0 438.550 1.703 50 0 IDAARN COC(=O)CCN(CC(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000040151673 569493377 /nfs/dbraw/zinc/49/33/77/569493377.db2.gz FFSGJMIZHNWQOA-UHFFFAOYSA-N 0 0 442.534 1.377 50 0 IDAARN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000040152483 569493480 /nfs/dbraw/zinc/49/34/80/569493480.db2.gz OROJIFAKFXUCCL-UHFFFAOYSA-N 0 0 431.493 1.940 50 0 IDAARN COC(=O)c1cn([C@H]2CCCC[C@H]2NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nn1 ZINC000040152508 569493510 /nfs/dbraw/zinc/49/35/10/569493510.db2.gz TUDJJWLHMPJTJQ-ZBFHGGJFSA-N 0 0 446.508 1.262 50 0 IDAARN COC(=O)CCN(CC(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000040156812 569494201 /nfs/dbraw/zinc/49/42/01/569494201.db2.gz NMWPQZWGTVNBJY-UHFFFAOYSA-N 0 0 442.534 1.377 50 0 IDAARN CN(C)CCN(c1cccc(Br)c1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000040158386 569494614 /nfs/dbraw/zinc/49/46/14/569494614.db2.gz OOCCQWZNVJDSHK-UHFFFAOYSA-N 0 0 429.340 1.643 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)cc1 ZINC000040160237 569495085 /nfs/dbraw/zinc/49/50/85/569495085.db2.gz AVVFBDAOUNUJEY-UHFFFAOYSA-N 0 0 445.497 1.526 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000040160700 569495110 /nfs/dbraw/zinc/49/51/10/569495110.db2.gz FDZHVDDZXSXXFT-SFHVURJKSA-N 0 0 448.541 1.594 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccncc1 ZINC000008991045 569495282 /nfs/dbraw/zinc/49/52/82/569495282.db2.gz FNEPXKDMAAULBG-INIZCTEOSA-N 0 0 434.493 1.054 50 0 IDAARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 ZINC000008995802 569495718 /nfs/dbraw/zinc/49/57/18/569495718.db2.gz UXFSOUTUHAOUSO-VLIAUNLRSA-N 0 0 427.457 1.818 50 0 IDAARN COc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)c(OC)c1 ZINC000009001070 569495972 /nfs/dbraw/zinc/49/59/72/569495972.db2.gz PSYLDDVOIWDWCU-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)c1 ZINC000009001356 569496024 /nfs/dbraw/zinc/49/60/24/569496024.db2.gz SKOJKHKKYGRLAH-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCO1 ZINC000244983751 569496787 /nfs/dbraw/zinc/49/67/87/569496787.db2.gz IPOJHGIIGWHNFZ-LSDHHAIUSA-N 0 0 429.564 1.093 50 0 IDAARN O=C(NCCn1cc(-c2nc(-c3cccnc3)no2)nn1)c1cncc(Br)c1 ZINC000245020812 569496967 /nfs/dbraw/zinc/49/69/67/569496967.db2.gz MIJOEFJYQOVQMW-UHFFFAOYSA-N 0 0 441.249 1.978 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000245039161 569497019 /nfs/dbraw/zinc/49/70/19/569497019.db2.gz OIMMMHOBHQVJNK-ZWKOTPCHSA-N 0 0 437.562 1.340 50 0 IDAARN O=C(C1CN(c2cc(-c3ccccc3)ncn2)C1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000245060708 569497111 /nfs/dbraw/zinc/49/71/11/569497111.db2.gz PXFQSFHMOVAQOW-UHFFFAOYSA-N 0 0 427.530 1.216 50 0 IDAARN Cc1cc(NC(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)n(-c2ccccc2)n1 ZINC000009032759 569497125 /nfs/dbraw/zinc/49/71/25/569497125.db2.gz BOGUEAYHVDLFME-UHFFFAOYSA-N 0 0 433.424 1.366 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 ZINC000009037444 569497378 /nfs/dbraw/zinc/49/73/78/569497378.db2.gz NQFQFKHXVSBNGI-CYBMUJFWSA-N 0 0 434.470 1.764 50 0 IDAARN CC(C)[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O ZINC000040268368 569497500 /nfs/dbraw/zinc/49/75/00/569497500.db2.gz 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O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000009053106 569498796 /nfs/dbraw/zinc/49/87/96/569498796.db2.gz SZXFXSAWSXFYHX-UHFFFAOYSA-N 0 0 440.319 1.144 50 0 IDAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccccn1 ZINC000009061034 569499510 /nfs/dbraw/zinc/49/95/10/569499510.db2.gz VOLJLRKDTUYZSR-HNNXBMFYSA-N 0 0 448.520 1.443 50 0 IDAARN O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCOCC1)Cc1ccncc1 ZINC000009061060 569499538 /nfs/dbraw/zinc/49/95/38/569499538.db2.gz ZCPBOKRVBMDJAE-UHFFFAOYSA-N 0 0 442.925 1.346 50 0 IDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1cccnc1 ZINC000009061118 569499623 /nfs/dbraw/zinc/49/96/23/569499623.db2.gz WCLXDMXPPXLNJI-WMZOPIPTSA-N 0 0 430.530 1.303 50 0 IDAARN CN1C(=O)c2cccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C1=O ZINC000009066340 569499899 /nfs/dbraw/zinc/49/98/99/569499899.db2.gz DAPXZDMQQYXPEK-INIZCTEOSA-N 0 0 431.445 1.843 50 0 IDAARN O=C(NC[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009068311 569499991 /nfs/dbraw/zinc/49/99/91/569499991.db2.gz GSHWHNWUWASULX-GOSISDBHSA-N 0 0 445.497 1.463 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009089370 569500892 /nfs/dbraw/zinc/50/08/92/569500892.db2.gz CJZPAUFXEUMAKP-GOSISDBHSA-N 0 0 449.511 1.808 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nncn2-c2ccccc2F)cc1 ZINC000009127039 569505127 /nfs/dbraw/zinc/50/51/27/569505127.db2.gz BXHOKTQNXORHPE-UHFFFAOYSA-N 0 0 435.506 1.505 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3nc(-c4c[nH]c5ccccc54)cs3)c2c(=O)n(C)c1=O ZINC000009127906 569505249 /nfs/dbraw/zinc/50/52/49/569505249.db2.gz FWUJZOLBPWHAMK-UHFFFAOYSA-N 0 0 435.469 1.677 50 0 IDAARN CCOc1ncccc1C(=O)NCC(=O)Nc1cnn(C(=O)c2cccnc2OCC)c1 ZINC000069452414 569506537 /nfs/dbraw/zinc/50/65/37/569506537.db2.gz XFFDAMLUUSLXIE-UHFFFAOYSA-N 0 0 438.444 1.528 50 0 IDAARN O=C(Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3)NCCCO ZINC000009133924 569507010 /nfs/dbraw/zinc/50/70/10/569507010.db2.gz LPIUSCFJXCHJHX-UHFFFAOYSA-N 0 0 427.526 1.650 50 0 IDAARN COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1)C(C)C ZINC000009134448 569507036 /nfs/dbraw/zinc/50/70/36/569507036.db2.gz ZYZIQSCTBYZYAP-QAPCUYQASA-N 0 0 439.534 1.360 50 0 IDAARN COC(=O)c1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000009151675 569507546 /nfs/dbraw/zinc/50/75/46/569507546.db2.gz QEAVQXFPEIDBMA-GFCCVEGCSA-N 0 0 432.454 1.995 50 0 IDAARN CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)CC1 ZINC000009153055 569508002 /nfs/dbraw/zinc/50/80/02/569508002.db2.gz BNSVOIOUANCSDH-UHFFFAOYSA-N 0 0 434.474 1.579 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)NCCc1ccccc1F)c(=O)n2Cc1ccccc1 ZINC000009155593 569508307 /nfs/dbraw/zinc/50/83/07/569508307.db2.gz UZQOPIKYHAJSDK-UHFFFAOYSA-N 0 0 449.486 1.926 50 0 IDAARN Cn1c(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)nc2ccccc21 ZINC000009157020 569508422 /nfs/dbraw/zinc/50/84/22/569508422.db2.gz JQFHTRYNSDKQSK-MRXNPFEDSA-N 0 0 428.514 1.961 50 0 IDAARN C[C@@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009161857 569508784 /nfs/dbraw/zinc/50/87/84/569508784.db2.gz CNAZYGMDGCHVOP-BMFZPTHFSA-N 0 0 430.457 1.529 50 0 IDAARN C[C@]1(CSc2ccccc2C(=O)NC[C@@H]2COc3ccccc3O2)NC(=O)NC1=O ZINC000009167207 569508988 /nfs/dbraw/zinc/50/89/88/569508988.db2.gz FRBIYJMSRHXZGD-LRTDBIEQSA-N 0 0 427.482 1.947 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000009168385 569509154 /nfs/dbraw/zinc/50/91/54/569509154.db2.gz ZVDWGTIHTPKEER-NRFANRHFSA-N 0 0 425.397 1.592 50 0 IDAARN CSCC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NC(C)C ZINC000009184336 569509918 /nfs/dbraw/zinc/50/99/18/569509918.db2.gz CWXDBPZHXNPUCW-AEFFLSMTSA-N 0 0 441.619 1.850 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@@]12c1ccccc1N(C)C2=O ZINC000009189932 569510506 /nfs/dbraw/zinc/51/05/06/569510506.db2.gz PUOWCWVVJSTFJV-DEOSSOPVSA-N 0 0 447.447 1.796 50 0 IDAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccncc1)C1CC1 ZINC000009205113 569511364 /nfs/dbraw/zinc/51/13/64/569511364.db2.gz XBDKVKXOIIHUOL-UHFFFAOYSA-N 0 0 437.543 1.456 50 0 IDAARN Cc1cc(O)c2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 ZINC000009215854 569512022 /nfs/dbraw/zinc/51/20/22/569512022.db2.gz YFKSNNCROMAJFX-UHFFFAOYSA-N 0 0 430.482 1.664 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(=O)[nH]c1=O ZINC000009223220 569512870 /nfs/dbraw/zinc/51/28/70/569512870.db2.gz YUUZINTYMCYYEH-UHFFFAOYSA-N 0 0 448.480 1.863 50 0 IDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(OC)ccc3OC)c2N)cc1 ZINC000009226934 569513352 /nfs/dbraw/zinc/51/33/52/569513352.db2.gz CCFNVHFUGDJQHK-UHFFFAOYSA-N 0 0 426.433 1.777 50 0 IDAARN CC(=O)Cn1c(Br)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C ZINC000069701131 569513728 /nfs/dbraw/zinc/51/37/28/569513728.db2.gz BHEDGTXWHVFUBD-UHFFFAOYSA-N 0 0 425.670 1.950 50 0 IDAARN COCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 ZINC000009238842 569514388 /nfs/dbraw/zinc/51/43/88/569514388.db2.gz BKQNPSOSMFNWNO-UONOGXRCSA-N 0 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ZINC000009600063 569551406 /nfs/dbraw/zinc/55/14/06/569551406.db2.gz CGPANQICVUUKMX-UHFFFAOYSA-N 0 0 427.533 1.152 50 0 IDAARN O=C(NCc1ccccc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009600442 569551480 /nfs/dbraw/zinc/55/14/80/569551480.db2.gz JWQNNDOKCKNIHN-QGZVFWFLSA-N 0 0 437.905 1.120 50 0 IDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1 ZINC000009600273 569551488 /nfs/dbraw/zinc/55/14/88/569551488.db2.gz HHHIWLHUVRKHSJ-KRWDZBQOSA-N 0 0 437.905 1.120 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnc4sccn4c3=O)CC2)cc1 ZINC000009605829 569551917 /nfs/dbraw/zinc/55/19/17/569551917.db2.gz BZISGDLLWSUATI-UHFFFAOYSA-N 0 0 432.527 1.601 50 0 IDAARN CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000009608470 569552149 /nfs/dbraw/zinc/55/21/49/569552149.db2.gz GEUDIEDAPORWIR-UHFFFAOYSA-N 0 0 441.560 1.794 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000009608466 569552159 /nfs/dbraw/zinc/55/21/59/569552159.db2.gz GFCIYTQKWVGKAU-UHFFFAOYSA-N 0 0 431.470 1.617 50 0 IDAARN CCN(CCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000009608532 569552172 /nfs/dbraw/zinc/55/21/72/569552172.db2.gz NUYWQUHMSCPGFG-UHFFFAOYSA-N 0 0 444.557 1.835 50 0 IDAARN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)NC(=O)NC1CCCCC1 ZINC000009609386 569552329 /nfs/dbraw/zinc/55/23/29/569552329.db2.gz YWJUNQBAXDMCPB-UHFFFAOYSA-N 0 0 442.563 1.353 50 0 IDAARN CCCCCC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000009613751 569553039 /nfs/dbraw/zinc/55/30/39/569553039.db2.gz ZHYCUHTTYBPZSH-HNNXBMFYSA-N 0 0 427.571 1.499 50 0 IDAARN COc1ccc(Cn2nnnc2SCCN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000009620439 569553469 /nfs/dbraw/zinc/55/34/69/569553469.db2.gz IGEJHFWSLZTKNV-UHFFFAOYSA-N 0 0 431.499 1.667 50 0 IDAARN O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000009632229 569553967 /nfs/dbraw/zinc/55/39/67/569553967.db2.gz YGJTXRXNAFGQRC-FQEVSTJZSA-N 0 0 446.481 1.131 50 0 IDAARN Cc1cc(C)nc(SCC(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000009634458 569554473 /nfs/dbraw/zinc/55/44/73/569554473.db2.gz RKTXQYZRQHVZLB-UHFFFAOYSA-N 0 0 437.543 1.950 50 0 IDAARN CC[C@H](C)N(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009634661 569554518 /nfs/dbraw/zinc/55/45/18/569554518.db2.gz BKQNPAHAWGUXCE-DZGCQCFKSA-N 0 0 431.532 1.061 50 0 IDAARN Cn1c2ncn(CCCC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c2c(=O)n(C)c1=O ZINC000009635245 569554630 /nfs/dbraw/zinc/55/46/30/569554630.db2.gz UZOVJEUBOMALBN-UHFFFAOYSA-N 0 0 439.472 1.894 50 0 IDAARN Cc1ccccc1-n1cnnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009635581 569554690 /nfs/dbraw/zinc/55/46/90/569554690.db2.gz JKANLOZPCIGHTE-UHFFFAOYSA-N 0 0 431.543 1.674 50 0 IDAARN O=C(OCc1cc(=O)n2ccsc2n1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009637822 569554848 /nfs/dbraw/zinc/55/48/48/569554848.db2.gz WCJLZGDYBCNOLT-LBPRGKRZSA-N 0 0 427.438 1.624 50 0 IDAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009638950 569555107 /nfs/dbraw/zinc/55/51/07/569555107.db2.gz ORQPOAXSKBDCCT-INIZCTEOSA-N 0 0 445.526 1.680 50 0 IDAARN O=C1CCCN1c1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009645945 569556214 /nfs/dbraw/zinc/55/62/14/569556214.db2.gz LDELONGIPLCKHV-IAGOWNOFSA-N 0 0 442.559 1.170 50 0 IDAARN CCCn1c(N)c(N(CCOC)C(=O)CN2c3ccccc3CC[C@H]2C)c(=O)[nH]c1=O ZINC000009647723 569556424 /nfs/dbraw/zinc/55/64/24/569556424.db2.gz AJCAOOKNQQHEHL-OAHLLOKOSA-N 0 0 429.521 1.350 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 ZINC000009660909 569556948 /nfs/dbraw/zinc/55/69/48/569556948.db2.gz VOOXEESURILFQF-UHFFFAOYSA-N 0 0 444.488 1.730 50 0 IDAARN CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009665597 569557561 /nfs/dbraw/zinc/55/75/61/569557561.db2.gz RVAVOCWUGQBIKN-VLIAUNLRSA-N 0 0 433.486 1.235 50 0 IDAARN O=C(COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)NCc1ccco1 ZINC000009671579 569558567 /nfs/dbraw/zinc/55/85/67/569558567.db2.gz DPZVOIJOSRNKSD-UHFFFAOYSA-N 0 0 431.470 1.300 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCS[C@@H]2c2ccccc2F)c1 ZINC000009671855 569558655 /nfs/dbraw/zinc/55/86/55/569558655.db2.gz RRHPJQRYBBOQDY-GOSISDBHSA-N 0 0 425.507 1.512 50 0 IDAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683884 569560443 /nfs/dbraw/zinc/56/04/43/569560443.db2.gz SNVXWUCGBYBZJG-HXUWFJFHSA-N 0 0 446.481 1.689 50 0 IDAARN CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)s1 ZINC000009688681 569560822 /nfs/dbraw/zinc/56/08/22/569560822.db2.gz IGTGWEKMGFSDRA-UHFFFAOYSA-N 0 0 429.505 1.344 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3Cc2ccc(OC)cc2)n(C)c1=O ZINC000009713000 569562413 /nfs/dbraw/zinc/56/24/13/569562413.db2.gz RHJUOMVSEDGQSL-UHFFFAOYSA-N 0 0 425.445 1.078 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n2cc(C)n3-c2cc(C)ccc2OC)n(C)c1=O ZINC000009713093 569562502 /nfs/dbraw/zinc/56/25/02/569562502.db2.gz SJDVIKVJIKXNHG-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1cc(F)ccc1F ZINC000070902521 569562622 /nfs/dbraw/zinc/56/26/22/569562622.db2.gz ZITRIZOGSNSKJA-UHFFFAOYSA-N 0 0 438.456 1.515 50 0 IDAARN O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCOCC1 ZINC000009713557 569562662 /nfs/dbraw/zinc/56/26/62/569562662.db2.gz HJGJKMUTGFSMRW-UHFFFAOYSA-N 0 0 437.500 1.382 50 0 IDAARN Cn1cc(C(=O)NCc2cccs2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009724649 569563701 /nfs/dbraw/zinc/56/37/01/569563701.db2.gz ZNVMDRMRPQDKFT-UHFFFAOYSA-N 0 0 447.538 1.551 50 0 IDAARN Cn1cc(C(=O)NC[C@@H]2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009724495 569563710 /nfs/dbraw/zinc/56/37/10/569563710.db2.gz PAZIQEWYDLLWBW-HNNXBMFYSA-N 0 0 433.530 1.622 50 0 IDAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCCC4=O)nc(C)n3n2)cc1 ZINC000009727714 569564048 /nfs/dbraw/zinc/56/40/48/569564048.db2.gz ZYNWPJKFPKZOCS-UHFFFAOYSA-N 0 0 436.516 1.558 50 0 IDAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000009727628 569564060 /nfs/dbraw/zinc/56/40/60/569564060.db2.gz YCBLFBNMBAXGAZ-HNAYVOBHSA-N 0 0 439.921 1.285 50 0 IDAARN Cc1cc(C)n(CCCNC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)n1 ZINC000009730242 569564379 /nfs/dbraw/zinc/56/43/79/569564379.db2.gz LGJXNZRDDUYEIM-UHFFFAOYSA-N 0 0 428.522 1.574 50 0 IDAARN Cn1c2ncn(CC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)c2c(=O)n(C)c1=O ZINC000009731568 569564618 /nfs/dbraw/zinc/56/46/18/569564618.db2.gz ZZLFJLGNWIZKGK-CYBMUJFWSA-N 0 0 438.469 1.466 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)c2c(=O)n(C)c1=O ZINC000009731570 569564652 /nfs/dbraw/zinc/56/46/52/569564652.db2.gz DIAGBKWDEHRYES-UHFFFAOYSA-N 0 0 425.445 1.504 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2NC(=O)C2=CSCCO2)cc1 ZINC000009739141 569564937 /nfs/dbraw/zinc/56/49/37/569564937.db2.gz HZHMYKDDIREGGA-UHFFFAOYSA-N 0 0 447.538 1.850 50 0 IDAARN COc1ccc(-c2nc3c([nH]c(=O)n3-c3ccc4c(c3)OCO4)c(C(N)=O)n2)c(OC)c1 ZINC000009739544 569565067 /nfs/dbraw/zinc/56/50/67/569565067.db2.gz GIGDEJGGTKLVCU-UHFFFAOYSA-N 0 0 435.396 1.621 50 0 IDAARN CN(c1ccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1)S(C)(=O)=O ZINC000009762609 569566534 /nfs/dbraw/zinc/56/65/34/569566534.db2.gz CXJGXBJJVODSOD-NRFANRHFSA-N 0 0 443.481 1.495 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccccc2C)S(=O)(=O)c2ccccc2)CC1 ZINC000009764193 569566728 /nfs/dbraw/zinc/56/67/28/569566728.db2.gz YBMRNLICBFYVHP-OAQYLSRUSA-N 0 0 443.525 1.216 50 0 IDAARN CN(CC(=O)NCc1ccco1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000009765852 569566819 /nfs/dbraw/zinc/56/68/19/569566819.db2.gz RKPWOUZVEAJBRB-KRWDZBQOSA-N 0 0 435.502 1.125 50 0 IDAARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 ZINC000009767437 569566893 /nfs/dbraw/zinc/56/68/93/569566893.db2.gz BMBWXPMGJRFQPE-UHFFFAOYSA-N 0 0 440.485 1.942 50 0 IDAARN O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1cccnc1 ZINC000009775585 569567007 /nfs/dbraw/zinc/56/70/07/569567007.db2.gz ORXBYVHLDIUPQE-UHFFFAOYSA-N 0 0 439.541 1.945 50 0 IDAARN CCOC(=O)c1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 ZINC000009829434 569570063 /nfs/dbraw/zinc/57/00/63/569570063.db2.gz XXOFSPXSBGEIDN-UHFFFAOYSA-N 0 0 425.445 1.270 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2cccc(Cl)c2C)n(C)c1=O ZINC000009829418 569570072 /nfs/dbraw/zinc/57/00/72/569570072.db2.gz WOWQFIQKPFJSEM-UHFFFAOYSA-N 0 0 429.864 1.972 50 0 IDAARN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1 ZINC000009831694 569570228 /nfs/dbraw/zinc/57/02/28/569570228.db2.gz ZKBZQQKVVUBOEM-CABCVRRESA-N 0 0 440.500 1.101 50 0 IDAARN C[C@@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cc2NC1=O ZINC000009834471 569570562 /nfs/dbraw/zinc/57/05/62/569570562.db2.gz WNWNWKKXHLKRIG-YTEVENLXSA-N 0 0 436.424 1.574 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)c1 ZINC000009857440 569571638 /nfs/dbraw/zinc/57/16/38/569571638.db2.gz JSMSSAZZAUJQMZ-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN C[C@H]1C[C@@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)O1 ZINC000009871033 569572358 /nfs/dbraw/zinc/57/23/58/569572358.db2.gz KMBMWDXHEFUZNW-SMDDNHRTSA-N 0 0 425.488 1.554 50 0 IDAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009871569 569572366 /nfs/dbraw/zinc/57/23/66/569572366.db2.gz BBFPDVFNVVXZTN-UHFFFAOYSA-N 0 0 429.498 1.852 50 0 IDAARN C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009871241 569572390 /nfs/dbraw/zinc/57/23/90/569572390.db2.gz ZCMOBKKHIXZBRF-UWVGGRQHSA-N 0 0 437.503 1.336 50 0 IDAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3nonc3NC(C)=O)n2C)cc1 ZINC000009878046 569572756 /nfs/dbraw/zinc/57/27/56/569572756.db2.gz QRUZBXKOCGGXLW-UHFFFAOYSA-N 0 0 431.434 1.341 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009948885 569574137 /nfs/dbraw/zinc/57/41/37/569574137.db2.gz BUCLZGDQOVSCCK-VGSWGCGISA-N 0 0 445.541 1.338 50 0 IDAARN Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009952421 569574564 /nfs/dbraw/zinc/57/45/64/569574564.db2.gz NAPBNODFUIMMLA-GJZGRUSLSA-N 0 0 439.563 1.605 50 0 IDAARN COc1ccc(NC(=O)c2ccc3nccnc3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000009952517 569574619 /nfs/dbraw/zinc/57/46/19/569574619.db2.gz XYDPMSOQAWOCNZ-UHFFFAOYSA-N 0 0 428.470 1.912 50 0 IDAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(N)=O)C1 ZINC000009960124 569575355 /nfs/dbraw/zinc/57/53/55/569575355.db2.gz JORBXLWDNOTVJV-UHFFFAOYSA-N 0 0 446.460 1.353 50 0 IDAARN C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ccccc21 ZINC000009961163 569575603 /nfs/dbraw/zinc/57/56/03/569575603.db2.gz MHLQABMGNQDORQ-AWEZNQCLSA-N 0 0 427.482 1.636 50 0 IDAARN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCO)cc1Cl ZINC000009972059 569576314 /nfs/dbraw/zinc/57/63/14/569576314.db2.gz JNBADBPAXRTSNY-UHFFFAOYSA-N 0 0 426.922 1.691 50 0 IDAARN COC(=O)c1ccc(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)o1 ZINC000009981970 569576583 /nfs/dbraw/zinc/57/65/83/569576583.db2.gz ZUBOHFUXUNCDHT-UHFFFAOYSA-N 0 0 432.454 1.971 50 0 IDAARN Cn1c2ncn(CC(=O)OCC(=O)c3ccc4c(c3)-c3ccccc3C4)c2c(=O)n(C)c1=O ZINC000010021785 569577197 /nfs/dbraw/zinc/57/71/97/569577197.db2.gz FHUDOOYYYUMFIW-UHFFFAOYSA-N 0 0 444.447 1.431 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000010031995 569577333 /nfs/dbraw/zinc/57/73/33/569577333.db2.gz RFTXRACUOYPDLU-HSZRJFAPSA-N 0 0 438.484 1.507 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)CC1 ZINC000010186745 569578500 /nfs/dbraw/zinc/57/85/00/569578500.db2.gz CFHGNJIMOVMMDW-UHFFFAOYSA-N 0 0 446.529 1.766 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2C1=O)N(CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000010212914 569578970 /nfs/dbraw/zinc/57/89/70/569578970.db2.gz KLUZRGIEQSSQPB-SFHVURJKSA-N 0 0 440.521 1.931 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CC4(CCCC4)C3=O)CC2)c(C)c1 ZINC000010213201 569579049 /nfs/dbraw/zinc/57/90/49/569579049.db2.gz DGZNJHQCVYWGPH-UHFFFAOYSA-N 0 0 447.557 1.456 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1CCOCCO ZINC000010233644 569579638 /nfs/dbraw/zinc/57/96/38/569579638.db2.gz RNTHFFAFPRPARC-UHFFFAOYSA-N 0 0 445.907 1.477 50 0 IDAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1ccccn1)CS(=O)(=O)C2 ZINC000010250596 569579771 /nfs/dbraw/zinc/57/97/71/569579771.db2.gz OLFHOIXPMNWZBK-UHFFFAOYSA-N 0 0 425.470 1.259 50 0 IDAARN C[C@@H](CSc1ncccn1)Cn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000010249169 569579800 /nfs/dbraw/zinc/57/98/00/569579800.db2.gz HDCOBHNUCYPCIF-CQSZACIVSA-N 0 0 429.550 1.878 50 0 IDAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCCOC(C)C)CS(=O)(=O)C3)cc1 ZINC000010250475 569579805 /nfs/dbraw/zinc/57/98/05/569579805.db2.gz VGKRTHSUKJGIQJ-UHFFFAOYSA-N 0 0 434.518 1.479 50 0 IDAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccn2)CS(=O)(=O)C3)c(C)c1 ZINC000010250626 569579812 /nfs/dbraw/zinc/57/98/12/569579812.db2.gz CYTULGSEKWQKHK-UHFFFAOYSA-N 0 0 439.497 1.567 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccccc2OCC)n(C)c1=O ZINC000010271890 569580049 /nfs/dbraw/zinc/58/00/49/569580049.db2.gz FEKZOBVWIZAVMY-UHFFFAOYSA-N 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CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nncn1-c1ccccc1 ZINC000095457333 569583667 /nfs/dbraw/zinc/58/36/67/569583667.db2.gz CITFVDDUXIDDBU-QGZVFWFLSA-N 0 0 438.513 2.503 50 0 IDAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(-n2nnn(CC(N)=O)c2=O)cc1 ZINC000077100168 569585377 /nfs/dbraw/zinc/58/53/77/569585377.db2.gz SQESLVPGIOZVHU-UHFFFAOYSA-N 0 0 432.440 1.719 50 0 IDAARN Cn1nc([C@@H]2CCCN(C(=O)Cn3c4ccccc4oc3=O)C2)n(-c2ccccc2)c1=O ZINC000077100587 569585431 /nfs/dbraw/zinc/58/54/31/569585431.db2.gz ZNCOSMAUFOSLHN-MRXNPFEDSA-N 0 0 433.468 1.885 50 0 IDAARN CCOC(=O)N1CCN(c2ncc3c(n2)[nH]c(=O)n(Cc2ccccc2F)c3=O)CC1 ZINC000077100729 569585447 /nfs/dbraw/zinc/58/54/47/569585447.db2.gz YMXDKDSEUPTNIP-UHFFFAOYSA-N 0 0 428.424 1.358 50 0 IDAARN CCOc1ccc(Br)cc1S(=O)(=O)NCCn1cnc(CC)cc1=O ZINC000077100928 569585472 /nfs/dbraw/zinc/58/54/72/569585472.db2.gz WNUGKPILWYBITB-UHFFFAOYSA-N 0 0 430.324 1.945 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)CC2=O)cc1 ZINC000077101281 569585600 /nfs/dbraw/zinc/58/56/00/569585600.db2.gz VOWCCHYGAWOLLM-KRWDZBQOSA-N 0 0 447.495 1.680 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)c1 ZINC000077101310 569585627 /nfs/dbraw/zinc/58/56/27/569585627.db2.gz FZPJQBVCCLPAQD-UHFFFAOYSA-N 0 0 430.486 1.498 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 ZINC000077101307 569585629 /nfs/dbraw/zinc/58/56/29/569585629.db2.gz PHBKAEYTGCPHRJ-UHFFFAOYSA-N 0 0 427.486 1.439 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2 ZINC000077154610 569585701 /nfs/dbraw/zinc/58/57/01/569585701.db2.gz YARCVPWURXVODO-UHFFFAOYSA-N 0 0 445.526 1.342 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccnc4C)nn3)CC2)cc1OC ZINC000077197073 569586144 /nfs/dbraw/zinc/58/61/44/569586144.db2.gz NQDYYUNOOKPBIA-UHFFFAOYSA-N 0 0 444.517 1.499 50 0 IDAARN CCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-n3ccnc3)ccc2=O)cc1 ZINC000077197063 569586153 /nfs/dbraw/zinc/58/61/53/569586153.db2.gz GYPPNSITBNDWNF-UHFFFAOYSA-N 0 0 430.490 1.146 50 0 IDAARN COc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(-n4nc(C)cc4C)nn3)n2)cc1 ZINC000077197150 569586159 /nfs/dbraw/zinc/58/61/59/569586159.db2.gz LFNRBBCUJUPXRR-UHFFFAOYSA-N 0 0 445.483 1.941 50 0 IDAARN COc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)N2CCC(C)CC2)C3)c1OC ZINC000034792725 569587653 /nfs/dbraw/zinc/58/76/53/569587653.db2.gz NFVIHQICULAHRM-FQEVSTJZSA-N 0 0 442.516 1.755 50 0 IDAARN CCOCC(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2C1 ZINC000034831970 569587655 /nfs/dbraw/zinc/58/76/55/569587655.db2.gz YUTXDLVPHNTMNZ-UHFFFAOYSA-N 0 0 425.533 1.910 50 0 IDAARN CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000000637237 193866013 /nfs/dbraw/zinc/86/60/13/193866013.db2.gz OFJXVAYQYXWDET-UONOGXRCSA-N 0 0 431.493 1.093 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000006081281 193878249 /nfs/dbraw/zinc/87/82/49/193878249.db2.gz YUAUNVQUHALXCP-CQSZACIVSA-N 0 0 425.507 1.067 50 0 IDAARN COc1ccc(CC(=O)N=c2[nH]c3ccccc3[nH]2)cc1S(=O)(=O)N1CCOCC1 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COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000010188088 132243326 /nfs/dbraw/zinc/24/33/26/132243326.db2.gz SOKQNOUAFTUXQA-UHFFFAOYSA-N 0 0 433.530 1.586 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000010213434 132243525 /nfs/dbraw/zinc/24/35/25/132243525.db2.gz RYPQXJZPIHAALI-UHFFFAOYSA-N 0 0 431.470 1.600 50 0 IDAARN COc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000003334333 132264063 /nfs/dbraw/zinc/26/40/63/132264063.db2.gz MWUNODOHYHLGDB-UHFFFAOYSA-N 0 0 431.470 1.315 50 0 IDAARN Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000003620294 132266541 /nfs/dbraw/zinc/26/65/41/132266541.db2.gz UYMPWPHQGXTIIA-UHFFFAOYSA-N 0 0 436.487 1.914 50 0 IDAARN CCC(=O)N(C(=O)CC)N1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1 ZINC000008448133 132282125 /nfs/dbraw/zinc/28/21/25/132282125.db2.gz DWAYWQFFVKGRAH-UHFFFAOYSA-N 0 0 437.566 1.468 50 0 IDAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)CC1 ZINC000008591225 132284043 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434.452 1.119 50 0 IDAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000009644953 132324786 /nfs/dbraw/zinc/32/47/86/132324786.db2.gz IDXHJOCDUIVTQX-QHCPKHFHSA-N 0 0 434.500 1.081 50 0 IDAARN COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)ncn3n2)cc1 ZINC000009727361 132327811 /nfs/dbraw/zinc/32/78/11/132327811.db2.gz AGUMOELJBIJFGY-UHFFFAOYSA-N 0 0 445.483 1.310 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O ZINC000010366093 132335699 /nfs/dbraw/zinc/33/56/99/132335699.db2.gz KVTYOJCSVNAXCW-UHFFFAOYSA-N 0 0 434.518 1.198 50 0 IDAARN C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000010525993 132335991 /nfs/dbraw/zinc/33/59/91/132335991.db2.gz JJNGAWHCBRERNW-CQSZACIVSA-N 0 0 433.486 1.355 50 0 IDAARN COc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000011796035 132340017 /nfs/dbraw/zinc/34/00/17/132340017.db2.gz HWLXKHLMKJDGTL-UHFFFAOYSA-N 0 0 447.557 1.976 50 0 IDAARN 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JXTJPECKAFHPAL-GASCZTMLSA-N 0 0 447.536 1.083 50 0 IDAARN CCCCn1c2nc(CSc3nnnn3-c3ccc(O)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000012519871 521377062 /nfs/dbraw/zinc/37/70/62/521377062.db2.gz YYALCBIXCPNNBN-UHFFFAOYSA-N 0 0 442.505 1.680 50 0 IDAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012786222 521390562 /nfs/dbraw/zinc/39/05/62/521390562.db2.gz NKZYSWKNQPERSK-LBPRGKRZSA-N 0 0 441.531 1.646 50 0 IDAARN CCCCn1nc(C(=O)OCc2nc(CC(=O)Nc3ccccc3OC)no2)ccc1=O ZINC000021236118 521396993 /nfs/dbraw/zinc/39/69/93/521396993.db2.gz SMLVLLSSIUXSFP-UHFFFAOYSA-N 0 0 441.444 1.973 50 0 IDAARN CCOC(=O)c1c(C)oc(NC(=O)CSc2nnc(-c3ccoc3C)n2N)c1C(N)=O ZINC000018525196 521399714 /nfs/dbraw/zinc/39/97/14/521399714.db2.gz SHYFNDVLVLXEDR-UHFFFAOYSA-N 0 0 448.461 1.468 50 0 IDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(OC)c1)c(=O)n2C ZINC000021723171 521431121 /nfs/dbraw/zinc/43/11/21/521431121.db2.gz JTVANRXMVLIVBM-UHFFFAOYSA-N 0 0 426.429 1.228 50 0 IDAARN CCOC(=O)c1cc(CNS(=O)(=O)c2ccc(OC)c(-n3cnnn3)c2)c(CC)o1 ZINC000012413134 521432625 /nfs/dbraw/zinc/43/26/25/521432625.db2.gz NDCFZGBYEAPAGM-UHFFFAOYSA-N 0 0 435.462 1.482 50 0 IDAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCOC)N(c1ccc(OCC)cc1)C2=O ZINC000021879432 521458502 /nfs/dbraw/zinc/45/85/02/521458502.db2.gz BJOLBPPRDSAONY-JOCHJYFZSA-N 0 0 444.488 1.640 50 0 IDAARN CCOC(=O)c1ccc(-n2nnnc2[C@](C)(CN2C(=O)c3ccccc3C2=O)NC)cc1 ZINC000012411122 521461884 /nfs/dbraw/zinc/46/18/84/521461884.db2.gz OKGNETCPZUNFFS-QFIPXVFZSA-N 0 0 434.456 1.570 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(CCc4ccncc4)CC3)C2=O)cc1 ZINC000022852047 521481719 /nfs/dbraw/zinc/48/17/19/521481719.db2.gz FRZYLQAAEFSJLU-NRFANRHFSA-N 0 0 436.512 1.751 50 0 IDAARN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1ccccc1-n1cncn1 ZINC000012315230 521483754 /nfs/dbraw/zinc/48/37/54/521483754.db2.gz BSOWNSRUFPHMHV-NRFANRHFSA-N 0 0 448.527 1.673 50 0 IDAARN CCCN(CC(=O)c1c(N)n(CCC)c(=O)n(C)c1=O)Cc1nnc(-c2cccs2)o1 ZINC000021472667 521574447 /nfs/dbraw/zinc/57/44/47/521574447.db2.gz JGYSPEPYISDSJI-UHFFFAOYSA-N 0 0 446.533 1.746 50 0 IDAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)C(=O)OC)CC1 ZINC000022674182 521599284 /nfs/dbraw/zinc/59/92/84/521599284.db2.gz DFSFQUWDKCDIIK-UHFFFAOYSA-N 0 0 441.271 1.935 50 0 IDAARN CCCn1c(=O)[nH]nc1SCC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 ZINC000018523960 521615077 /nfs/dbraw/zinc/61/50/77/521615077.db2.gz VWWVQRPVHVWADT-UHFFFAOYSA-N 0 0 446.577 1.419 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(C[C@@H](O)COc2ccc(F)cc2)c1=O ZINC000012805275 521640378 /nfs/dbraw/zinc/64/03/78/521640378.db2.gz LCNFFCMHJNMCJM-MRXNPFEDSA-N 0 0 434.468 1.304 50 0 IDAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2)[C@](C)(C(=O)NCc2ccccc2)C1 ZINC000021528695 521659848 /nfs/dbraw/zinc/65/98/48/521659848.db2.gz QAEHBRIDIQHELE-NRFANRHFSA-N 0 0 433.505 1.899 50 0 IDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(OC)ccc1OC ZINC000021887701 521663378 /nfs/dbraw/zinc/66/33/78/521663378.db2.gz LEAKSIGMJWSCIM-UHFFFAOYSA-N 0 0 438.502 1.700 50 0 biogenic IDAARN CCS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000015680650 521665593 /nfs/dbraw/zinc/66/55/93/521665593.db2.gz JMJDYENJLAQEEI-UHFFFAOYSA-N 0 0 427.324 1.947 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)NCc4ccc(Cl)cc4)c(=O)c3s2)CC1 ZINC000021886472 521700659 /nfs/dbraw/zinc/70/06/59/521700659.db2.gz SADXKWGXGXRZEB-UHFFFAOYSA-N 0 0 446.964 1.965 50 0 IDAARN CCCN1C(=O)c2cc(C(=O)NCCCOCC)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877727 521702600 /nfs/dbraw/zinc/70/26/00/521702600.db2.gz RJDFVLMCGIWAAX-JOCHJYFZSA-N 0 0 433.553 1.723 50 0 IDAARN CCNC(=O)COc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 ZINC000024625458 521738559 /nfs/dbraw/zinc/73/85/59/521738559.db2.gz OIGRQFOUUAEFKD-UHFFFAOYSA-N 0 0 447.513 1.475 50 0 IDAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(C)cc3)NC(=O)N2C)CC1 ZINC000036003279 521739858 /nfs/dbraw/zinc/73/98/58/521739858.db2.gz JZJLGBNVOHDMCB-HXUWFJFHSA-N 0 0 443.548 1.855 50 0 IDAARN CN(C)CCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000020614677 521774731 /nfs/dbraw/zinc/77/47/31/521774731.db2.gz MHANYSSOWPLQDM-INIZCTEOSA-N 0 0 427.523 1.196 50 0 IDAARN COC(=O)c1c(OCCc2cccs2)cc(=O)n2c1CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000014957359 521778501 /nfs/dbraw/zinc/77/85/01/521778501.db2.gz ISKOCDQRVTYGIT-HNNXBMFYSA-N 0 0 446.525 1.739 50 0 IDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N(C)C)cc1)N(C)CC3)OCO2 ZINC000020758556 521890682 /nfs/dbraw/zinc/89/06/82/521890682.db2.gz SFOLWLDSCPEKNI-SFHVURJKSA-N 0 0 436.472 1.679 50 0 biogenic IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)cn1C ZINC000035375958 521904814 /nfs/dbraw/zinc/90/48/14/521904814.db2.gz AFHHOUDNSFJQPK-OAHLLOKOSA-N 0 0 449.485 1.010 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)cn1C ZINC000035376029 521908254 /nfs/dbraw/zinc/90/82/54/521908254.db2.gz DICVXPCBEPHGFD-INIZCTEOSA-N 0 0 435.502 1.921 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000035590082 521973526 /nfs/dbraw/zinc/97/35/26/521973526.db2.gz MRIAAPXHCWVOIS-UHFFFAOYSA-N 0 0 430.442 1.897 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(C)C(=O)[C@H](CC(=O)Nc1nccs1)S2 ZINC000021020920 521990961 /nfs/dbraw/zinc/99/09/61/521990961.db2.gz DFYWPDZNZADMOQ-ZDUSSCGKSA-N 0 0 426.545 1.859 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)[C@@H]1CCCCN21 ZINC000035445391 521991846 /nfs/dbraw/zinc/99/18/46/521991846.db2.gz KUBPPGIEMFJOHS-SFHVURJKSA-N 0 0 434.562 1.655 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCc3ccccc3C1)cn2C ZINC000020240204 521993435 /nfs/dbraw/zinc/99/34/35/521993435.db2.gz GTWWVFOEIBUASR-UHFFFAOYSA-N 0 0 425.510 1.987 50 0 IDAARN COCCn1nc(C(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)ccc1=O ZINC000023099193 522143781 /nfs/dbraw/zinc/14/37/81/522143781.db2.gz IVWFOUNEVAJUQT-UHFFFAOYSA-N 0 0 429.502 1.564 50 0 IDAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OC)c1OC ZINC000001183497 522155261 /nfs/dbraw/zinc/15/52/61/522155261.db2.gz UKYPRZKPVPKUKA-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN COc1cc(C)c(CN2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)cc1OC ZINC000012861717 522191967 /nfs/dbraw/zinc/19/19/67/522191967.db2.gz OFJPMZIFURBELF-QHCPKHFHSA-N 0 0 444.532 1.377 50 0 IDAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000022382037 522214779 /nfs/dbraw/zinc/21/47/79/522214779.db2.gz WLVBCAOLTDLVJZ-UHFFFAOYSA-N 0 0 426.539 1.498 50 0 IDAARN COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000012030711 522237106 /nfs/dbraw/zinc/23/71/06/522237106.db2.gz KQHPZPKDVCSJSF-KRWDZBQOSA-N 0 0 437.495 1.686 50 0 IDAARN COC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000012906143 522248368 /nfs/dbraw/zinc/24/83/68/522248368.db2.gz UEXXPOXWNIUNGN-UHFFFAOYSA-N 0 0 438.527 1.310 50 0 IDAARN COC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccc(OC)cc2)S1(=O)=O ZINC000035447226 522273068 /nfs/dbraw/zinc/27/30/68/522273068.db2.gz AYHMKBHAWRPUPT-UHFFFAOYSA-N 0 0 447.513 1.873 50 0 IDAARN COC(=O)c1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000035588668 522305516 /nfs/dbraw/zinc/30/55/16/522305516.db2.gz FXEWXINUWRVOHH-UHFFFAOYSA-N 0 0 437.543 1.788 50 0 IDAARN COc1cc(C2=NN(C(C)=O)[C@H](Cn3nnc4ccccc43)O2)cc(OC)c1OC(C)=O ZINC000021093094 522309199 /nfs/dbraw/zinc/30/91/99/522309199.db2.gz MVZYXZKVLWGZDF-IBGZPJMESA-N 0 0 439.428 1.940 50 0 IDAARN CN(CC(=O)NC(C)(C)C)C(=O)CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012918910 522455148 /nfs/dbraw/zinc/45/51/48/522455148.db2.gz FSMMGZSSPFZQMW-UHFFFAOYSA-N 0 0 432.609 1.720 50 0 IDAARN CCc1nc2ccccc2n1CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000022379085 522502229 /nfs/dbraw/zinc/50/22/29/522502229.db2.gz QMADRDDBNNOLAG-UHFFFAOYSA-N 0 0 441.488 1.123 50 0 IDAARN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(OC)cc1 ZINC000012909215 522541577 /nfs/dbraw/zinc/54/15/77/522541577.db2.gz ZWVXJTOCLVUJRT-IBGZPJMESA-N 0 0 431.514 1.697 50 0 IDAARN COc1cc(NC(=O)CN2C(=O)COc3ccc(C(=O)N(C)C)cc32)cc(OC)c1OC ZINC000035376913 522657260 /nfs/dbraw/zinc/65/72/60/522657260.db2.gz DWXWERHUWQAHPM-UHFFFAOYSA-N 0 0 443.456 1.778 50 0 IDAARN COc1cc(NC(=O)Cc2csc(NC(=O)[C@H]3CCC(=O)N3)n2)cc(OC)c1OC ZINC000012422909 522675595 /nfs/dbraw/zinc/67/55/95/522675595.db2.gz KATXDTHIQQCVSR-GFCCVEGCSA-N 0 0 434.474 1.567 50 0 IDAARN COc1cc(OC)c(N2C[C@H](C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2=O)cc1Cl ZINC000012777941 522800040 /nfs/dbraw/zinc/80/00/40/522800040.db2.gz SMZZKZIDIZJVDH-QWHCGFSZSA-N 0 0 440.880 1.501 50 0 IDAARN COC[C@H]1CCCN(C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)C1 ZINC000012458481 522830485 /nfs/dbraw/zinc/83/04/85/522830485.db2.gz CGKIEFIOQXBLLY-KRWDZBQOSA-N 0 0 439.578 1.835 50 0 IDAARN COC(=O)C1=C(OC(=O)COc2ccc(OC)cc2)c2ccccc2S(=O)(=O)N1C ZINC000020894093 522897205 /nfs/dbraw/zinc/89/72/05/522897205.db2.gz GUTQZTHTNITHBL-UHFFFAOYSA-N 0 0 433.438 1.793 50 0 IDAARN COc1cc2oc(=O)c(CC(=O)N(C)CC(=O)N3CCN(C)CC3)c(C)c2cc1Cl ZINC000020623470 523069928 /nfs/dbraw/zinc/06/99/28/523069928.db2.gz YUORSQZEYSOIOS-UHFFFAOYSA-N 0 0 435.908 1.538 50 0 IDAARN COc1cc2ncn(CC(=O)NCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OC ZINC000020762654 523070865 /nfs/dbraw/zinc/07/08/65/523070865.db2.gz TVUZGJQIEIZRBX-UHFFFAOYSA-N 0 0 436.468 1.115 50 0 biogenic IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(F)ccc1F)C(=O)OC ZINC000020720583 523118207 /nfs/dbraw/zinc/11/82/07/523118207.db2.gz YFZDEDFEWYXBAY-MAUKXSAKSA-N 0 0 436.415 1.840 50 0 IDAARN COc1ccc(-c2noc(CCn3c(=O)[nH]c4cc5c(cc4c3=O)OCO5)n2)cc1OC ZINC000021873995 523284328 /nfs/dbraw/zinc/28/43/28/523284328.db2.gz IWQDJVNZAYKIAA-UHFFFAOYSA-N 0 0 438.396 1.728 50 0 IDAARN COc1ccc(-c2noc(CN3CCN(C(=O)CN(C)C(=O)c4ccco4)CC3)n2)cc1 ZINC000022876543 523286879 /nfs/dbraw/zinc/28/68/79/523286879.db2.gz YQOBIQWPFBWXDC-UHFFFAOYSA-N 0 0 439.472 1.755 50 0 IDAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)N2CCOCC2)CCS3)cc1OC ZINC000012140668 523309331 /nfs/dbraw/zinc/30/93/31/523309331.db2.gz SOFJNYUWKPODAF-UHFFFAOYSA-N 0 0 449.554 1.849 50 0 IDAARN COCCCNC(=O)CN1CCN(C(=O)c2csc(Nc3ccccc3F)n2)CC1 ZINC000034831527 523322652 /nfs/dbraw/zinc/32/26/52/523322652.db2.gz UIHHEKXIWGCKSG-UHFFFAOYSA-N 0 0 435.525 1.936 50 0 IDAARN COc1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC ZINC000020609756 523358333 /nfs/dbraw/zinc/35/83/33/523358333.db2.gz JINFHAQXGMKQFX-SFHVURJKSA-N 0 0 425.445 1.994 50 0 biogenic IDAARN COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN([C@H]1C=CS(=O)(=O)C1)CO3 ZINC000020623537 523362931 /nfs/dbraw/zinc/36/29/31/523362931.db2.gz BSCVZZKRIHIGNY-NSHDSACASA-N 0 0 439.873 1.933 50 0 IDAARN COC(=O)[C@@H](CCSC)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000041154589 523574787 /nfs/dbraw/zinc/57/47/87/523574787.db2.gz QKGSTZFFQCICCQ-CYBMUJFWSA-N 0 0 428.507 1.243 50 0 IDAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000012652624 523593646 /nfs/dbraw/zinc/59/36/46/523593646.db2.gz WVVPMMMZEQMQFW-RTBURBONSA-N 0 0 440.452 1.920 50 0 biogenic IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nonc43)CC2)cc1OC ZINC000012389243 523649593 /nfs/dbraw/zinc/64/95/93/523649593.db2.gz GYGMWYWEGMFGMP-UHFFFAOYSA-N 0 0 432.458 1.387 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)NC[C@@H]1CCCO1 ZINC000035373911 523669016 /nfs/dbraw/zinc/66/90/16/523669016.db2.gz UEEYOQCVBLETPN-SFHVURJKSA-N 0 0 439.516 1.226 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NC[C@@H]1CCCO1 ZINC000035374115 523670861 /nfs/dbraw/zinc/67/08/61/523670861.db2.gz WWKDEHZDZYUOBI-KRWDZBQOSA-N 0 0 443.479 1.171 50 0 IDAARN COCCN(CCC(=O)N1CCN(C)CC1)C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000035992957 523690363 /nfs/dbraw/zinc/69/03/63/523690363.db2.gz QEOMBSQTJKHYMQ-UHFFFAOYSA-N 0 0 430.505 1.603 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3ccccn3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876002 523731593 /nfs/dbraw/zinc/73/15/93/523731593.db2.gz KHJHYPWZEREORH-HSZRJFAPSA-N 0 0 432.484 1.369 50 0 IDAARN CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC000022914244 523731652 /nfs/dbraw/zinc/73/16/52/523731652.db2.gz JFQBJCXOKSLZNH-HXUWFJFHSA-N 0 0 430.534 1.166 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3ccccc3F)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021874399 523731965 /nfs/dbraw/zinc/73/19/65/523731965.db2.gz VQPFEUQJAHAPQS-JOCHJYFZSA-N 0 0 427.480 1.855 50 0 IDAARN CC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O ZINC000012516957 523733157 /nfs/dbraw/zinc/73/31/57/523733157.db2.gz FEYOJZLQSVQKAN-HTAPYJJXSA-N 0 0 443.504 1.018 50 0 IDAARN CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)N2CCn3c4ccccc4nc32)CC1 ZINC000020573586 523879108 /nfs/dbraw/zinc/87/91/08/523879108.db2.gz SDTDVCROTUNWEX-FQEVSTJZSA-N 0 0 432.528 1.951 50 0 IDAARN CN1CCN(C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)CC1 ZINC000012882958 523883250 /nfs/dbraw/zinc/88/32/50/523883250.db2.gz KIMXBIACBUIRKG-QGZVFWFLSA-N 0 0 429.546 1.497 50 0 IDAARN COCCNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O ZINC000032947211 523899332 /nfs/dbraw/zinc/89/93/32/523899332.db2.gz MNIGJNSTRNCJID-SNVBAGLBSA-N 0 0 430.324 1.395 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000041157825 523900125 /nfs/dbraw/zinc/90/01/25/523900125.db2.gz KBXFACNREVTJMF-HNNXBMFYSA-N 0 0 443.953 1.377 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCC2)CC1 ZINC000035398942 523916612 /nfs/dbraw/zinc/91/66/12/523916612.db2.gz IULCRGWOUVYFNV-UHFFFAOYSA-N 0 0 448.589 1.305 50 0 IDAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccc4c(c3)OCCO4)c2)CC1 ZINC000035351431 523916823 /nfs/dbraw/zinc/91/68/23/523916823.db2.gz FGBOGDKVLKCVQJ-UHFFFAOYSA-N 0 0 445.541 1.366 50 0 IDAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCOCC3)c2)CC1 ZINC000035045869 523917224 /nfs/dbraw/zinc/91/72/24/523917224.db2.gz RDOPJPVRUOBJTA-UHFFFAOYSA-N 0 0 444.557 1.712 50 0 IDAARN CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccccn2)CC1 ZINC000012557908 523928284 /nfs/dbraw/zinc/92/82/84/523928284.db2.gz AIQXGGVHKRGXBQ-UHFFFAOYSA-N 0 0 445.545 1.107 50 0 IDAARN CCc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(OC)c2)nc1 ZINC000020599703 523933415 /nfs/dbraw/zinc/93/34/15/523933415.db2.gz GACNIBGUVOJKFG-IBGZPJMESA-N 0 0 426.517 1.668 50 0 IDAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(=O)n(C)c3)n2C)cc1OC ZINC000023136404 523959719 /nfs/dbraw/zinc/95/97/19/523959719.db2.gz KXAFPQDEMBLPNC-UHFFFAOYSA-N 0 0 443.529 1.649 50 0 IDAARN COc1ccc(CCNC(=O)CSc2nnc(-c3cccn(C)c3=O)n2C)cc1OC ZINC000023136230 523959978 /nfs/dbraw/zinc/95/99/78/523959978.db2.gz CKBINQGCYXWOIY-UHFFFAOYSA-N 0 0 443.529 1.649 50 0 IDAARN CC[C@H](C)NC(=O)CN1CCN(CN2c3cccc(Br)c3C(=O)C2=O)CC1 ZINC000022916838 523972321 /nfs/dbraw/zinc/97/23/21/523972321.db2.gz AURRUKXEQPHDFF-ZDUSSCGKSA-N 0 0 437.338 1.468 50 0 IDAARN COc1ccc(CN(C)C(=O)CNC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1F ZINC000012892456 523994691 /nfs/dbraw/zinc/99/46/91/523994691.db2.gz FQPPPGKGKSSTGB-UHFFFAOYSA-N 0 0 441.456 1.027 50 0 IDAARN CN1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc2C(C)(C)C1=O ZINC000020902237 524032581 /nfs/dbraw/zinc/03/25/81/524032581.db2.gz BCYLKMPIYJZWOJ-UHFFFAOYSA-N 0 0 435.546 1.200 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCC2CCOCC2)c(OC)c1 ZINC000012432235 524033863 /nfs/dbraw/zinc/03/38/63/524033863.db2.gz CCRXVOYELYIUHC-FQEVSTJZSA-N 0 0 433.549 1.669 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCOc2ccccc2)cc1OC ZINC000012195365 524034243 /nfs/dbraw/zinc/03/42/43/524034243.db2.gz ZXTOJDBULWGONQ-FQEVSTJZSA-N 0 0 441.528 1.932 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2[nH]nc3c2CCCCC3)c(F)c1 ZINC000012439774 524034626 /nfs/dbraw/zinc/03/46/26/524034626.db2.gz CHMHJBBEOAPKGP-NRFANRHFSA-N 0 0 443.523 1.833 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccc(F)cc2)cc1OC ZINC000012195412 524034938 /nfs/dbraw/zinc/03/49/38/524034938.db2.gz VLMCYYNUKMWMCC-IBGZPJMESA-N 0 0 429.492 1.892 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCSc2nccn2C)cc1OC ZINC000012433588 524034975 /nfs/dbraw/zinc/03/49/75/524034975.db2.gz GRVNXFABDAQIHL-MRXNPFEDSA-N 0 0 447.561 1.036 50 0 IDAARN COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000020614061 524045181 /nfs/dbraw/zinc/04/51/81/524045181.db2.gz ILPXUJONIOVCHW-LJQANCHMSA-N 0 0 441.484 1.230 50 0 IDAARN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CN3CCOC3=O)C2)c(OC)c1 ZINC000012228406 524047377 /nfs/dbraw/zinc/04/73/77/524047377.db2.gz XRTNQFQKBRSBAZ-INIZCTEOSA-N 0 0 433.505 1.791 50 0 IDAARN COc1ccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000016522006 524062100 /nfs/dbraw/zinc/06/21/00/524062100.db2.gz UWFNUIIWEDZDOA-MRXNPFEDSA-N 0 0 435.521 1.846 50 0 IDAARN C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000022787366 524089927 /nfs/dbraw/zinc/08/99/27/524089927.db2.gz QRCJAQPSJVAUKS-RXVVDRJESA-N 0 0 429.586 1.991 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3ccncc3)CC2)c1 ZINC000012554326 524188019 /nfs/dbraw/zinc/18/80/19/524188019.db2.gz FJYQZGXGUOEOLU-UHFFFAOYSA-N 0 0 430.530 1.950 50 0 IDAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2nnc(-c3ccsc3)n2)CC1 ZINC000012904827 524275648 /nfs/dbraw/zinc/27/56/48/524275648.db2.gz KVLOJKFKNGRVKJ-UHFFFAOYSA-N 0 0 439.545 1.801 50 0 IDAARN Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012875069 524319873 /nfs/dbraw/zinc/31/98/73/524319873.db2.gz HIANQMRXMBJCIV-PGRDOPGGSA-N 0 0 436.472 1.486 50 0 IDAARN COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCOC(C)=O ZINC000012379966 524340194 /nfs/dbraw/zinc/34/01/94/524340194.db2.gz HCDLBDLZKDWYBW-GZTJUZNOSA-N 0 0 426.425 1.874 50 0 IDAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000035681038 524345186 /nfs/dbraw/zinc/34/51/86/524345186.db2.gz UUUTXIOPZZDHFQ-UHFFFAOYSA-N 0 0 448.570 1.758 50 0 IDAARN COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000021167165 524361261 /nfs/dbraw/zinc/36/12/61/524361261.db2.gz LLDYTUDIHGQVJW-BBWFWOEESA-N 0 0 439.559 1.065 50 0 IDAARN Cc1cccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021528798 524384159 /nfs/dbraw/zinc/38/41/59/524384159.db2.gz PMHBVZWYYOMSFO-JOCHJYFZSA-N 0 0 429.542 1.674 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000009450244 524442514 /nfs/dbraw/zinc/44/25/14/524442514.db2.gz NOKJVMXWDMWPBJ-HOCLYGCPSA-N 0 0 439.468 1.598 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 ZINC000017011511 524443477 /nfs/dbraw/zinc/44/34/77/524443477.db2.gz VPOFVGDOSRDAKT-GOEBONIOSA-N 0 0 432.502 1.551 50 0 IDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@]21C(=O)Nc2c1cc(C)cc2C ZINC000020610777 524445704 /nfs/dbraw/zinc/44/57/04/524445704.db2.gz DUCJOSYWMDPMOJ-BQJJVBGXSA-N 0 0 449.507 1.613 50 0 biogenic IDAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)nnn2C(C)C ZINC000033023951 524461268 /nfs/dbraw/zinc/46/12/68/524461268.db2.gz JGSDIPGCCJHACP-UHFFFAOYSA-N 0 0 431.518 1.958 50 0 IDAARN Cc1ccc(CN2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)cc1 ZINC000017051813 524479730 /nfs/dbraw/zinc/47/97/30/524479730.db2.gz YKCOJEQPFCVFBM-HXUWFJFHSA-N 0 0 441.553 1.877 50 0 IDAARN COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 ZINC000023805989 524500002 /nfs/dbraw/zinc/50/00/02/524500002.db2.gz QTDPKYJNRLGTHB-JOCHJYFZSA-N 0 0 441.440 1.653 50 0 IDAARN COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)n2N)cc1OC ZINC000012348308 524514774 /nfs/dbraw/zinc/51/47/74/524514774.db2.gz IRCFWASDICARAZ-UHFFFAOYSA-N 0 0 441.513 1.999 50 0 IDAARN Cc1cc(C)n(CCCNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)n1 ZINC000012603727 524517836 /nfs/dbraw/zinc/51/78/36/524517836.db2.gz FJVPJUFRNVQAQU-UHFFFAOYSA-N 0 0 446.577 1.776 50 0 IDAARN COc1ccccc1N(C(C)=O)c1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 ZINC000012603720 524523683 /nfs/dbraw/zinc/52/36/83/524523683.db2.gz LABQCXDQRPZVKZ-UHFFFAOYSA-N 0 0 440.485 1.632 50 0 IDAARN COc1ccc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000021713864 524528683 /nfs/dbraw/zinc/52/86/83/524528683.db2.gz LVQJCTFYBQYMDF-UHFFFAOYSA-N 0 0 437.431 1.731 50 0 IDAARN COc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000020928034 524535984 /nfs/dbraw/zinc/53/59/84/524535984.db2.gz PQNMRSFVQQJZQR-OAQYLSRUSA-N 0 0 437.562 1.901 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C(=O)NCc4cccnc4)cc3C(=O)N2C)cc1 ZINC000021877007 524545613 /nfs/dbraw/zinc/54/56/13/524545613.db2.gz KYNPEALCEJHHSD-XMMPIXPASA-N 0 0 446.511 1.677 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2c3ccccc3c3nc(C)nn3c2=O)CC1 ZINC000021716198 524548039 /nfs/dbraw/zinc/54/80/39/524548039.db2.gz RXJCPKQHSHHVTM-UHFFFAOYSA-N 0 0 432.484 1.710 50 0 IDAARN COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)[C@H]2COc3ccccc3O2)CC1=O ZINC000020744718 524580647 /nfs/dbraw/zinc/58/06/47/524580647.db2.gz KPPBOEUHMYQDKK-FOIQADDNSA-N 0 0 439.468 1.121 50 0 IDAARN COc1ccccc1NC(=O)COc1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1OC ZINC000012693038 524597902 /nfs/dbraw/zinc/59/79/02/524597902.db2.gz WKSGJQDCZNZVEX-GFCCVEGCSA-N 0 0 445.428 1.462 50 0 IDAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccno4)o3)cc2)C[C@H](C)O1 ZINC000022710810 524659111 /nfs/dbraw/zinc/65/91/11/524659111.db2.gz NBIVDPRODICLDD-RYUDHWBXSA-N 0 0 433.446 1.775 50 0 IDAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C[C@H](C)O1 ZINC000012139983 524659590 /nfs/dbraw/zinc/65/95/90/524659590.db2.gz GTXJDDQTAFJMIO-STQMWFEESA-N 0 0 443.481 1.620 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000012520887 524688445 /nfs/dbraw/zinc/68/84/45/524688445.db2.gz DNEAAOFNUMGCLG-HNNXBMFYSA-N 0 0 448.497 1.900 50 0 IDAARN Cc1cc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)no1 ZINC000024601908 524690650 /nfs/dbraw/zinc/69/06/50/524690650.db2.gz ODNCDDHRDBEUDI-UHFFFAOYSA-N 0 0 438.575 1.790 50 0 IDAARN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)cc21 ZINC000009116859 534802629 /nfs/dbraw/zinc/80/26/29/534802629.db2.gz BREUYUGYRCJLHR-UHFFFAOYSA-N 0 0 447.513 1.742 50 0 IDAARN COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)nn1 ZINC000077100524 524740293 /nfs/dbraw/zinc/74/02/93/524740293.db2.gz RAEMBMXZMSPXDR-FQEVSTJZSA-N 0 0 437.500 1.991 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccccc3)c2=O)c1 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COc1cccc(C(=O)N2[C@@H](C(=O)NCCN3CCOCC3)COC23CCC(C)CC3)c1 ZINC000034921076 555931432 /nfs/dbraw/zinc/93/14/32/555931432.db2.gz KTVFLCMJMWFOBM-RUPGZQMFSA-N 0 0 445.560 1.891 50 0 IDAARN Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 ZINC000004240236 555978420 /nfs/dbraw/zinc/97/84/20/555978420.db2.gz RYHLUZMBVLFVPG-AWEZNQCLSA-N 0 0 442.538 1.946 50 0 IDAARN CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2C[C@H](OC(=O)c3ccccc3)[C@H](CO)O2)c(=O)[nH]1 ZINC000004556533 556001017 /nfs/dbraw/zinc/00/10/17/556001017.db2.gz LIOWMNSJEHKBBW-KKUMJFAQSA-N 0 0 441.444 1.220 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000002803106 556142646 /nfs/dbraw/zinc/14/26/46/556142646.db2.gz HSNRRQPCWZSKOD-INIZCTEOSA-N 0 0 449.504 1.804 50 0 IDAARN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(I)c1 ZINC000097379369 556143938 /nfs/dbraw/zinc/14/39/38/556143938.db2.gz RAVAWLUJURWVGF-NXEZZACHSA-N 0 0 428.317 1.943 50 0 IDAARN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(I)c1 ZINC000097379370 556144100 /nfs/dbraw/zinc/14/41/00/556144100.db2.gz RAVAWLUJURWVGF-ZJUUUORDSA-N 0 0 428.317 1.943 50 0 IDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000008435584 556173312 /nfs/dbraw/zinc/17/33/12/556173312.db2.gz YMSVZNGDVRMFDC-BUDOKORBSA-N 0 0 449.488 1.729 50 0 IDAARN CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008647943 556195686 /nfs/dbraw/zinc/19/56/86/556195686.db2.gz JCKOUAWEMPKIAT-OBKDMQGPSA-N 0 0 440.470 1.862 50 0 IDAARN CCOC(=O)C1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C)c2)CC1 ZINC000008775063 556214003 /nfs/dbraw/zinc/21/40/03/556214003.db2.gz XRJOQFWKXIABCY-UHFFFAOYSA-N 0 0 439.516 1.570 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008816114 556217405 /nfs/dbraw/zinc/21/74/05/556217405.db2.gz MYKLRRWPGUZPPS-HNNXBMFYSA-N 0 0 447.488 1.838 50 0 IDAARN Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)N(C)CCc1ccncc1 ZINC000013691603 556281182 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1.257 50 0 IDAARN CCOc1ccc(OC[C@@H](O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)cc1 ZINC000032751183 556313161 /nfs/dbraw/zinc/31/31/61/556313161.db2.gz UZEHGMNLJJAIRN-ZIAGYGMSSA-N 0 0 427.548 1.648 50 0 IDAARN O=C(OCc1cc(=O)n2ccccc2n1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000032747379 556315969 /nfs/dbraw/zinc/31/59/69/556315969.db2.gz MVIJKIOJQNJYMV-MRXNPFEDSA-N 0 0 438.465 1.351 50 0 IDAARN O=C(CN1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000032759463 556319872 /nfs/dbraw/zinc/31/98/72/556319872.db2.gz GPBIZLJSNQRDGN-LJQANCHMSA-N 0 0 442.491 1.338 50 0 IDAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc2F)cc1 ZINC000013856374 556321027 /nfs/dbraw/zinc/32/10/27/556321027.db2.gz PYUNUBSXUCCOOU-UHFFFAOYSA-N 0 0 435.521 1.778 50 0 IDAARN COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)cc1OC ZINC000013856688 556321096 /nfs/dbraw/zinc/32/10/96/556321096.db2.gz QCSZPKLMTWLSIF-KRWDZBQOSA-N 0 0 440.452 1.932 50 0 IDAARN COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(CSc2nncn2C)cc1=O 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556650130 /nfs/dbraw/zinc/65/01/30/556650130.db2.gz MLHAWDAPQFTFIG-UHFFFAOYSA-N 0 0 427.486 1.632 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)cc1C(N)=O ZINC000011750681 556650343 /nfs/dbraw/zinc/65/03/43/556650343.db2.gz KPZSYCFELGOJSA-UHFFFAOYSA-N 0 0 444.557 1.373 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000016961458 556651168 /nfs/dbraw/zinc/65/11/68/556651168.db2.gz OSNCGVOPNZWXQY-INIZCTEOSA-N 0 0 432.498 1.906 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)N3CCc4ccccc43)nc(-c3ccco3)nc2n(C)c1=O ZINC000011758256 556652503 /nfs/dbraw/zinc/65/25/03/556652503.db2.gz ONBQFNQDNAGODN-UHFFFAOYSA-N 0 0 449.492 1.969 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000011758170 556652552 /nfs/dbraw/zinc/65/25/52/556652552.db2.gz MXOHFDGSJQMPEK-UHFFFAOYSA-N 0 0 429.477 1.548 50 0 IDAARN Cc1nnc(NC(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000011758282 556652555 /nfs/dbraw/zinc/65/25/55/556652555.db2.gz SQTCLLCWAQCHSB-UHFFFAOYSA-N 0 0 445.486 1.178 50 0 IDAARN COCCNC(=O)C1CCN(c2c(C)n(-c3ccccc3)c(=O)n(CC(C)C)c2=O)CC1 ZINC000032999357 556653199 /nfs/dbraw/zinc/65/31/99/556653199.db2.gz GRCKOGJGZFHBFS-UHFFFAOYSA-N 0 0 442.560 1.943 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000011758598 556653210 /nfs/dbraw/zinc/65/32/10/556653210.db2.gz BDUWJJQXXZLPIA-UHFFFAOYSA-N 0 0 445.480 1.742 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccoc3)c(=O)n2[C@H]1c1cn(CC)nc1C ZINC000017094894 556658131 /nfs/dbraw/zinc/65/81/31/556658131.db2.gz QVEYBEOPYZCRCM-WBNHJWIASA-N 0 0 426.498 1.916 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000017097917 556662564 /nfs/dbraw/zinc/66/25/64/556662564.db2.gz DGACCWGMFMGHBH-UHFFFAOYSA-N 0 0 432.470 1.669 50 0 IDAARN COc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)CC1 ZINC000011859498 556664111 /nfs/dbraw/zinc/66/41/11/556664111.db2.gz YVKLOEARMIKXCG-MRXNPFEDSA-N 0 0 443.525 1.970 50 0 IDAARN Cc1ccccc1-c1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011883405 556668678 /nfs/dbraw/zinc/66/86/78/556668678.db2.gz LKWFXMOQLQETTB-UHFFFAOYSA-N 0 0 425.514 1.717 50 0 IDAARN C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccccc3F)cc2)C1=O ZINC000011904920 556670624 /nfs/dbraw/zinc/67/06/24/556670624.db2.gz ZVEKLRLSAVMRLY-ZDUSSCGKSA-N 0 0 426.491 1.659 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)CC(=O)NCc2ccccc2F)c1 ZINC000032929557 556672315 /nfs/dbraw/zinc/67/23/15/556672315.db2.gz VUZONKNPZGIPPD-UHFFFAOYSA-N 0 0 428.507 1.307 50 0 IDAARN CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)N(C)C ZINC000032933045 556676347 /nfs/dbraw/zinc/67/63/47/556676347.db2.gz SKSQZPSETQUBPE-AEFFLSMTSA-N 0 0 425.551 1.377 50 0 IDAARN CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]12 ZINC000248266186 556678081 /nfs/dbraw/zinc/67/80/81/556678081.db2.gz DWNHDAZTKYKHER-ZXSTVJADSA-N 0 0 442.468 1.431 50 0 IDAARN CSc1nc2ncn(CC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)c(=O)c2s1 ZINC000032936551 556678702 /nfs/dbraw/zinc/67/87/02/556678702.db2.gz QGUKMOIQFPIZRO-LLVKDONJSA-N 0 0 430.577 1.247 50 0 IDAARN COc1ccc(N2C(=O)C[C@@H](N3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000017889361 556680200 /nfs/dbraw/zinc/68/02/00/556680200.db2.gz MXWLKACSKXUUQK-HXUWFJFHSA-N 0 0 434.496 1.756 50 0 IDAARN CCN(C(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012006114 556680449 /nfs/dbraw/zinc/68/04/49/556680449.db2.gz YNNJGJMGQXCEFV-GFCCVEGCSA-N 0 0 434.923 1.056 50 0 IDAARN CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000240067713 556682115 /nfs/dbraw/zinc/68/21/15/556682115.db2.gz RZSSLCQNNAGTQY-JAZQRGJZSA-N 0 0 431.482 1.239 50 0 IDAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)o1 ZINC000033021324 556685769 /nfs/dbraw/zinc/68/57/69/556685769.db2.gz CFYSXEYPJIZFIL-AWEZNQCLSA-N 0 0 433.486 1.636 50 0 IDAARN O=C(NCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021290 556685813 /nfs/dbraw/zinc/68/58/13/556685813.db2.gz LIBNZCXEPSVIGR-ZDUSSCGKSA-N 0 0 435.527 1.796 50 0 IDAARN O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021362 556686061 /nfs/dbraw/zinc/68/60/61/556686061.db2.gz LBAUPZKNUCKUHF-MRXNPFEDSA-N 0 0 429.498 1.735 50 0 IDAARN O=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000033021655 556686556 /nfs/dbraw/zinc/68/65/56/556686556.db2.gz DEUGBSPFUCBOSE-UHFFFAOYSA-N 0 0 430.486 1.234 50 0 IDAARN C[C@H](OC(=O)Cc1nn(CCO)c(=O)c2ccccc12)C(=O)N1CCCc2ccccc21 ZINC000072312584 556687886 /nfs/dbraw/zinc/68/78/86/556687886.db2.gz HSDXXDRSBHEUPM-INIZCTEOSA-N 0 0 435.480 1.842 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000018271491 556688745 /nfs/dbraw/zinc/68/87/45/556688745.db2.gz XCBVKILPRWAUEB-IBGZPJMESA-N 0 0 443.500 1.066 50 0 IDAARN COc1cc2[nH]c(N3CCN(C(=O)c4ccco4)CC3)nc(=NNC(N)=O)c2cc1OC ZINC000000977950 556690009 /nfs/dbraw/zinc/69/00/09/556690009.db2.gz FWGYBNILQDGULV-UHFFFAOYSA-N 0 0 441.448 1.198 50 0 IDAARN COc1ccc(C(=O)N(CCc2ccccc2)CCS(=O)(=O)N2CCNCC2)cc1 ZINC000046140868 556691721 /nfs/dbraw/zinc/69/17/21/556691721.db2.gz VKEREHDPVXAGPZ-UHFFFAOYSA-N 0 0 431.558 1.615 50 0 biogenic IDAARN COCCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)ccc21 ZINC000033023634 556693468 /nfs/dbraw/zinc/69/34/68/556693468.db2.gz SIYDJAQLZPSXLH-LJQANCHMSA-N 0 0 447.517 1.530 50 0 IDAARN CN1C(=O)[C@H]2[C@H](C1=O)[C@H](c1cccs1)N1[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@H](c3cccs3)N21 ZINC000019171373 556707517 /nfs/dbraw/zinc/70/75/17/556707517.db2.gz SPHHDFIPWOIWAC-XMEMRUQMSA-N 0 0 442.522 1.105 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1CCN1CCOCC1 ZINC000019200998 556707891 /nfs/dbraw/zinc/70/78/91/556707891.db2.gz UEDIUSAOOFPAGA-UHFFFAOYSA-N 0 0 436.516 1.147 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)COc1coc(CN3CCOCC3)cc1=O)CC2 ZINC000072324814 556722456 /nfs/dbraw/zinc/72/24/56/556722456.db2.gz HUNZZDMWSKNUQP-UHFFFAOYSA-N 0 0 444.484 1.453 50 0 biogenic IDAARN O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1nnnn1-c1ccccc1 ZINC000061718199 556724643 /nfs/dbraw/zinc/72/46/43/556724643.db2.gz IZWBNHLGSIUIIX-UHFFFAOYSA-N 0 0 427.266 1.970 50 0 IDAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NC[C@H]1CCCO1 ZINC000061720346 556727797 /nfs/dbraw/zinc/72/77/97/556727797.db2.gz NAUZVNBJTNKFQV-GOSISDBHSA-N 0 0 431.924 1.519 50 0 IDAARN COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)N(C)CCc1cnn(C)c1 ZINC000055153028 556736390 /nfs/dbraw/zinc/73/63/90/556736390.db2.gz BDGVHYADAFEPMH-CPSHHHPTSA-N 0 0 425.533 1.334 50 0 IDAARN COCCOC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)CC1 ZINC000055167868 556736680 /nfs/dbraw/zinc/73/66/80/556736680.db2.gz MEGDLLBDFXYCBS-IBGZPJMESA-N 0 0 441.931 1.824 50 0 IDAARN O=C(c1coc(CN2CCN(c3ncccn3)CC2)n1)N1CCN(C2CCCC2)C(=O)C1 ZINC000055182807 556737349 /nfs/dbraw/zinc/73/73/49/556737349.db2.gz GESIQBMDLZIMKN-UHFFFAOYSA-N 0 0 439.520 1.014 50 0 IDAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000079021575 556737696 /nfs/dbraw/zinc/73/76/96/556737696.db2.gz UFLBCWIOBBUGGT-CYBMUJFWSA-N 0 0 436.299 1.329 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)N1CCC(O)(c2ccccn2)CC1 ZINC000055326139 556740113 /nfs/dbraw/zinc/74/01/13/556740113.db2.gz VZZJRWVAJOVQAG-SFHVURJKSA-N 0 0 444.482 1.561 50 0 IDAARN CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCC(C(=O)OCC)CC1 ZINC000055555004 556742236 /nfs/dbraw/zinc/74/22/36/556742236.db2.gz HGAMNYJTWHWMKU-UHFFFAOYSA-N 0 0 443.464 1.393 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000005225429 556744641 /nfs/dbraw/zinc/74/46/41/556744641.db2.gz KPZYVPPKTWSIGA-GOSISDBHSA-N 0 0 433.486 1.270 50 0 biogenic IDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000019357607 556745366 /nfs/dbraw/zinc/74/53/66/556745366.db2.gz VKPSPJOHUKIBJV-UHFFFAOYSA-N 0 0 433.829 1.236 50 0 IDAARN O=C1c2cccc(OCc3ccc(CN4CCOCC4)cc3)c2CN1[C@H]1CCC(=O)NC1=O ZINC000118417658 556745472 /nfs/dbraw/zinc/74/54/72/556745472.db2.gz IXZOHGPZAQLIBH-NRFANRHFSA-N 0 0 449.507 1.859 50 0 investigational IDAARN Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1CC(=O)Nc1ccc(Cl)cc1 ZINC000072333339 556749872 /nfs/dbraw/zinc/74/98/72/556749872.db2.gz VJRHGZKOSHVAQR-UHFFFAOYSA-N 0 0 428.836 1.811 50 0 IDAARN O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997348 556751746 /nfs/dbraw/zinc/75/17/46/556751746.db2.gz SFWOGLMCWSADDS-QUCCMNQESA-N 0 0 427.505 1.150 50 0 IDAARN O=C(CN1CCSC1=O)NC[C@H](Cc1ccccc1)NC(=O)CN1CCSC1=O ZINC000058004587 556752379 /nfs/dbraw/zinc/75/23/79/556752379.db2.gz DVZCMVFFWJVNMR-HNNXBMFYSA-N 0 0 436.559 1.168 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)c3ccccc3)CC2=O)cc1OC ZINC000058005322 556752614 /nfs/dbraw/zinc/75/26/14/556752614.db2.gz OJVOMWVAOOBARE-HNNXBMFYSA-N 0 0 432.498 1.647 50 0 IDAARN COc1cc(N2C[C@@H](C(=O)N[C@H](C)C(=O)NCc3ccco3)CC2=O)cc(OC)c1OC ZINC000058052970 556755655 /nfs/dbraw/zinc/75/56/55/556755655.db2.gz ZHFLAFYRDBLNSG-KGLIPLIRSA-N 0 0 445.472 1.479 50 0 IDAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)C1 ZINC000058086366 556757334 /nfs/dbraw/zinc/75/73/34/556757334.db2.gz CODWTFBQTDTKEO-JKSUJKDBSA-N 0 0 425.555 1.661 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C2)c(=O)[nH]c1=O ZINC000058110403 556759105 /nfs/dbraw/zinc/75/91/05/556759105.db2.gz XCTBDAMNTWAMOW-CAOSSQGBSA-N 0 0 433.553 1.555 50 0 IDAARN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000058134520 556760447 /nfs/dbraw/zinc/76/04/47/556760447.db2.gz QTIAXMVMOPCQJB-MRXNPFEDSA-N 0 0 442.417 1.822 50 0 IDAARN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000058135391 556760579 /nfs/dbraw/zinc/76/05/79/556760579.db2.gz PURDDUJLVRNNFJ-UHFFFAOYSA-N 0 0 429.420 1.876 50 0 IDAARN O=C(NCc1ccnc(N2CCCC2)c1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096395949 556760801 /nfs/dbraw/zinc/76/08/01/556760801.db2.gz ARDCIOHRRYAZBA-UHFFFAOYSA-N 0 0 433.520 1.585 50 0 IDAARN CSc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc1C ZINC000058155171 556762517 /nfs/dbraw/zinc/76/25/17/556762517.db2.gz ONOYVMAHRHOOJE-UHFFFAOYSA-N 0 0 426.545 1.546 50 0 IDAARN CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 ZINC000062022889 556766352 /nfs/dbraw/zinc/76/63/52/556766352.db2.gz AMBFVOCZNBQCQJ-HNNXBMFYSA-N 0 0 441.517 1.889 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)C2CN(c3nc4c(cccc4F)s3)C2)cc1 ZINC000062023140 556766642 /nfs/dbraw/zinc/76/66/42/556766642.db2.gz QAOKZQLZMIPYEI-UHFFFAOYSA-N 0 0 434.518 1.878 50 0 IDAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000005347963 556767475 /nfs/dbraw/zinc/76/74/75/556767475.db2.gz MGYIOASIVWQLEQ-HOTGVXAUSA-N 0 0 428.530 1.199 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(Cn3nnn(-c4ccccc4)c3=O)CC2)cc1 ZINC000058175524 556769457 /nfs/dbraw/zinc/76/94/57/556769457.db2.gz AFHOCSQTSBLSBL-UHFFFAOYSA-N 0 0 428.518 1.092 50 0 IDAARN O=C(Cc1ccc(N2CCCC2=O)cc1)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000058201508 556771025 /nfs/dbraw/zinc/77/10/25/556771025.db2.gz WUEAUDNIFINKKM-UHFFFAOYSA-N 0 0 427.526 1.865 50 0 IDAARN O=S(=O)(c1ccc(Br)s1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000247298982 556776681 /nfs/dbraw/zinc/77/66/81/556776681.db2.gz DPHKWWOJLQPHRO-WDEREUQCSA-N 0 0 444.394 1.867 50 0 IDAARN CCOc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O ZINC000058309310 556779529 /nfs/dbraw/zinc/77/95/29/556779529.db2.gz QHTULMSXPWENIR-OAQYLSRUSA-N 0 0 435.444 1.467 50 0 IDAARN NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000058315784 556780318 /nfs/dbraw/zinc/78/03/18/556780318.db2.gz WBZJMAPSOSXDLW-AWEZNQCLSA-N 0 0 441.431 1.832 50 0 IDAARN Cc1csc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3CC(C)C)n1 ZINC000010659285 556781131 /nfs/dbraw/zinc/78/11/31/556781131.db2.gz GEYFFXNUINZDCI-UHFFFAOYSA-N 0 0 434.547 1.950 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000058356878 556782626 /nfs/dbraw/zinc/78/26/26/556782626.db2.gz LKSDLYZEICPFEJ-KRWDZBQOSA-N 0 0 432.952 1.753 50 0 IDAARN O=c1ccc(-n2ccnc2)nn1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000058438193 556788427 /nfs/dbraw/zinc/78/84/27/556788427.db2.gz QTKMRCAVSHSNFW-UHFFFAOYSA-N 0 0 434.909 1.046 50 0 IDAARN COc1cc2cc(C(=O)N3CCN(CC(=O)Nc4cc(C)on4)CC3)[nH]c2c(OC)c1 ZINC000058438152 556788441 /nfs/dbraw/zinc/78/84/41/556788441.db2.gz RBPLHNNWEBXIPA-UHFFFAOYSA-N 0 0 427.461 1.878 50 0 IDAARN O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1cccc(Br)c1 ZINC000247307111 556793155 /nfs/dbraw/zinc/79/31/55/556793155.db2.gz HGAUUVFIPKWMGA-GUTXKFCHSA-N 0 0 430.324 1.795 50 0 IDAARN CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)Cc1ccc2c(c1)OCO2 ZINC000019541914 556794443 /nfs/dbraw/zinc/79/44/43/556794443.db2.gz CMRRMHXKSWNCAD-UHFFFAOYSA-N 0 0 436.468 1.221 50 0 IDAARN COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004629777 556796973 /nfs/dbraw/zinc/79/69/73/556796973.db2.gz IZWOHCZORIQPLZ-UHFFFAOYSA-N 0 0 429.521 1.278 50 0 IDAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc2c(c1)OCO2 ZINC000003314556 556809789 /nfs/dbraw/zinc/80/97/89/556809789.db2.gz GHMSORMSULXWHX-UHFFFAOYSA-N 0 0 446.481 1.673 50 0 IDAARN COC(=O)CNC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000003363519 556811829 /nfs/dbraw/zinc/81/18/29/556811829.db2.gz NWPVLBIBHILKEL-UHFFFAOYSA-N 0 0 434.470 1.550 50 0 IDAARN CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(F)c1 ZINC000019572168 556812321 /nfs/dbraw/zinc/81/23/21/556812321.db2.gz IRWIIHIYQWGGMY-UHFFFAOYSA-N 0 0 449.504 1.665 50 0 IDAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccn5)CC4)c3CO2)cc1 ZINC000097943620 556813302 /nfs/dbraw/zinc/81/33/02/556813302.db2.gz PZSNOTYYPKUVCN-HXUWFJFHSA-N 0 0 432.484 1.851 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)N1CCN(C(=O)c2ccco2)CC1 ZINC000063833644 556821927 /nfs/dbraw/zinc/82/19/27/556821927.db2.gz ZIYSCXFEXKJMSY-KRWDZBQOSA-N 0 0 446.454 1.233 50 0 IDAARN CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000019585913 556822897 /nfs/dbraw/zinc/82/28/97/556822897.db2.gz XUZPHEXODYQOLL-UHFFFAOYSA-N 0 0 449.504 1.519 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)cc1 ZINC000206641263 556825843 /nfs/dbraw/zinc/82/58/43/556825843.db2.gz WMFHMAWDLHCXNZ-UHFFFAOYSA-N 0 0 443.485 1.207 50 0 IDAARN C[C@@](O)(CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)c1ccc2c(c1)OCO2 ZINC000206658966 556826594 /nfs/dbraw/zinc/82/65/94/556826594.db2.gz DDFZDZQYTRBZIB-OAQYLSRUSA-N 0 0 430.482 1.437 50 0 IDAARN Cn1c2ncn(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)c2c(=O)n(C)c1=O ZINC000019604520 556831069 /nfs/dbraw/zinc/83/10/69/556831069.db2.gz HLUBMHOJZMAOFD-UHFFFAOYSA-N 0 0 427.848 1.664 50 0 IDAARN O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC(N2CCOCC2)CC1 ZINC000019607727 556831439 /nfs/dbraw/zinc/83/14/39/556831439.db2.gz KZUVEGCHFIMKNK-UHFFFAOYSA-N 0 0 438.488 1.771 50 0 IDAARN CN(C)c1nc(NCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1 ZINC000096558319 556833728 /nfs/dbraw/zinc/83/37/28/556833728.db2.gz WBFOOFKRQHELQW-UHFFFAOYSA-N 0 0 428.324 1.918 50 0 IDAARN CN(c1cccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1)S(C)(=O)=O ZINC000065362685 556834587 /nfs/dbraw/zinc/83/45/87/556834587.db2.gz OLGPSZZPTDVIGD-UHFFFAOYSA-N 0 0 430.530 1.722 50 0 IDAARN COc1cc([C@@H]2CC(=O)c3cnc(N4CCN(CCO)CC4)nc3C2)cc(OC)c1OC ZINC000019636102 556835003 /nfs/dbraw/zinc/83/50/03/556835003.db2.gz QUEMOTAFFLMBBG-HNNXBMFYSA-N 0 0 442.516 1.529 50 0 IDAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)C1=O ZINC000062587247 556838709 /nfs/dbraw/zinc/83/87/09/556838709.db2.gz HXWNWIINZKJYNS-WZONZLPQSA-N 0 0 426.517 1.847 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2N1 ZINC000019680896 556841544 /nfs/dbraw/zinc/84/15/44/556841544.db2.gz IGNUHSBRDJFBQA-UHFFFAOYSA-N 0 0 429.498 1.807 50 0 IDAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)C ZINC000008719426 556843176 /nfs/dbraw/zinc/84/31/76/556843176.db2.gz TUKKPWVZXILFAL-UHFFFAOYSA-N 0 0 425.532 1.748 50 0 IDAARN COc1cccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1 ZINC000067604425 556843624 /nfs/dbraw/zinc/84/36/24/556843624.db2.gz KPOQFLUWYMEJAX-UHFFFAOYSA-N 0 0 428.518 1.799 50 0 IDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc(-c2cccnc2)nc2ccccc21 ZINC000008686489 556844792 /nfs/dbraw/zinc/84/47/92/556844792.db2.gz JHGNZRLRBYOTKT-INIZCTEOSA-N 0 0 425.514 1.821 50 0 IDAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008825358 556849213 /nfs/dbraw/zinc/84/92/13/556849213.db2.gz ULJQCYVVSYIXDB-UHFFFAOYSA-N 0 0 444.488 1.528 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)NCc1ccco1 ZINC000008881683 556850444 /nfs/dbraw/zinc/85/04/44/556850444.db2.gz WIGJTIFWTQSFPX-MUBLQREKSA-N 0 0 441.893 1.670 50 0 IDAARN CN(C)S(=O)(=O)c1cc2c(s1)SCC(=O)N2CC(=O)NCCc1cccs1 ZINC000033131581 556872168 /nfs/dbraw/zinc/87/21/68/556872168.db2.gz HADHOPCQIPZDJY-UHFFFAOYSA-N 0 0 445.613 1.858 50 0 IDAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NCc2ccc(F)cc2)c1=O ZINC000033140929 556876760 /nfs/dbraw/zinc/87/67/60/556876760.db2.gz HGLXXODDVBVEDQ-UHFFFAOYSA-N 0 0 431.493 1.695 50 0 IDAARN CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4C)c(=O)c3s2)C1 ZINC000033141114 556876950 /nfs/dbraw/zinc/87/69/50/556876950.db2.gz UGDFRKDBRBFBMP-AWEZNQCLSA-N 0 0 440.529 1.763 50 0 IDAARN O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000019744953 556891756 /nfs/dbraw/zinc/89/17/56/556891756.db2.gz YYCCCBWTQOUTKS-LJQANCHMSA-N 0 0 427.484 1.993 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3nc4cccnc4n(CC)c3=O)C2)CC1 ZINC000033259355 556894551 /nfs/dbraw/zinc/89/45/51/556894551.db2.gz UANBCQRYPRVVAR-KRWDZBQOSA-N 0 0 441.532 1.830 50 0 IDAARN CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 ZINC000072115956 556897754 /nfs/dbraw/zinc/89/77/54/556897754.db2.gz AIXJVCYOXLCSLM-UHFFFAOYSA-N 0 0 430.578 1.302 50 0 IDAARN COc1ccccc1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000033261954 556900118 /nfs/dbraw/zinc/90/01/18/556900118.db2.gz ZESSBXGANIZJLR-QGZVFWFLSA-N 0 0 445.497 1.496 50 0 IDAARN CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000019799681 556917231 /nfs/dbraw/zinc/91/72/31/556917231.db2.gz WMMMKKPYARNKQI-UHFFFAOYSA-N 0 0 445.549 1.051 50 0 IDAARN CCOC(=O)[C@@H](N)CS[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000019814817 556919539 /nfs/dbraw/zinc/91/95/39/556919539.db2.gz NXQCKDNMDMGVKK-RYUDHWBXSA-N 0 0 448.282 1.547 50 0 IDAARN O=C(C[C@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)NCc1ccccc1 ZINC000019817491 556920132 /nfs/dbraw/zinc/92/01/32/556920132.db2.gz YKJHBWYNMPHPSN-NRFANRHFSA-N 0 0 433.512 1.963 50 0 IDAARN COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C3 ZINC000019821253 556924415 /nfs/dbraw/zinc/92/44/15/556924415.db2.gz QHQQUEAELIQKLQ-CYBMUJFWSA-N 0 0 425.441 1.661 50 0 IDAARN O=C(COC(=O)c1ccco1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000010669347 556930844 /nfs/dbraw/zinc/93/08/44/556930844.db2.gz FQKIMERAVISNBO-UHFFFAOYSA-N 0 0 428.850 1.749 50 0 IDAARN CCN1c2ccccc2N2C1=CC(C(=O)OC)=C(C(=O)OC)[C@@H](C(=O)OC)[C@@H]2C(=O)OC ZINC000019908667 556942726 /nfs/dbraw/zinc/94/27/26/556942726.db2.gz GWVBVFNYYYURBA-QZTJIDSGSA-N 0 0 444.440 1.161 50 0 IDAARN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000019928916 556946842 /nfs/dbraw/zinc/94/68/42/556946842.db2.gz AQELIBDQZOPTDG-UHFFFAOYSA-N 0 0 441.619 1.648 50 0 IDAARN COC(=O)C[C@@H](NC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)C(=O)OC ZINC000019938983 556952884 /nfs/dbraw/zinc/95/28/84/556952884.db2.gz MTXIOJOJMHGPTC-GOSISDBHSA-N 0 0 441.488 1.392 50 0 IDAARN COc1ccccc1NC(=O)CS(=O)(=O)CC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 ZINC000019951429 556954558 /nfs/dbraw/zinc/95/45/58/556954558.db2.gz CXFQEXNGHTYBFB-CYBMUJFWSA-N 0 0 446.481 1.675 50 0 IDAARN O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000019961011 556955305 /nfs/dbraw/zinc/95/53/05/556955305.db2.gz LLPUDVDNJZMTPS-GFCCVEGCSA-N 0 0 448.277 1.434 50 0 IDAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000019961054 556955309 /nfs/dbraw/zinc/95/53/09/556955309.db2.gz SQPAGGSTYRCNLM-GFCCVEGCSA-N 0 0 437.378 1.690 50 0 IDAARN Cc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1S(=O)(=O)NCCN1CCOCC1 ZINC000019999877 556957432 /nfs/dbraw/zinc/95/74/32/556957432.db2.gz WBPNGNANACMFPE-UHFFFAOYSA-N 0 0 428.514 1.509 50 0 IDAARN Cc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1S(=O)(=O)N1CCN(CCO)CC1 ZINC000019999873 556957479 /nfs/dbraw/zinc/95/74/79/556957479.db2.gz SCTGIRJMRGPNOR-UHFFFAOYSA-N 0 0 428.514 1.197 50 0 IDAARN COC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)CC1 ZINC000072434128 556972371 /nfs/dbraw/zinc/97/23/71/556972371.db2.gz VLPYOFRJFBYGIN-UHFFFAOYSA-N 0 0 443.953 1.301 50 0 IDAARN COc1ccccc1[C@H]1NC2=NCN(CCN3CCOCC3)CN2c2nc3ccccc3n21 ZINC000020101478 556980354 /nfs/dbraw/zinc/98/03/54/556980354.db2.gz IUDVUVBXSPSKLJ-QFIPXVFZSA-N 0 0 447.543 1.920 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCCN([C@@H]3CCN(CCOC)C3=O)CC2)cc1 ZINC000097087984 556983298 /nfs/dbraw/zinc/98/32/98/556983298.db2.gz FKCWAMKKOGCSNB-LJQANCHMSA-N 0 0 425.551 1.029 50 0 IDAARN O=C(CCCN1CCCC1=O)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000020109901 556984794 /nfs/dbraw/zinc/98/47/94/556984794.db2.gz CJVNJVREETWIAN-NHCUHLMSSA-N 0 0 432.540 1.312 50 0 IDAARN O=C(c1cc2cc(Br)ccc2[nH]1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097119220 556991367 /nfs/dbraw/zinc/99/13/67/556991367.db2.gz DXWWBNDPHCQRPY-CQSZACIVSA-N 0 0 426.336 1.875 50 0 IDAARN Cc1n[nH]c(C)c1[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000097164525 556994548 /nfs/dbraw/zinc/99/45/48/556994548.db2.gz LUJDFHXWXFSJHN-CQSZACIVSA-N 0 0 434.518 1.206 50 0 IDAARN CN(C)c1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000097166193 556995038 /nfs/dbraw/zinc/99/50/38/556995038.db2.gz OZYCRXPTHRFXLJ-UHFFFAOYSA-N 0 0 429.589 1.946 50 0 IDAARN Cc1ccc(CNC(=O)C[C@@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)cc1 ZINC000096901139 556995076 /nfs/dbraw/zinc/99/50/76/556995076.db2.gz JLULVRILVPQWGD-SFHVURJKSA-N 0 0 432.480 1.646 50 0 IDAARN Cc1cc(=O)[nH]c(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198348 556997615 /nfs/dbraw/zinc/99/76/15/556997615.db2.gz YODINSVODXENGI-SFHVURJKSA-N 0 0 444.538 1.876 50 0 IDAARN COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)N2CCN(c3ccccc3)CC2)=C1 ZINC000020220001 557000455 /nfs/dbraw/zinc/00/04/55/557000455.db2.gz MYYFXSBBDAIPMG-UHFFFAOYSA-N 0 0 440.525 1.907 50 0 IDAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023107264 557001808 /nfs/dbraw/zinc/00/18/08/557001808.db2.gz NOBJTEMIQJLOKS-SFHVURJKSA-N 0 0 429.448 1.725 50 0 IDAARN CCOC(=O)N1CCN(C[C@@H](O)COCCOc2ccccc2Br)CC1 ZINC000023109579 557004174 /nfs/dbraw/zinc/00/41/74/557004174.db2.gz HYSKOQPBTMNYKH-OAHLLOKOSA-N 0 0 431.327 1.980 50 0 IDAARN Cc1ccc([C@@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)[NH+]2CCCC2)o1 ZINC000078726127 557008589 /nfs/dbraw/zinc/00/85/89/557008589.db2.gz MRITWHGHJYBZJO-QGZVFWFLSA-N 0 0 430.530 1.970 50 0 IDAARN CCC(=O)N1CCN(CCNc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)CC1 ZINC000020357479 557011350 /nfs/dbraw/zinc/01/13/50/557011350.db2.gz OGEYFTCJABMTGJ-UHFFFAOYSA-N 0 0 441.532 1.450 50 0 biogenic IDAARN O=C(C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1)c1c[nH]c2ccccc12 ZINC000023134573 557017358 /nfs/dbraw/zinc/01/73/58/557017358.db2.gz SDRPEBCZHVDEHK-UHFFFAOYSA-N 0 0 433.447 1.810 50 0 IDAARN Cc1ccc(C(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1 ZINC000010708216 557019518 /nfs/dbraw/zinc/01/95/18/557019518.db2.gz QJNUWFLNSJZEFV-UHFFFAOYSA-N 0 0 449.577 1.906 50 0 IDAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000010701506 557019824 /nfs/dbraw/zinc/01/98/24/557019824.db2.gz CQKYBIJBZPEGNE-UHFFFAOYSA-N 0 0 429.477 1.297 50 0 IDAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000010703149 557019970 /nfs/dbraw/zinc/01/99/70/557019970.db2.gz NSSSAGLUDHJNKL-QZTJIDSGSA-N 0 0 428.489 1.607 50 0 IDAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)COc1ccc(C)cc1)CC2 ZINC000010705462 557020363 /nfs/dbraw/zinc/02/03/63/557020363.db2.gz QQEYUURDDBNNPD-UHFFFAOYSA-N 0 0 448.541 1.895 50 0 IDAARN Cc1ccc(NC(=O)Cn2nc(C3CCN(S(C)(=O)=O)CC3)n(C)c2=O)cc1Cl ZINC000023141106 557022891 /nfs/dbraw/zinc/02/28/91/557022891.db2.gz DETAPKVWCDKCGP-UHFFFAOYSA-N 0 0 441.941 1.321 50 0 IDAARN CNS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 ZINC000010744940 557023174 /nfs/dbraw/zinc/02/31/74/557023174.db2.gz BRZSWQZWPRKLBA-UHFFFAOYSA-N 0 0 433.349 1.977 50 0 IDAARN Cc1ccc(NC(=O)Cn2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n(C)c2=O)cc1Cl ZINC000023141220 557023284 /nfs/dbraw/zinc/02/32/84/557023284.db2.gz YBAQUEKZJHYKHM-CYBMUJFWSA-N 0 0 441.941 1.321 50 0 IDAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 ZINC000010748568 557023907 /nfs/dbraw/zinc/02/39/07/557023907.db2.gz YQRCYFOELAYWKH-UHFFFAOYSA-N 0 0 444.513 1.648 50 0 IDAARN CC(C)NC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000010796404 557027385 /nfs/dbraw/zinc/02/73/85/557027385.db2.gz FCCOKGMOAPXUFG-UHFFFAOYSA-N 0 0 430.438 1.455 50 0 IDAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000032946565 557033048 /nfs/dbraw/zinc/03/30/48/557033048.db2.gz UXZPOMABICAHDM-UHFFFAOYSA-N 0 0 434.499 1.723 50 0 IDAARN COc1ccc(OCc2nnc(SCC(=O)NCCCN3CCCC3=O)n2C)cc1 ZINC000032946942 557037033 /nfs/dbraw/zinc/03/70/33/557037033.db2.gz SDSMUAZMXUEVPF-UHFFFAOYSA-N 0 0 433.534 1.624 50 0 IDAARN O=C(CCNC(=O)c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2S1(=O)=O ZINC000032947078 557038488 /nfs/dbraw/zinc/03/84/88/557038488.db2.gz JWVDPIJLAAMWPA-UHFFFAOYSA-N 0 0 436.873 1.848 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C[C@H](C)O1 ZINC000017247250 557041692 /nfs/dbraw/zinc/04/16/92/557041692.db2.gz ZXQIEBHFFJMYIP-BETUJISGSA-N 0 0 443.481 1.620 50 0 IDAARN CC1CCN(C(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)CC1 ZINC000017245842 557044289 /nfs/dbraw/zinc/04/42/89/557044289.db2.gz WWBGOLWUCZPYEA-UHFFFAOYSA-N 0 0 440.529 1.585 50 0 IDAARN O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000022920086 557046863 /nfs/dbraw/zinc/04/68/63/557046863.db2.gz GNAJRYCDMFBJJX-RXVVDRJESA-N 0 0 433.599 1.758 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000048235177 557046867 /nfs/dbraw/zinc/04/68/67/557046867.db2.gz BRENAUBTNUJQKD-SFHVURJKSA-N 0 0 426.502 1.055 50 0 IDAARN COc1ccc(OC[C@H](O)CN2CCN(C[C@H](O)COc3ccc(OC)cc3)CC2)cc1 ZINC000022921213 557047302 /nfs/dbraw/zinc/04/73/02/557047302.db2.gz AAUPHOUSNSWUKE-BGYRXZFFSA-N 0 0 446.544 1.501 50 0 IDAARN Cc1c(C(=O)NCCN2CCS(=O)(=O)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000048236996 557047648 /nfs/dbraw/zinc/04/76/48/557047648.db2.gz ZSRASTDHIPPTGN-UHFFFAOYSA-N 0 0 431.440 1.055 50 0 IDAARN CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)C1=O ZINC000017271972 557049486 /nfs/dbraw/zinc/04/94/86/557049486.db2.gz RHKOPVSMKVQFIU-AWEZNQCLSA-N 0 0 448.545 1.469 50 0 IDAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022931832 557050615 /nfs/dbraw/zinc/05/06/15/557050615.db2.gz SKKLGVGWCIZQQL-IBGZPJMESA-N 0 0 445.608 1.669 50 0 IDAARN CS(=O)(=O)c1ccc(N2CCC(NC(=O)c3ccccc3)CC2)c(S(C)(=O)=O)c1 ZINC000048287853 557053278 /nfs/dbraw/zinc/05/32/78/557053278.db2.gz OFDRHNMMHHGGJE-UHFFFAOYSA-N 0 0 436.555 1.892 50 0 IDAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 ZINC000048287709 557053285 /nfs/dbraw/zinc/05/32/85/557053285.db2.gz FEBQMAWAPLUZJI-GFCCVEGCSA-N 0 0 446.460 1.370 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000048290569 557055094 /nfs/dbraw/zinc/05/50/94/557055094.db2.gz JPXFWCGJIQJRJZ-GOSISDBHSA-N 0 0 430.592 1.204 50 0 IDAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 ZINC000048290531 557055135 /nfs/dbraw/zinc/05/51/35/557055135.db2.gz LSLASLVINATLLT-CQSZACIVSA-N 0 0 428.470 1.231 50 0 IDAARN O=C(CN1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1)N1CCCCCC1 ZINC000022977213 557055309 /nfs/dbraw/zinc/05/53/09/557055309.db2.gz FDIJLKDGZZWAMK-UHFFFAOYSA-N 0 0 442.612 1.597 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000048291095 557055667 /nfs/dbraw/zinc/05/56/67/557055667.db2.gz FJCOHBOMEGKKDV-FQEVSTJZSA-N 0 0 446.573 1.394 50 0 IDAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1=O ZINC000048291073 557055826 /nfs/dbraw/zinc/05/58/26/557055826.db2.gz UKPJGIRIYKQSBX-SFHVURJKSA-N 0 0 436.516 1.865 50 0 IDAARN Cc1cc(N2CCOCC2)ccc1NC(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000048275815 557056019 /nfs/dbraw/zinc/05/60/19/557056019.db2.gz UDWQPURBYUTZNA-IRXDYDNUSA-N 0 0 440.566 1.392 50 0 IDAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCc1ccc(-n2cncn2)nc1 ZINC000048277629 557056834 /nfs/dbraw/zinc/05/68/34/557056834.db2.gz ICWIZUTYPDTCFS-UHFFFAOYSA-N 0 0 431.382 1.595 50 0 IDAARN CC(C)Cn1c(CCC(N)=O)nnc1SCCC(=O)NC(=O)NCc1ccccc1 ZINC000023007090 557057067 /nfs/dbraw/zinc/05/70/67/557057067.db2.gz PRTZGBLDVFXRHX-UHFFFAOYSA-N 0 0 432.550 1.860 50 0 IDAARN CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)cc2S1(=O)=O ZINC000048303422 557058714 /nfs/dbraw/zinc/05/87/14/557058714.db2.gz LOLYFJZHMKMYBH-INIZCTEOSA-N 0 0 433.530 1.618 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 ZINC000023043215 557059409 /nfs/dbraw/zinc/05/94/09/557059409.db2.gz ORHHGFZCKZTOBD-UHFFFAOYSA-N 0 0 439.497 1.912 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000023053936 557060077 /nfs/dbraw/zinc/06/00/77/557060077.db2.gz IZJXHPYEZQWZJC-INIZCTEOSA-N 0 0 431.514 1.971 50 0 IDAARN COc1cccc(CNS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1 ZINC000033279565 557062203 /nfs/dbraw/zinc/06/22/03/557062203.db2.gz KURPKFYDSYBENV-UHFFFAOYSA-N 0 0 431.474 1.788 50 0 IDAARN Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCOCC4)o3)c2)cc1C ZINC000033279575 557062342 /nfs/dbraw/zinc/06/23/42/557062342.db2.gz IJBIDBWHYSZSAX-UHFFFAOYSA-N 0 0 431.474 1.955 50 0 IDAARN CC(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000048302401 557063716 /nfs/dbraw/zinc/06/37/16/557063716.db2.gz OIYJKMYIZBAZKP-HOTGVXAUSA-N 0 0 437.562 1.473 50 0 IDAARN C[C@H]1CN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CCN1C ZINC000023129571 557066365 /nfs/dbraw/zinc/06/63/65/557066365.db2.gz DLOLNVACXGYWQT-BXKMTCNYSA-N 0 0 438.503 1.970 50 0 IDAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000048326524 557068788 /nfs/dbraw/zinc/06/87/88/557068788.db2.gz TYBRKYCIVVYTMO-OAHLLOKOSA-N 0 0 438.467 1.978 50 0 IDAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC000023184097 557071205 /nfs/dbraw/zinc/07/12/05/557071205.db2.gz FKDZHVNEPAQCBP-OAHLLOKOSA-N 0 0 429.498 1.879 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)cc1 ZINC000023186809 557071898 /nfs/dbraw/zinc/07/18/98/557071898.db2.gz RHUPJUVTQBCYDU-GOSISDBHSA-N 0 0 443.591 1.078 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)CNC(=O)[C@@H]3C[C@@H]3C)c2)cc1 ZINC000023190413 557072339 /nfs/dbraw/zinc/07/23/39/557072339.db2.gz VOPXWRMELMSDCT-BLLLJJGKSA-N 0 0 433.486 1.912 50 0 IDAARN COc1cc(OC)nc(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000010892454 557073555 /nfs/dbraw/zinc/07/35/55/557073555.db2.gz KKXRBXVDTIPVNH-UHFFFAOYSA-N 0 0 446.504 1.698 50 0 IDAARN O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NC(=O)c1cccs1 ZINC000023220372 557073813 /nfs/dbraw/zinc/07/38/13/557073813.db2.gz ZMVVLJJTUJTCMV-HNNXBMFYSA-N 0 0 436.511 1.791 50 0 IDAARN O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NC(=O)c1cccs1 ZINC000023220374 557073981 /nfs/dbraw/zinc/07/39/81/557073981.db2.gz ZMVVLJJTUJTCMV-OAHLLOKOSA-N 0 0 436.511 1.791 50 0 IDAARN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000023247989 557078029 /nfs/dbraw/zinc/07/80/29/557078029.db2.gz JGCJAUSVWSWPCT-GOSISDBHSA-N 0 0 427.549 1.380 50 0 IDAARN Cc1ccc2c(ncc(C(=O)N3CCOCC3)c2Nc2ccc(S(N)(=O)=O)cc2)n1 ZINC000049004853 557083963 /nfs/dbraw/zinc/08/39/63/557083963.db2.gz BZOBNKDJQPWHBI-UHFFFAOYSA-N 0 0 427.486 1.802 50 0 IDAARN COCCN(CCOC)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000023329965 557084494 /nfs/dbraw/zinc/08/44/94/557084494.db2.gz RPVNUTBMQOBQCW-UHFFFAOYSA-N 0 0 427.567 1.785 50 0 IDAARN CCCCn1c(CN2CCC(C(N)=O)(N3CCCCC3)CC2)cnc1S(=O)(=O)CC ZINC000023340558 557086043 /nfs/dbraw/zinc/08/60/43/557086043.db2.gz PQQVGRLCVHMKPV-UHFFFAOYSA-N 0 0 439.626 1.783 50 0 IDAARN Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)CCS(=O)(=O)c3ccccc3)n2)s1 ZINC000049030827 557089239 /nfs/dbraw/zinc/08/92/39/557089239.db2.gz IBNWHCMTFGRQAD-UHFFFAOYSA-N 0 0 446.554 1.964 50 0 IDAARN COc1ccc(CNC(=O)Cn2nc3c4sc(N5CCCC5)nc4ncn3c2=O)cc1 ZINC000033309123 557090656 /nfs/dbraw/zinc/09/06/56/557090656.db2.gz WPQXPKFCSBYNOZ-UHFFFAOYSA-N 0 0 439.501 1.426 50 0 IDAARN O=C(Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O)NCc1cc(F)cc(F)c1 ZINC000033309184 557090722 /nfs/dbraw/zinc/09/07/22/557090722.db2.gz HFMOVUTVLJYPMF-UHFFFAOYSA-N 0 0 445.455 1.696 50 0 IDAARN CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000049390848 557094974 /nfs/dbraw/zinc/09/49/74/557094974.db2.gz SXGBVKJVHQREEX-UHFFFAOYSA-N 0 0 446.485 1.710 50 0 IDAARN COc1cc(NC(=O)Cn2nc3c(N4CCC[C@H](C)C4)nccn3c2=O)cc(OC)c1 ZINC000049399840 557095706 /nfs/dbraw/zinc/09/57/06/557095706.db2.gz IRMKSGDYNKUERL-AWEZNQCLSA-N 0 0 426.477 1.783 50 0 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CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(NS(C)(=O)=O)CC2)nc1 ZINC000025046623 557190660 /nfs/dbraw/zinc/19/06/60/557190660.db2.gz JKDFGUVERAGSTI-UHFFFAOYSA-N 0 0 438.575 1.815 50 0 IDAARN CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000025083377 557194842 /nfs/dbraw/zinc/19/48/42/557194842.db2.gz LLDCKYPYXLJBCR-HNNXBMFYSA-N 0 0 446.367 1.491 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1Cl ZINC000100876582 557195145 /nfs/dbraw/zinc/19/51/45/557195145.db2.gz DQRCWEOLQGBGHO-JZJYNLBNSA-N 0 0 439.902 1.918 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000025104907 557195460 /nfs/dbraw/zinc/19/54/60/557195460.db2.gz WMJQHKKDGVUGNP-UHFFFAOYSA-N 0 0 427.500 1.576 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc(F)c1 ZINC000100877429 557196245 /nfs/dbraw/zinc/19/62/45/557196245.db2.gz IBMCMMKYHLAEGZ-UZYVYHOESA-N 0 0 437.474 1.794 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)n1-c1ccc(C(N)=O)cc1 ZINC000072233884 557199190 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CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1=O ZINC000025399330 557208033 /nfs/dbraw/zinc/20/80/33/557208033.db2.gz WNINSBCKWMHIGO-LJQANCHMSA-N 0 0 440.500 1.274 50 0 IDAARN C[C@H]1c2cc(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)ccc2NC1=O ZINC000100969412 557208899 /nfs/dbraw/zinc/20/88/99/557208899.db2.gz WLDQEENCJRLNMB-NWDGAFQWSA-N 0 0 434.543 1.823 50 0 IDAARN CCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(CC(=O)OCc1ccccc1)c(=O)n2C ZINC000011613338 557209278 /nfs/dbraw/zinc/20/92/78/557209278.db2.gz ONBLQFYYLILCKL-UHFFFAOYSA-N 0 0 436.472 1.463 50 0 IDAARN CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000025453105 557210461 /nfs/dbraw/zinc/21/04/61/557210461.db2.gz KKORFAWJPWZZDE-UHFFFAOYSA-N 0 0 440.547 1.484 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)c1 ZINC000169763892 557211230 /nfs/dbraw/zinc/21/12/30/557211230.db2.gz MEQSWWXBJROPHM-UHFFFAOYSA-N 0 0 441.444 1.361 50 0 IDAARN CCOc1ccccc1NC(=O)Cn1c(=O)c(-c2noc(C)n2)c2n(c1=O)CCCC2 ZINC000169763898 557211269 /nfs/dbraw/zinc/21/12/69/557211269.db2.gz IRDYSHHXUDNDCZ-UHFFFAOYSA-N 0 0 425.445 1.742 50 0 IDAARN O=C(CN(C1=N[C@@H]2CS(=O)(=O)C[C@H]2S1)c1cccc(Cl)c1)NC[C@H]1CCCO1 ZINC000247741136 557211472 /nfs/dbraw/zinc/21/14/72/557211472.db2.gz OEYVVIRDVTWOMY-BZUAXINKSA-N 0 0 443.978 1.710 50 0 IDAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)C1=O ZINC000025573429 557215359 /nfs/dbraw/zinc/21/53/59/557215359.db2.gz QYUFTCOSOHXTKX-WOJBJXKFSA-N 0 0 439.509 1.456 50 0 IDAARN O=c1c2ccccc2nnn1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000025664908 557220622 /nfs/dbraw/zinc/22/06/22/557220622.db2.gz ANSOOXBTQSHGRJ-UHFFFAOYSA-N 0 0 425.514 1.244 50 0 IDAARN CN(CC(=O)Nc1ccccc1Br)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000018019406 557221105 /nfs/dbraw/zinc/22/11/05/557221105.db2.gz BBRIENJBLHHQNO-UHFFFAOYSA-N 0 0 445.273 1.962 50 0 IDAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N1CCOCC1 ZINC000025748766 557224118 /nfs/dbraw/zinc/22/41/18/557224118.db2.gz QKSYEPLBPOQFND-INIZCTEOSA-N 0 0 447.598 1.453 50 0 IDAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCOCC2)cc1OC ZINC000000804391 557224253 /nfs/dbraw/zinc/22/42/53/557224253.db2.gz AZIQZANTUYCTMG-IBGZPJMESA-N 0 0 446.525 1.678 50 0 IDAARN CC(=O)OC[C@H]1O[C@@H](Sc2ccccn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000025759079 557224576 /nfs/dbraw/zinc/22/45/76/557224576.db2.gz MGGZRMLMASJEHA-FTWQHDNSSA-N 0 0 441.458 1.257 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)c1C ZINC000025934990 557230607 /nfs/dbraw/zinc/23/06/07/557230607.db2.gz LPGWFMQCAGCPSE-UHFFFAOYSA-N 0 0 425.493 1.490 50 0 IDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000026041487 557232630 /nfs/dbraw/zinc/23/26/30/557232630.db2.gz PCNCUPMQPUDSPE-UHFFFAOYSA-N 0 0 449.460 1.567 50 0 IDAARN O=c1n(Cc2noc(-c3cccs3)n2)nc2n1CCN(Cc1ccccc1F)C2=O ZINC000098213054 557236036 /nfs/dbraw/zinc/23/60/36/557236036.db2.gz HLYAFWGQDAFMIV-UHFFFAOYSA-N 0 0 426.433 2.000 50 0 IDAARN Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)cc1F ZINC000098213092 557236289 /nfs/dbraw/zinc/23/62/89/557236289.db2.gz BMXAXSRRLPXVEA-UHFFFAOYSA-N 0 0 427.411 1.926 50 0 IDAARN Cc1cccc(CN2CCn3c(=O)n(CC(=O)Nc4ccc(F)c(F)c4)nc3C2=O)c1 ZINC000098213159 557236291 /nfs/dbraw/zinc/23/62/91/557236291.db2.gz BDDXUILENFGFAY-UHFFFAOYSA-N 0 0 427.411 1.926 50 0 IDAARN COc1cccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)c1 ZINC000098213060 557236307 /nfs/dbraw/zinc/23/63/07/557236307.db2.gz VKQIRHBEMHWSHI-UHFFFAOYSA-N 0 0 425.420 1.487 50 0 IDAARN COc1ccccc1NC(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O ZINC000098213175 557236645 /nfs/dbraw/zinc/23/66/45/557236645.db2.gz CWPVUFBWUVJRCT-UHFFFAOYSA-N 0 0 425.420 1.487 50 0 IDAARN CCn1c2ccc(C(=O)N3CCN(CC(=O)Nc4ccc(C)cc4)CC3)cc2[nH]c(=O)c1=O ZINC000018132775 557242480 /nfs/dbraw/zinc/24/24/80/557242480.db2.gz QBMTVKBFIZEUMN-UHFFFAOYSA-N 0 0 449.511 1.415 50 0 IDAARN O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000026562948 557244932 /nfs/dbraw/zinc/24/49/32/557244932.db2.gz QEBWKZOJSIQDPP-INIZCTEOSA-N 0 0 438.937 1.154 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4o3)CC2)c1 ZINC000026728128 557247157 /nfs/dbraw/zinc/24/71/57/557247157.db2.gz UDRCGRVDAHYLDK-UHFFFAOYSA-N 0 0 442.497 1.477 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)nn4)CC3)C2=O)cc1 ZINC000100205785 557247587 /nfs/dbraw/zinc/24/75/87/557247587.db2.gz MHPPPRVNYOPOHE-INIZCTEOSA-N 0 0 443.891 1.761 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000014000240 557258374 /nfs/dbraw/zinc/25/83/74/557258374.db2.gz MRCPGNNGRZIBHC-WMLDXEAASA-N 0 0 441.532 1.716 50 0 IDAARN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000027342630 557260634 /nfs/dbraw/zinc/26/06/34/557260634.db2.gz PZMGDXKLYLJQFL-OAQYLSRUSA-N 0 0 425.533 1.791 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCN(Cc2cc(C)no2)CC1 ZINC000027562947 557265543 /nfs/dbraw/zinc/26/55/43/557265543.db2.gz RJQARROFVLDUMM-UHFFFAOYSA-N 0 0 446.577 1.921 50 0 IDAARN CCOC(=O)[C@H](N)CS[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000100749712 557275794 /nfs/dbraw/zinc/27/57/94/557275794.db2.gz NXQCKDNMDMGVKK-VXGBXAGGSA-N 0 0 448.282 1.547 50 0 IDAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N/C(=O)c1cc(C)nn1CC ZINC000101342214 557279077 /nfs/dbraw/zinc/27/90/77/557279077.db2.gz MGHMQXZWNOOMNQ-CZIZESTLSA-N 0 0 437.547 1.653 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccn(CC)n1 ZINC000101344583 557279464 /nfs/dbraw/zinc/27/94/64/557279464.db2.gz SWEJRAZIFSUXSZ-HNENSFHCSA-N 0 0 436.515 1.627 50 0 IDAARN CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccccc3OC)c2=O)C[C@@H]1c1cccnc1 ZINC000101401093 557280207 /nfs/dbraw/zinc/28/02/07/557280207.db2.gz ZXFJWEGOYGOCNF-MRXNPFEDSA-N 0 0 435.440 1.723 50 0 IDAARN C[C@H]1c2cc(NC(=O)C(=O)NC[C@]3(O)CCOc4ccccc43)cc3c2N(CCC3)C1=O ZINC000101449195 557285573 /nfs/dbraw/zinc/28/55/73/557285573.db2.gz NDKUWWVRFZAQRT-LFPIHBKWSA-N 0 0 435.480 1.808 50 0 IDAARN C[C@H]1c2cc(NC(=O)C(=O)NC[C@@]3(O)CCOc4ccccc43)cc3c2N(CCC3)C1=O ZINC000101449199 557285619 /nfs/dbraw/zinc/28/56/19/557285619.db2.gz NDKUWWVRFZAQRT-BSEYFRJRSA-N 0 0 435.480 1.808 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000101277803 557285822 /nfs/dbraw/zinc/28/58/22/557285822.db2.gz LUOLYKBLRRPEAM-HZPDHXFCSA-N 0 0 428.876 1.941 50 0 IDAARN CCC[C@@H]1C(=O)NCCN1C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000095451910 557293456 /nfs/dbraw/zinc/29/34/56/557293456.db2.gz CLZKPAFYSWNUOE-CQSZACIVSA-N 0 0 432.340 1.245 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000031807711 557294115 /nfs/dbraw/zinc/29/41/15/557294115.db2.gz VZLUUXZWYQKDLD-CQSZACIVSA-N 0 0 426.539 1.001 50 0 IDAARN CC(C)(C)OC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000101687129 557295080 /nfs/dbraw/zinc/29/50/80/557295080.db2.gz WOCKKTAXMOZQBH-GOSISDBHSA-N 0 0 440.378 1.819 50 0 IDAARN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000014092838 557302135 /nfs/dbraw/zinc/30/21/35/557302135.db2.gz TWHPOSWVQJMFHU-LBPRGKRZSA-N 0 0 427.552 1.787 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCC(=O)NC(C)(C)CC(C)=O)CC2)cc1 ZINC000014129578 557308190 /nfs/dbraw/zinc/30/81/90/557308190.db2.gz YYKOJVQOPOOSRK-UHFFFAOYSA-N 0 0 425.551 1.266 50 0 IDAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCN(c2ccccc2F)CC1 ZINC000018493526 557312218 /nfs/dbraw/zinc/31/22/18/557312218.db2.gz IKABAYGKCKAIOD-HSZRJFAPSA-N 0 0 438.459 1.704 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCN(c2ccccc2F)CC1 ZINC000018493529 557312279 /nfs/dbraw/zinc/31/22/79/557312279.db2.gz IKABAYGKCKAIOD-QHCPKHFHSA-N 0 0 438.459 1.704 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000014167699 557312955 /nfs/dbraw/zinc/31/29/55/557312955.db2.gz DCFHHEPVRAMMQU-SJLPKXTDSA-N 0 0 426.535 1.479 50 0 IDAARN COc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OC ZINC000102128877 557313176 /nfs/dbraw/zinc/31/31/76/557313176.db2.gz ISJPCFBAGOXDRP-HOTGVXAUSA-N 0 0 430.457 1.205 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014184847 557314006 /nfs/dbraw/zinc/31/40/06/557314006.db2.gz FOOWWCQDWAYQCK-CSNVJCEJSA-N 0 0 436.530 1.973 50 0 IDAARN C[C@@H](OC(=O)[C@H]1COc2ccccc2C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000032823879 557316563 /nfs/dbraw/zinc/31/65/63/557316563.db2.gz FQNXNTIUYWUZON-RHSMWYFYSA-N 0 0 432.498 1.176 50 0 IDAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000102290054 557317729 /nfs/dbraw/zinc/31/77/29/557317729.db2.gz XWTJMWUHTIHIGX-CALCHBBNSA-N 0 0 435.546 1.307 50 0 IDAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)NC3CC3)CC2)s1 ZINC000033024666 557321225 /nfs/dbraw/zinc/32/12/25/557321225.db2.gz KPNOAZSXKJEBOI-UHFFFAOYSA-N 0 0 443.485 1.650 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OC ZINC000102439145 557322854 /nfs/dbraw/zinc/32/28/54/557322854.db2.gz DDEFJHHJRVDANA-BORJPKMPSA-N 0 0 426.535 1.802 50 0 IDAARN C[NH+](C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033263388 557330183 /nfs/dbraw/zinc/33/01/83/557330183.db2.gz XAMPXXQISJVMSR-CQSZACIVSA-N 0 0 430.534 1.320 50 0 IDAARN COCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263185 557330204 /nfs/dbraw/zinc/33/02/04/557330204.db2.gz GBWUEWXAZNPPIX-LBPRGKRZSA-N 0 0 435.481 1.544 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000221987572 557330400 /nfs/dbraw/zinc/33/04/00/557330400.db2.gz WELJPYWBBFTMBQ-GXTWGEPZSA-N 0 0 439.408 1.726 50 0 IDAARN COc1ccc(C2(c3nc(Cn4cnc(S(=O)(=O)N5CCOCC5)c4)no3)CC2)cc1 ZINC000033281741 557331611 /nfs/dbraw/zinc/33/16/11/557331611.db2.gz FXDDITDYGQAALC-UHFFFAOYSA-N 0 0 445.501 1.424 50 0 IDAARN C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000024756795 557332796 /nfs/dbraw/zinc/33/27/96/557332796.db2.gz GYEFWVKFYANGKH-SWLSCSKDSA-N 0 0 444.351 1.054 50 0 IDAARN O=C(Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O)NCc1ccc(F)cc1 ZINC000033309135 557333577 /nfs/dbraw/zinc/33/35/77/557333577.db2.gz VFLLQYXFGDCQOP-UHFFFAOYSA-N 0 0 427.465 1.556 50 0 IDAARN COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000222256155 557334955 /nfs/dbraw/zinc/33/49/55/557334955.db2.gz XQXIDAKSCBEZAG-XLSPSMHOSA-N 0 0 439.578 1.198 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(OCC)cc2)c(=O)[nH]c1=O ZINC000014624287 557345636 /nfs/dbraw/zinc/34/56/36/557345636.db2.gz ZEXYBSWRJBNGRN-UHFFFAOYSA-N 0 0 434.493 1.376 50 0 IDAARN O=C(CN1CCN([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1)N1CCCCC1 ZINC000102510934 557349802 /nfs/dbraw/zinc/34/98/02/557349802.db2.gz SGPKARZTWNCMAV-SFHVURJKSA-N 0 0 436.915 1.741 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(-n3cccn3)cc2)cc1 ZINC000014677410 557353091 /nfs/dbraw/zinc/35/30/91/557353091.db2.gz UEGABLYYIXMWLS-UHFFFAOYSA-N 0 0 428.470 1.852 50 0 IDAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000023563737 557366795 /nfs/dbraw/zinc/36/67/95/557366795.db2.gz CMOCLAPLNJWRPN-LLVKDONJSA-N 0 0 430.379 1.878 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435722 557397960 /nfs/dbraw/zinc/39/79/60/557397960.db2.gz GGBYNLHNGPXDBB-ZNMIVQPWSA-N 0 0 435.933 1.814 50 0 IDAARN O=C(NC[C@H]1CCCO1)c1nnsc1NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435743 557397982 /nfs/dbraw/zinc/39/79/82/557397982.db2.gz HGZQHCFOWDSHNS-HZSPNIEDSA-N 0 0 444.517 1.260 50 0 IDAARN O=C(Nc1snnc1C(=O)N1CCCCC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435758 557398055 /nfs/dbraw/zinc/39/80/55/557398055.db2.gz ZDILWHZPLBXACU-KGLIPLIRSA-N 0 0 428.518 1.977 50 0 IDAARN COC(=O)CC1CCN(C(=O)[C@H]2CCCN(C(=O)CNC(=O)c3ccccc3)C2)CC1 ZINC000072405938 557398982 /nfs/dbraw/zinc/39/89/82/557398982.db2.gz SNTDEPJHKKSFMX-IBGZPJMESA-N 0 0 429.517 1.457 50 0 IDAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccn(C(C)C)n3)c2)CC1 ZINC000408521364 557413520 /nfs/dbraw/zinc/41/35/20/557413520.db2.gz QSQLBWOWZIYUPY-SFHVURJKSA-N 0 0 449.577 1.794 50 0 IDAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3oc(C)nc3C)cc2)CC1 ZINC000408521492 557413666 /nfs/dbraw/zinc/41/36/66/557413666.db2.gz WJFPFTSUSIEXIQ-KRWDZBQOSA-N 0 0 436.534 1.621 50 0 IDAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3c(C)noc3C)c2)CC1 ZINC000408525206 557413873 /nfs/dbraw/zinc/41/38/73/557413873.db2.gz PGBVXTUFWBQHPH-KRWDZBQOSA-N 0 0 436.534 1.621 50 0 IDAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1F ZINC000102988119 557414334 /nfs/dbraw/zinc/41/43/34/557414334.db2.gz FURFGKUPWNKBTQ-SFHVURJKSA-N 0 0 435.452 1.603 50 0 IDAARN COc1cccc(/C=C2/SC(=O)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)c1 ZINC000033585689 557415001 /nfs/dbraw/zinc/41/50/01/557415001.db2.gz XUTAXMXYCRHFEI-DSQDWWTGSA-N 0 0 438.527 1.767 50 0 IDAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000103673421 557440034 /nfs/dbraw/zinc/44/00/34/557440034.db2.gz XLFMQWRYWBHHCP-CWRNSKLLSA-N 0 0 430.892 1.863 50 0 IDAARN C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000014675871 557449224 /nfs/dbraw/zinc/44/92/24/557449224.db2.gz LHFLFMOKNBVBDT-GOSISDBHSA-N 0 0 449.507 1.949 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N[C@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000223235629 557449493 /nfs/dbraw/zinc/44/94/93/557449493.db2.gz ILRDIIGDCWALPJ-RHSMWYFYSA-N 0 0 436.472 1.816 50 0 IDAARN C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000104696315 557458682 /nfs/dbraw/zinc/45/86/82/557458682.db2.gz UVGXSJMCULIMPF-WTOJCKNJSA-N 0 0 438.527 1.193 50 0 IDAARN C/C=C/C=C/C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000016043774 557469122 /nfs/dbraw/zinc/46/91/22/557469122.db2.gz PJTHVYUHGVIERU-MQQKCMAXSA-N 0 0 428.894 1.975 50 0 IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105381087 557497325 /nfs/dbraw/zinc/49/73/25/557497325.db2.gz TYWOLZGGOZTIIF-MPHKBZTNSA-N 0 0 433.508 1.593 50 0 biogenic IDAARN COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC ZINC000036589892 557516826 /nfs/dbraw/zinc/51/68/26/557516826.db2.gz MWVQTIUVCSEGKD-PXAZEXFGSA-N 0 0 440.378 1.589 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000012030684 557524004 /nfs/dbraw/zinc/52/40/04/557524004.db2.gz TYADTIDXRDSWDA-GOSISDBHSA-N 0 0 436.511 1.858 50 0 IDAARN O=C(c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1)N1CCN(c2ccccn2)CC1 ZINC000012029579 557524933 /nfs/dbraw/zinc/52/49/33/557524933.db2.gz VJMBVAWVUCOVDG-SFHVURJKSA-N 0 0 449.554 1.005 50 0 IDAARN Cn1c(=O)cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)n(C)c1=O ZINC000012052263 557525691 /nfs/dbraw/zinc/52/56/91/557525691.db2.gz MCTHFIJPLACOFP-MRXNPFEDSA-N 0 0 425.464 1.852 50 0 IDAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCOC)C3)c(C)cc2NC1=O ZINC000106304418 557528005 /nfs/dbraw/zinc/52/80/05/557528005.db2.gz ARAYIIKKNCKUPS-ZBFHGGJFSA-N 0 0 439.534 1.268 50 0 IDAARN CC(=O)N[C@@H]1[C@H](Oc2ccccc2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000106384114 557528585 /nfs/dbraw/zinc/52/85/85/557528585.db2.gz KJHQVFWBNCVROC-VIYGXFRKSA-N 0 0 437.445 1.030 50 0 IDAARN Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000106670713 557531126 /nfs/dbraw/zinc/53/11/26/557531126.db2.gz ONJOLLPGLQJAAY-KBPBESRZSA-N 0 0 433.534 1.143 50 0 IDAARN CC(C)C[C@H](C(=O)N(C)C[C@H](O)COCCOC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000107067723 557534494 /nfs/dbraw/zinc/53/44/94/557534494.db2.gz HFWAGDMXHQTNFB-LWYYNNOASA-N 0 0 438.565 1.613 50 0 IDAARN COc1ccc(CCNC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)cc1 ZINC000044893634 557539914 /nfs/dbraw/zinc/53/99/14/557539914.db2.gz CWWDWPDJZQWONS-UHFFFAOYSA-N 0 0 447.539 1.937 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)cc2C[C@@H]1C ZINC000108993482 557545059 /nfs/dbraw/zinc/54/50/59/557545059.db2.gz MTHJBYFAVDVMMB-QWHCGFSZSA-N 0 0 449.554 1.771 50 0 IDAARN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000108977648 557545134 /nfs/dbraw/zinc/54/51/34/557545134.db2.gz UWRSMHYKYWQDQM-AZUAARDMSA-N 0 0 438.553 1.991 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCCC3)ccc2N(CC(=O)NC[C@@H]2CCCO2)C1=O ZINC000045913108 557547247 /nfs/dbraw/zinc/54/72/47/557547247.db2.gz TUOCEKDBTSDLIT-HNNXBMFYSA-N 0 0 435.546 1.391 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCc3cccs3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946345 557550752 /nfs/dbraw/zinc/55/07/52/557550752.db2.gz XHSKGMINNVAZIP-UHFFFAOYSA-N 0 0 438.469 1.764 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCc3ccc(C)cc3)n2)nn(-c2ccccc2)c1=O ZINC000045945633 557554067 /nfs/dbraw/zinc/55/40/67/557554067.db2.gz QVWPVTBQURKDAW-UHFFFAOYSA-N 0 0 432.440 1.703 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCc3cccs3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045945936 557554363 /nfs/dbraw/zinc/55/43/63/557554363.db2.gz LNIJGCVOTICYTO-UHFFFAOYSA-N 0 0 442.432 1.595 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCSCC3)sc2c1=O ZINC000045970647 557558079 /nfs/dbraw/zinc/55/80/79/557558079.db2.gz UESHETJNWVXVHX-UHFFFAOYSA-N 0 0 445.526 1.832 50 0 IDAARN O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC1 ZINC000040106794 557692122 /nfs/dbraw/zinc/69/21/22/557692122.db2.gz SOEAWJIMBFWSTI-UHFFFAOYSA-N 0 0 445.541 1.981 50 0 IDAARN CCCc1nc(CN2CCO[C@@H](CN(CC(=O)OC(C)(C)C)S(C)(=O)=O)C2)cs1 ZINC000225403922 557718891 /nfs/dbraw/zinc/71/88/91/557718891.db2.gz DQWPWTKKYYKTQE-MRXNPFEDSA-N 0 0 447.623 1.900 50 0 IDAARN COCCn1cc([C@@H]2[C@H](C(=O)NC[C@H](C)CN3CCOCC3)CC(=O)N2C(C)(C)C)cn1 ZINC000225456982 557725037 /nfs/dbraw/zinc/72/50/37/557725037.db2.gz CXZFREUDMVKACZ-FBBABVLZSA-N 0 0 449.596 1.302 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N3CCn4c(nnc4-c4cccnc4)C3)CC2=O)cc1OC ZINC000225486592 557728631 /nfs/dbraw/zinc/72/86/31/557728631.db2.gz BQBYRIAVNBSVBY-MRXNPFEDSA-N 0 0 448.483 1.753 50 0 IDAARN C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1nncn1C ZINC000225579107 557746184 /nfs/dbraw/zinc/74/61/84/557746184.db2.gz ZLQSJHOJKGDFMQ-LLVKDONJSA-N 0 0 430.328 1.166 50 0 IDAARN CCN1CCN(c2nc3ncn(C[C@@H](O)COc4cccc(C)c4)c(=O)c3s2)CC1 ZINC000225660328 557758591 /nfs/dbraw/zinc/75/85/91/557758591.db2.gz RVPBORNSBRAGJG-MRXNPFEDSA-N 0 0 429.546 1.743 50 0 IDAARN Cn1cc([C@@H]2C[S@@](=O)CCN2Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cn1 ZINC000225667324 557759935 /nfs/dbraw/zinc/75/99/35/557759935.db2.gz ZNMCIFBINBVLON-WNNBVUDTSA-N 0 0 425.440 1.720 50 0 IDAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1 ZINC000030595755 557777403 /nfs/dbraw/zinc/77/74/03/557777403.db2.gz UMTZKGQVCHUYDT-ZDUSSCGKSA-N 0 0 433.324 1.470 50 0 IDAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000225800213 557778884 /nfs/dbraw/zinc/77/88/84/557778884.db2.gz XJNTYGJHMZDTNC-INIZCTEOSA-N 0 0 429.864 1.577 50 0 IDAARN CCN(C(=O)[C@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000018520083 557811341 /nfs/dbraw/zinc/81/13/41/557811341.db2.gz VRFITMBRXMCQNK-WCQYABFASA-N 0 0 431.894 1.692 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C2)c(=O)[nH]c1=O ZINC000229495958 557832562 /nfs/dbraw/zinc/83/25/62/557832562.db2.gz XCTBDAMNTWAMOW-QKPAOTATSA-N 0 0 433.553 1.555 50 0 IDAARN O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(CC(F)F)CC1 ZINC000241466180 557846649 /nfs/dbraw/zinc/84/66/49/557846649.db2.gz NVHDCBLNIQGDPH-CQSZACIVSA-N 0 0 437.896 1.139 50 0 IDAARN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(C2CCC2)CC1 ZINC000242273822 557847576 /nfs/dbraw/zinc/84/75/76/557847576.db2.gz YGBWMRAGSSPGIA-KRWDZBQOSA-N 0 0 427.954 1.426 50 0 IDAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000242346906 557847689 /nfs/dbraw/zinc/84/76/89/557847689.db2.gz ZKBYTEYSXLIDTE-INIZCTEOSA-N 0 0 441.475 1.817 50 0 IDAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(O)cc1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(c3ccc(O)cc3)C(=O)[C@@H]21 ZINC000245231980 557849894 /nfs/dbraw/zinc/84/98/94/557849894.db2.gz NLZXLQPOFRCKRZ-XETNVZRVSA-N 0 0 430.416 1.825 50 0 IDAARN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000018821767 557860478 /nfs/dbraw/zinc/86/04/78/557860478.db2.gz PRQVKFFDCABAAB-INIZCTEOSA-N 0 0 431.489 1.712 50 0 IDAARN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)c1 ZINC000002616916 562928350 /nfs/dbraw/zinc/92/83/50/562928350.db2.gz NSCRQTMYGAGTQW-IBGZPJMESA-N 0 0 440.456 1.764 50 0 IDAARN COc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 ZINC000002617937 562928429 /nfs/dbraw/zinc/92/84/29/562928429.db2.gz YFOZXRLUDKEKET-UHFFFAOYSA-N 0 0 434.470 1.626 50 0 IDAARN COC[C@@H](C)n1c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O ZINC000002619597 562928461 /nfs/dbraw/zinc/92/84/61/562928461.db2.gz OHODDAOJSYKKKF-ZIAGYGMSSA-N 0 0 439.559 1.342 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 ZINC000002620114 562928506 /nfs/dbraw/zinc/92/85/06/562928506.db2.gz OPZJNMIUJYEZEY-OAQYLSRUSA-N 0 0 442.497 1.269 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c(=O)n(C)c1=O ZINC000002622081 562928584 /nfs/dbraw/zinc/92/85/84/562928584.db2.gz PDPXPSFGKVOGSM-UHFFFAOYSA-N 0 0 425.441 1.684 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000002655460 562929497 /nfs/dbraw/zinc/92/94/97/562929497.db2.gz BTLPOZXBXXBJBO-UHFFFAOYSA-N 0 0 445.497 1.859 50 0 IDAARN COc1ccc(NC(=O)CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1OC ZINC000002924806 562930521 /nfs/dbraw/zinc/93/05/21/562930521.db2.gz RFXRHPSIZLJDHV-UHFFFAOYSA-N 0 0 430.486 1.847 50 0 IDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3cccs3)C(=O)N21 ZINC000002967747 562931253 /nfs/dbraw/zinc/93/12/53/562931253.db2.gz RYVTVDIICGBXAC-AWEZNQCLSA-N 0 0 427.511 1.632 50 0 IDAARN CC[C@@H](Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)NC[C@H]1CCCO1 ZINC000003018539 562931655 /nfs/dbraw/zinc/93/16/55/562931655.db2.gz CCAAADZVMYHQNU-GHMZBOCLSA-N 0 0 440.547 1.433 50 0 IDAARN O=C(COC(=O)CNC(=O)c1cccc(OC(F)F)c1)NCc1ccc2c(c1)OCO2 ZINC000003244074 562933268 /nfs/dbraw/zinc/93/32/68/562933268.db2.gz LYKBPDLSPYTWSY-UHFFFAOYSA-N 0 0 436.367 1.606 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@@H](C)O[C@H](C)C1 ZINC000003295237 562933902 /nfs/dbraw/zinc/93/39/02/562933902.db2.gz RSCFGAWJUQOZQF-HUUCEWRRSA-N 0 0 441.575 1.140 50 0 IDAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000003307271 562933980 /nfs/dbraw/zinc/93/39/80/562933980.db2.gz AKVJXFBFKQGEDN-INIZCTEOSA-N 0 0 446.529 1.035 50 0 IDAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000003323404 562934218 /nfs/dbraw/zinc/93/42/18/562934218.db2.gz HAKNZSWFCODFKD-HNNXBMFYSA-N 0 0 426.491 1.324 50 0 IDAARN CCOc1ccccc1N1C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000003351334 562934703 /nfs/dbraw/zinc/93/47/03/562934703.db2.gz SDKBIXDITYJSKV-MRXNPFEDSA-N 0 0 431.514 1.445 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)c1 ZINC000003426589 562935609 /nfs/dbraw/zinc/93/56/09/562935609.db2.gz SBPGGGYORZSSBB-UHFFFAOYSA-N 0 0 436.515 1.847 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(-c4nnco4)cc3)CC2)cc1 ZINC000003428616 562935711 /nfs/dbraw/zinc/93/57/11/562935711.db2.gz BYHCVTQDCWMARG-UHFFFAOYSA-N 0 0 442.497 1.957 50 0 IDAARN O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NC1CC1 ZINC000003458636 562936169 /nfs/dbraw/zinc/93/61/69/562936169.db2.gz LZEQHGVXTWYQDH-UHFFFAOYSA-N 0 0 429.480 1.735 50 0 IDAARN COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)CNC(C)=O)cc1 ZINC000003614675 562936787 /nfs/dbraw/zinc/93/67/87/562936787.db2.gz ICPMSEZRJTYYRX-OAQYLSRUSA-N 0 0 427.457 1.741 50 0 IDAARN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000004079535 562941623 /nfs/dbraw/zinc/94/16/23/562941623.db2.gz PBTXRORYKHTWAA-UHFFFAOYSA-N 0 0 427.523 1.494 50 0 IDAARN NC(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccc(F)cc2)c1=O ZINC000004176394 562942525 /nfs/dbraw/zinc/94/25/25/562942525.db2.gz WAYUYNCPWFGORR-UHFFFAOYSA-N 0 0 446.504 1.726 50 0 IDAARN O=C(NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1 ZINC000004195789 562942625 /nfs/dbraw/zinc/94/26/25/562942625.db2.gz SOSMJMVDIWMCQH-UHFFFAOYSA-N 0 0 427.509 1.899 50 0 IDAARN CCOC(=O)[C@H](C)Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000006530208 562947117 /nfs/dbraw/zinc/94/71/17/562947117.db2.gz CVWIVUSLQXYIAI-NSHDSACASA-N 0 0 430.486 1.747 50 0 IDAARN COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000008598843 562954452 /nfs/dbraw/zinc/95/44/52/562954452.db2.gz ABPKVBWPJIFGCK-UHFFFAOYSA-N 0 0 431.514 1.955 50 0 IDAARN Cc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1 ZINC000008601597 562955497 /nfs/dbraw/zinc/95/54/97/562955497.db2.gz XRWXFCIMOIEUFP-GOSISDBHSA-N 0 0 443.525 1.551 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c(NCc3cccnc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000008602361 562955803 /nfs/dbraw/zinc/95/58/03/562955803.db2.gz 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CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000008611162 562958391 /nfs/dbraw/zinc/95/83/91/562958391.db2.gz SVPASRIZOXCWCG-UHFFFAOYSA-N 0 0 429.498 1.602 50 0 IDAARN COc1ccc(-n2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)n(C)c2=O)cc1 ZINC000008611035 562958403 /nfs/dbraw/zinc/95/84/03/562958403.db2.gz UXBIUUFLGPIAOB-UHFFFAOYSA-N 0 0 442.428 1.218 50 0 IDAARN CC(=O)NCCNC(=O)CCCc1nnc2n1c1ccsc1c(=O)n2CCC(C)C ZINC000008619023 562959796 /nfs/dbraw/zinc/95/97/96/562959796.db2.gz JLBTURCHZLFXPC-UHFFFAOYSA-N 0 0 432.550 1.727 50 0 IDAARN COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1 ZINC000008671769 562961002 /nfs/dbraw/zinc/96/10/02/562961002.db2.gz DYTIRQATFYGBIV-UHFFFAOYSA-N 0 0 433.486 1.848 50 0 IDAARN O=C(CSc1cccc[n+]1[O-])Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000008696088 562963741 /nfs/dbraw/zinc/96/37/41/562963741.db2.gz HQYMIFBVFKNNHB-UHFFFAOYSA-N 0 0 443.934 1.725 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000008801948 562964316 /nfs/dbraw/zinc/96/43/16/562964316.db2.gz PZKIZTGCZVAGTQ-UHFFFAOYSA-N 0 0 436.530 1.561 50 0 IDAARN CCCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)[C@H]1CCS(=O)(=O)C1 ZINC000008862330 562965487 /nfs/dbraw/zinc/96/54/87/562965487.db2.gz HUTDDEPKNBAZSV-ZDUSSCGKSA-N 0 0 439.515 1.983 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000008861039 562965507 /nfs/dbraw/zinc/96/55/07/562965507.db2.gz QMHXFFHQCFHHNJ-AVRDEDQJSA-N 0 0 441.509 1.674 50 0 IDAARN CCN1C(=O)[C@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2cccnc2)C1=S ZINC000008869333 562965546 /nfs/dbraw/zinc/96/55/46/562965546.db2.gz UUHWXGUGBSIGBW-KRWDZBQOSA-N 0 0 425.514 1.293 50 0 IDAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(O)CC2)s1 ZINC000008912349 562966008 /nfs/dbraw/zinc/96/60/08/562966008.db2.gz MOZUHHDNHDXTAF-UHFFFAOYSA-N 0 0 436.964 1.994 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009041324 562966668 /nfs/dbraw/zinc/96/66/68/562966668.db2.gz 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O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009497115 562972315 /nfs/dbraw/zinc/97/23/15/562972315.db2.gz BRRIWURRTNGJGA-UHFFFAOYSA-N 0 0 434.518 1.664 50 0 IDAARN CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c1=O ZINC000009506746 562972450 /nfs/dbraw/zinc/97/24/50/562972450.db2.gz UETIGNFBHOLLHK-UHFFFAOYSA-N 0 0 441.410 1.301 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)N3CCOCC3)nc(C3CCCCC3)nc2n(C)c1=O ZINC000009517456 562972723 /nfs/dbraw/zinc/97/27/23/562972723.db2.gz BGSGOXPVZSAPCN-UHFFFAOYSA-N 0 0 433.534 1.026 50 0 IDAARN Cc1nnc(NC(=O)CSc2nc(CC(C)C)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000009517422 562972725 /nfs/dbraw/zinc/97/27/25/562972725.db2.gz AIBHOTFOSGBKIB-UHFFFAOYSA-N 0 0 435.535 1.116 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000009562399 562973343 /nfs/dbraw/zinc/97/33/43/562973343.db2.gz URDAJAXXHHQVAT-UHFFFAOYSA-N 0 0 437.547 1.566 50 0 IDAARN O=C(NC(=S)N(CCO)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009579562 562973456 /nfs/dbraw/zinc/97/34/56/562973456.db2.gz BBOCOPWBAXTAAR-UHFFFAOYSA-N 0 0 447.582 1.980 50 0 IDAARN O=C(NCc1ccco1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009577959 562973471 /nfs/dbraw/zinc/97/34/71/562973471.db2.gz ZMZPVYOMVYVQPY-MRXNPFEDSA-N 0 0 441.893 1.103 50 0 IDAARN O=C(c1cc(S(=O)(=O)NCc2ccco2)ccc1Br)N1CCOCC1 ZINC000009590525 562973680 /nfs/dbraw/zinc/97/36/80/562973680.db2.gz QPHKIQJKMIGMRV-UHFFFAOYSA-N 0 0 429.292 1.993 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000009613298 562974217 /nfs/dbraw/zinc/97/42/17/562974217.db2.gz ZPKSHMQEZVEFDM-HNNXBMFYSA-N 0 0 431.518 1.056 50 0 IDAARN COCCCn1c(=O)[nH]nc1S[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000009636904 562974548 /nfs/dbraw/zinc/97/45/48/562974548.db2.gz JMFNVNGYDLAYOP-CQSZACIVSA-N 0 0 446.533 1.525 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)CC2)c1 ZINC000009646476 562974759 /nfs/dbraw/zinc/97/47/59/562974759.db2.gz LAJDVERKGCCXCZ-UHFFFAOYSA-N 0 0 426.498 1.687 50 0 IDAARN CCOc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1 ZINC000009677886 562975393 /nfs/dbraw/zinc/97/53/93/562975393.db2.gz ODOVYERIUQZOFP-UHFFFAOYSA-N 0 0 438.444 1.556 50 0 IDAARN Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)c1 ZINC000009683721 562975534 /nfs/dbraw/zinc/97/55/34/562975534.db2.gz WCHKXVZRKCWPFH-UHFFFAOYSA-N 0 0 446.525 1.987 50 0 IDAARN COc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc(OC)c1OC ZINC000009688697 562975598 /nfs/dbraw/zinc/97/55/98/562975598.db2.gz NOKNUGQIVPPKEZ-UHFFFAOYSA-N 0 0 438.506 1.722 50 0 IDAARN Cn1c2cc(NS(=O)(=O)c3ccc(F)cc3)c(N3CCCC3)cc2n(C)c(=O)c1=O ZINC000009686037 562975601 /nfs/dbraw/zinc/97/56/01/562975601.db2.gz CCFPSVXDHAEBNB-UHFFFAOYSA-N 0 0 432.477 1.777 50 0 IDAARN Cc1cccc(OCc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)o2)c1 ZINC000009714114 562975806 /nfs/dbraw/zinc/97/58/06/562975806.db2.gz UGYJNZPKDVZITG-UHFFFAOYSA-N 0 0 429.458 1.699 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccn1 ZINC000009715251 562975899 /nfs/dbraw/zinc/97/58/99/562975899.db2.gz PRRRAJGSDNZYQI-SFHVURJKSA-N 0 0 430.530 1.448 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2ccncc2)cc1 ZINC000009715279 562976005 /nfs/dbraw/zinc/97/60/05/562976005.db2.gz WOAITJKYWZUANR-IBGZPJMESA-N 0 0 444.557 1.756 50 0 IDAARN COc1cccc(-c2nnn(CC(=O)N([C@H]3CCS(=O)(=O)C3)C3CCCCC3)n2)c1 ZINC000009723283 562976015 /nfs/dbraw/zinc/97/60/15/562976015.db2.gz UOVYFOOLHSRSIH-KRWDZBQOSA-N 0 0 433.534 1.697 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(F)c2)cc1 ZINC000009806721 562977062 /nfs/dbraw/zinc/97/70/62/562977062.db2.gz IBMPXSKERNJJQH-INIZCTEOSA-N 0 0 435.477 1.742 50 0 IDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000009807060 562977095 /nfs/dbraw/zinc/97/70/95/562977095.db2.gz PDYGSVHXUSOBKE-CQSZACIVSA-N 0 0 441.962 1.987 50 0 IDAARN COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)ccc1OC ZINC000009812442 562977149 /nfs/dbraw/zinc/97/71/49/562977149.db2.gz DTHMJNZQIPHGPQ-OAHLLOKOSA-N 0 0 440.452 1.922 50 0 IDAARN CCCCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000009818576 562977234 /nfs/dbraw/zinc/97/72/34/562977234.db2.gz XAJVCIBFRLVNQI-UHFFFAOYSA-N 0 0 440.547 1.766 50 0 IDAARN Cn1c(N)c(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(=O)n(C)c1=O ZINC000009821652 562977287 /nfs/dbraw/zinc/97/72/87/562977287.db2.gz ZMXJGRSNSSVZGO-UHFFFAOYSA-N 0 0 432.531 1.220 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)cc2oc1=O ZINC000009856407 562977437 /nfs/dbraw/zinc/97/74/37/562977437.db2.gz KAASIJTZFOHVLV-UHFFFAOYSA-N 0 0 443.525 1.891 50 0 IDAARN CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009882637 562977720 /nfs/dbraw/zinc/97/77/20/562977720.db2.gz HDMBOJOQBWWULA-KRWDZBQOSA-N 0 0 444.575 1.137 50 0 IDAARN COc1ccc(CCNS(=O)(=O)CCNC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000010188101 562978568 /nfs/dbraw/zinc/97/85/68/562978568.db2.gz JWFPHHBYGNCYTL-UHFFFAOYSA-N 0 0 436.486 1.324 50 0 IDAARN COc1ccc(C(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c(OC)c1 ZINC000013002656 562983882 /nfs/dbraw/zinc/98/38/82/562983882.db2.gz TVCSYZUEWFJETR-UHFFFAOYSA-N 0 0 446.481 1.949 50 0 IDAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000013005980 562983940 /nfs/dbraw/zinc/98/39/40/562983940.db2.gz ZEQKHXOJEOQZCB-UHFFFAOYSA-N 0 0 425.397 1.974 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000013009326 562984058 /nfs/dbraw/zinc/98/40/58/562984058.db2.gz LYQOFQMLIWJGIF-LJQANCHMSA-N 0 0 433.505 1.999 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000013131121 562984927 /nfs/dbraw/zinc/98/49/27/562984927.db2.gz GIFXKCJCWIXRPQ-OKILXGFUSA-N 0 0 431.924 1.745 50 0 IDAARN COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000015936359 563018786 /nfs/dbraw/zinc/01/87/86/563018786.db2.gz YYILAEOMXYKIPT-HNNXBMFYSA-N 0 0 445.541 1.978 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn32)c1 ZINC000015943328 563019963 /nfs/dbraw/zinc/01/99/63/563019963.db2.gz WQLZLFQOZRGARF-UHFFFAOYSA-N 0 0 437.504 1.624 50 0 IDAARN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000015943985 563020154 /nfs/dbraw/zinc/02/01/54/563020154.db2.gz FFGMKCRDRBRSQX-PBHICJAKSA-N 0 0 431.514 1.936 50 0 IDAARN C[C@H](O)CN1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000028630290 563059777 /nfs/dbraw/zinc/05/97/77/563059777.db2.gz DGQRZLKOGKIMFI-SFHVURJKSA-N 0 0 436.512 1.007 50 0 IDAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC[C@H]1CCCO1 ZINC000056945817 563142908 /nfs/dbraw/zinc/14/29/08/563142908.db2.gz LJDJQLAOZDDMDU-YLJYHZDGSA-N 0 0 444.507 1.693 50 0 IDAARN COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000089895832 563180525 /nfs/dbraw/zinc/18/05/25/563180525.db2.gz ZISFLZRDOQMDKV-LURJTMIESA-N 0 0 441.687 1.967 50 0 IDAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1OC ZINC000012029798 568625082 /nfs/dbraw/zinc/62/50/82/568625082.db2.gz XZAVVBKEMGITBM-MRXNPFEDSA-N 0 0 439.511 1.917 50 0 IDAARN COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000012029857 568625237 /nfs/dbraw/zinc/62/52/37/568625237.db2.gz SJPHKYQZJQFJSR-QGZVFWFLSA-N 0 0 437.495 1.686 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000585149307 568627256 /nfs/dbraw/zinc/62/72/56/568627256.db2.gz IIRPYPXOKADFJO-UHFFFAOYSA-N 0 0 430.408 1.778 50 0 IDAARN CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000025148338 568641469 /nfs/dbraw/zinc/64/14/69/568641469.db2.gz NTONMNRMBMWHAS-UHFFFAOYSA-N 0 0 437.543 1.412 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4ccccc43)CC2)c1 ZINC000015091783 568644386 /nfs/dbraw/zinc/64/43/86/568644386.db2.gz LHQVCTJJTCTUJS-UHFFFAOYSA-N 0 0 430.486 1.727 50 0 IDAARN O=C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000001088442 568658349 /nfs/dbraw/zinc/65/83/49/568658349.db2.gz FYCUCUDXCHKGHM-MSOLQXFVSA-N 0 0 442.559 1.230 50 0 IDAARN O=C(OC[C@@H]1O[C@@H]2[C@@H](Oc3nc(=O)ccn32)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000202172984 568737964 /nfs/dbraw/zinc/73/79/64/568737964.db2.gz WLLCZAIADALVGH-OJAHFUOMSA-N 0 0 434.404 1.984 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccccc1F ZINC000001868194 568742002 /nfs/dbraw/zinc/74/20/02/568742002.db2.gz IQLSZVMLAQTHNX-LJQANCHMSA-N 0 0 448.332 1.805 50 0 IDAARN O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000043943432 568744014 /nfs/dbraw/zinc/74/40/14/568744014.db2.gz CMWJVZYFEFDFBH-UHFFFAOYSA-N 0 0 433.452 1.964 50 0 IDAARN NC(=O)c1c2c(sc1NC(=O)CN1C(=O)N[C@]3(CCOc4ccccc43)C1=O)CCC2 ZINC000003343180 568746728 /nfs/dbraw/zinc/74/67/28/568746728.db2.gz GGPZDZWOVMKBGO-NRFANRHFSA-N 0 0 440.481 1.504 50 0 IDAARN Cc1cc(=NC(=O)COc2ccc(OC(F)(F)F)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334157954 568750924 /nfs/dbraw/zinc/75/09/24/568750924.db2.gz AQDYWYFUCXLBRT-GFCCVEGCSA-N 0 0 433.408 1.889 50 0 IDAARN CC(C)CN(C(=O)CN1C[C@H](C)O[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015350068 568758489 /nfs/dbraw/zinc/75/84/89/568758489.db2.gz IBBJBLZPEMJOFZ-IRXDYDNUSA-N 0 0 443.548 1.265 50 0 IDAARN Cc1c(C)[n+]([O-])c([C@@H](c2ccc3c(c2)n(C)c(=O)n3C)C2C(=O)OC(C)(C)OC2=O)n1C ZINC000263587481 568760637 /nfs/dbraw/zinc/76/06/37/568760637.db2.gz HKKXGHSEBVZWTG-INIZCTEOSA-N 0 0 442.472 1.050 50 0 IDAARN COC(=O)c1cn(C2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc2c(=O)[nH]nc1-2 ZINC000263588810 568761130 /nfs/dbraw/zinc/76/11/30/568761130.db2.gz YPWSGBHZBBQOIS-UHFFFAOYSA-N 0 0 434.456 1.949 50 0 IDAARN COCCNC(=O)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2F)C3)CC1 ZINC000263617030 568777051 /nfs/dbraw/zinc/77/70/51/568777051.db2.gz LTDVHHZFROIBAQ-FQEVSTJZSA-N 0 0 432.500 1.599 50 0 IDAARN NS(=O)(=O)c1ccc(CCN[C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263617518 568777263 /nfs/dbraw/zinc/77/72/63/568777263.db2.gz OEDCDBRDPDDVKH-IBGZPJMESA-N 0 0 429.477 1.411 50 0 IDAARN O=C(c1ccccc1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000001325291 568779696 /nfs/dbraw/zinc/77/96/96/568779696.db2.gz VIQPBNMLGZJLIG-UHFFFAOYSA-N 0 0 443.525 1.306 50 0 IDAARN CCc1c(C)sc2c1c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)N1CCOCC1 ZINC000032103355 568780810 /nfs/dbraw/zinc/78/08/10/568780810.db2.gz ZHFOEOOOVVUKME-UHFFFAOYSA-N 0 0 438.513 1.897 50 0 IDAARN CN(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000223157047 568781943 /nfs/dbraw/zinc/78/19/43/568781943.db2.gz QLZGDXAWTRKJFP-UXHICEINSA-N 0 0 431.514 1.615 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC(=O)Nc2ccccc2)C1=O ZINC000045913552 568783368 /nfs/dbraw/zinc/78/33/68/568783368.db2.gz PAPBJNPLDUXTTD-UHFFFAOYSA-N 0 0 443.525 1.970 50 0 IDAARN COc1ccc(COC(=O)c2cccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000083947373 568786251 /nfs/dbraw/zinc/78/62/51/568786251.db2.gz CBNPMLAVQJIFJW-INIZCTEOSA-N 0 0 439.511 1.518 50 0 IDAARN COc1ccc(OC(=O)c2cccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000083950017 568786761 /nfs/dbraw/zinc/78/67/61/568786761.db2.gz NOYZDETXTNJBML-AWEZNQCLSA-N 0 0 425.484 1.380 50 0 IDAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1)CC2 ZINC000084286941 568796699 /nfs/dbraw/zinc/79/66/99/568796699.db2.gz ZPFPBGQXNMGQOF-PBHICJAKSA-N 0 0 439.482 1.674 50 0 IDAARN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCO1 ZINC000084636634 568799429 /nfs/dbraw/zinc/79/94/29/568799429.db2.gz RFFVCYOTQMSWQN-JCGIZDLHSA-N 0 0 445.520 1.247 50 0 IDAARN CCN(CCO)C(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(C)C ZINC000084774006 568801353 /nfs/dbraw/zinc/80/13/53/568801353.db2.gz DJDYJAKKBFJVAM-GOSISDBHSA-N 0 0 427.567 1.312 50 0 IDAARN CCCS(=O)(=O)N1CCN(Cc2noc(CCC(=O)N3CCCCCC3)n2)CC1 ZINC000015721976 568811852 /nfs/dbraw/zinc/81/18/52/568811852.db2.gz JDWXMPHCPMJDGT-UHFFFAOYSA-N 0 0 427.571 1.262 50 0 IDAARN CCCCc1nn2c(nc(COC(=O)CN3C(=O)c4ccccc4C3=O)cc2=O)s1 ZINC000015734095 568815674 /nfs/dbraw/zinc/81/56/74/568815674.db2.gz GWHJRKSODIOVLB-UHFFFAOYSA-N 0 0 426.454 1.833 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000015734345 568816214 /nfs/dbraw/zinc/81/62/14/568816214.db2.gz ZKIPUMAHVJQCBM-UHFFFAOYSA-N 0 0 444.513 1.647 50 0 IDAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCCN4CCOCC4)C3)ccc21 ZINC000015784387 568827451 /nfs/dbraw/zinc/82/74/51/568827451.db2.gz ZBCIJOYWSRWIQT-IBGZPJMESA-N 0 0 448.589 1.418 50 0 IDAARN CCN1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000015785269 568829601 /nfs/dbraw/zinc/82/96/01/568829601.db2.gz OLVARUOWKBAVOM-IBGZPJMESA-N 0 0 434.562 1.385 50 0 IDAARN CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1c[nH]c(C(=O)N2CCCCC2)c1 ZINC000085650850 568830913 /nfs/dbraw/zinc/83/09/13/568830913.db2.gz GWCJNNOMEQCKIO-UHFFFAOYSA-N 0 0 430.530 1.851 50 0 IDAARN O=C(Nc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000085650922 568831105 /nfs/dbraw/zinc/83/11/05/568831105.db2.gz UIFNVALBHRBCDR-HNNXBMFYSA-N 0 0 431.518 1.685 50 0 IDAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCCCC3)ccc21)N1CCOCC1 ZINC000085651740 568831517 /nfs/dbraw/zinc/83/15/17/568831517.db2.gz BSBJOOZYWRSCTI-UHFFFAOYSA-N 0 0 439.559 1.487 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000085681842 568834014 /nfs/dbraw/zinc/83/40/14/568834014.db2.gz UFDZWOUNBBJGOA-INIZCTEOSA-N 0 0 444.561 1.847 50 0 IDAARN COC(=O)CNC(=O)c1cn(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc12 ZINC000085879082 568839007 /nfs/dbraw/zinc/83/90/07/568839007.db2.gz ZQWDGKCRBBSXOK-UHFFFAOYSA-N 0 0 426.425 1.919 50 0 biogenic IDAARN CN1C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2C1=O ZINC000001516378 568839591 /nfs/dbraw/zinc/83/95/91/568839591.db2.gz KUCZIFYOBODDOY-UHFFFAOYSA-N 0 0 429.454 1.186 50 0 IDAARN CCS(=O)(=O)Nc1ccc2c(c1)c(C(=O)OCCOC)c(C)n2S(=O)(=O)CC ZINC000006142902 568845584 /nfs/dbraw/zinc/84/55/84/568845584.db2.gz HCIKMIGRFZISMW-UHFFFAOYSA-N 0 0 432.520 1.712 50 0 IDAARN Cc1ccc2nc(C)c(Cc3nnc(SCC(=O)NC[C@H]4CCCO4)n3C)c(=O)n2c1 ZINC000015859198 568846948 /nfs/dbraw/zinc/84/69/48/568846948.db2.gz IAHPPZBPFDHCLH-OAHLLOKOSA-N 0 0 442.545 1.418 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)NC(N)=O)n2CC ZINC000006153635 568847361 /nfs/dbraw/zinc/84/73/61/568847361.db2.gz NTHGSGWJOLZTJE-NSHDSACASA-N 0 0 427.552 1.762 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NC(=O)NC)n2CC ZINC000006153629 568847389 /nfs/dbraw/zinc/84/73/89/568847389.db2.gz JHROCGIODHNDTJ-UHFFFAOYSA-N 0 0 427.552 1.634 50 0 IDAARN C[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 ZINC000015863961 568849547 /nfs/dbraw/zinc/84/95/47/568849547.db2.gz SCRLGJLLZWFLPW-CYBMUJFWSA-N 0 0 432.458 1.842 50 0 IDAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCCO3)c(=O)n2C ZINC000015880396 568853931 /nfs/dbraw/zinc/85/39/31/568853931.db2.gz OLJPQNJTGMAAKS-UHFFFAOYSA-N 0 0 426.429 1.212 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000015881656 568855861 /nfs/dbraw/zinc/85/58/61/568855861.db2.gz ZANRYVXHDLUENR-UHFFFAOYSA-N 0 0 435.521 1.636 50 0 IDAARN COc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000015881633 568855903 /nfs/dbraw/zinc/85/59/03/568855903.db2.gz WWCUWBZADOWVQC-UHFFFAOYSA-N 0 0 447.557 1.749 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1 ZINC000015882310 568856308 /nfs/dbraw/zinc/85/63/08/568856308.db2.gz QPUVWTULELDSIC-UHFFFAOYSA-N 0 0 430.534 1.546 50 0 IDAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccc(F)cc1 ZINC000015883787 568857904 /nfs/dbraw/zinc/85/79/04/568857904.db2.gz KYYOZDAEAQWSBF-UHFFFAOYSA-N 0 0 432.477 1.326 50 0 IDAARN COc1cn(CC(=O)N2CCCc3ccccc32)c(CSc2nnnn2C)cc1=O ZINC000015883865 568858140 /nfs/dbraw/zinc/85/81/40/568858140.db2.gz BACQVOMSWKYNCL-UHFFFAOYSA-N 0 0 426.502 1.652 50 0 IDAARN CS(=O)(=O)c1ccc2c(c1)SC(NC(=O)CCN1C(=O)c3ccccc3C1=O)N2 ZINC000103112786 568859408 /nfs/dbraw/zinc/85/94/08/568859408.db2.gz DWPZJNGDWMSABQ-UHFFFAOYSA-N 0 0 430.487 1.857 50 0 IDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@H](CCC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959800 568860481 /nfs/dbraw/zinc/86/04/81/568860481.db2.gz ZELGVVJNMXXSOY-MASGSYHESA-N 0 0 446.507 1.224 50 0 biogenic IDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969312 568861543 /nfs/dbraw/zinc/86/15/43/568861543.db2.gz SEVGYGLCWSWWEZ-UJAPCULTSA-N 0 0 446.507 1.142 50 0 biogenic IDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000016026189 568864506 /nfs/dbraw/zinc/86/45/06/568864506.db2.gz NOQMWPSDBROJAC-DOGKRZLPSA-N 0 0 432.480 1.099 50 0 biogenic IDAARN O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F ZINC000006181017 568867791 /nfs/dbraw/zinc/86/77/91/568867791.db2.gz PIKOIBNFSDVQGE-UHFFFAOYSA-N 0 0 435.477 1.678 50 0 IDAARN C[C@H](C(=O)N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012939831 568868912 /nfs/dbraw/zinc/86/89/12/568868912.db2.gz KHDHCSLPVWEPNT-CYBMUJFWSA-N 0 0 436.361 1.547 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1 ZINC000012944841 568870622 /nfs/dbraw/zinc/87/06/22/568870622.db2.gz CZRSUCHHKWFYOP-UHFFFAOYSA-N 0 0 429.502 1.138 50 0 IDAARN COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c1 ZINC000012951018 568872137 /nfs/dbraw/zinc/87/21/37/568872137.db2.gz GFFVTXAXCLOIQX-UHFFFAOYSA-N 0 0 434.514 1.997 50 0 IDAARN COc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1C ZINC000575608328 568878468 /nfs/dbraw/zinc/87/84/68/568878468.db2.gz SJABFUIGZBIDCD-UHFFFAOYSA-N 0 0 448.549 1.104 50 0 IDAARN Cn1c(=O)n(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1C(F)(F)F ZINC000575614875 568881160 /nfs/dbraw/zinc/88/11/60/568881160.db2.gz BFSJOPZTPZAREQ-UHFFFAOYSA-N 0 0 448.423 1.398 50 0 IDAARN Cn1c(=O)n(C2CCN(S(=O)(=O)c3ccc4oc(=O)[nH]c4c3)CC2)nc1C(F)(F)F ZINC000575615811 568881298 /nfs/dbraw/zinc/88/12/98/568881298.db2.gz JVBFSMDBGMOUAY-UHFFFAOYSA-N 0 0 447.395 1.473 50 0 IDAARN Cc1nc(-c2ccc(S(=O)(=O)NC3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)co1 ZINC000575617769 568881841 /nfs/dbraw/zinc/88/18/41/568881841.db2.gz WSKJSAFJZDCDMC-KRWDZBQOSA-N 0 0 439.559 1.580 50 0 IDAARN C[C@H]1C[C@H](C)CN(C(=O)c2cnc3ccc(S(=O)(=O)N4CCOCC4)cc3c2O)C1 ZINC000006296585 568882210 /nfs/dbraw/zinc/88/22/10/568882210.db2.gz AQNRNGKFUIFONJ-GJZGRUSLSA-N 0 0 433.530 1.667 50 0 IDAARN O=C(NCc1ccc(F)cc1)c1cnc2ccc(S(=O)(=O)N3CCOCC3)cc2c1O ZINC000006296582 568882325 /nfs/dbraw/zinc/88/23/25/568882325.db2.gz JPSHGQGOQBIANW-UHFFFAOYSA-N 0 0 445.472 1.618 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cn1C ZINC000035478344 568882731 /nfs/dbraw/zinc/88/27/31/568882731.db2.gz SMKQGGMVGPQPGE-HNNXBMFYSA-N 0 0 449.485 1.375 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000012972999 568889245 /nfs/dbraw/zinc/88/92/45/568889245.db2.gz HGBQMYPTDYXINH-UWJYYQICSA-N 0 0 433.530 1.108 50 0 IDAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012972645 568889294 /nfs/dbraw/zinc/88/92/94/568889294.db2.gz NGTHHCFLNWMWRY-KGLIPLIRSA-N 0 0 445.497 1.756 50 0 IDAARN O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012977488 568891147 /nfs/dbraw/zinc/89/11/47/568891147.db2.gz FOYLJVDNGAXTPQ-QGZVFWFLSA-N 0 0 435.452 1.924 50 0 IDAARN Cc1cnc2n(c1=O)C[C@H](C(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)CS2 ZINC000090609578 568891292 /nfs/dbraw/zinc/89/12/92/568891292.db2.gz BSPFGOFQAQOPEQ-JTQLQIEISA-N 0 0 436.540 1.926 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)CC1 ZINC000090610120 568891843 /nfs/dbraw/zinc/89/18/43/568891843.db2.gz BHHNNFDYPLDMIA-UHFFFAOYSA-N 0 0 428.489 1.353 50 0 IDAARN O=C(CNC(=O)Cn1c(=O)[nH]c2ccsc2c1=O)NCc1ccccc1C(F)(F)F ZINC000090610298 568892294 /nfs/dbraw/zinc/89/22/94/568892294.db2.gz ICADCOVXUDVYDQ-UHFFFAOYSA-N 0 0 440.403 1.203 50 0 IDAARN C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012984081 568895423 /nfs/dbraw/zinc/89/54/23/568895423.db2.gz FYOUJMWWDWDTSH-STQMWFEESA-N 0 0 449.460 1.396 50 0 IDAARN CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013015505 568901602 /nfs/dbraw/zinc/90/16/02/568901602.db2.gz WSGGYWBLMCJRIY-QGZVFWFLSA-N 0 0 434.539 1.697 50 0 IDAARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 ZINC000253405876 568903089 /nfs/dbraw/zinc/90/30/89/568903089.db2.gz INSQRGXVHOWCFX-IRXDYDNUSA-N 0 0 425.441 1.856 50 0 IDAARN COc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)cc1=O ZINC000253402945 568903154 /nfs/dbraw/zinc/90/31/54/568903154.db2.gz GUONJZGNEOJYOK-UHFFFAOYSA-N 0 0 439.921 1.352 50 0 IDAARN CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3NC=C[C@]3(O)C(F)(F)F)C2)c(C)n1 ZINC000239426012 568911551 /nfs/dbraw/zinc/91/15/51/568911551.db2.gz VPJSUTRZBAGHIW-WFASDCNBSA-N 0 0 437.444 1.081 50 0 IDAARN O=C1[C@H]2[C@H]3[C@@H]([C@@H]2C(=O)N1Cc1ccco1)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(Cc3ccco3)C(=O)[C@H]21 ZINC000239432873 568911576 /nfs/dbraw/zinc/91/15/76/568911576.db2.gz WSVQHUCRCMDNNU-CGPUTVHZSA-N 0 0 432.432 1.837 50 0 IDAARN CCN(CCC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000239762095 568911679 /nfs/dbraw/zinc/91/16/79/568911679.db2.gz CKUJFLKQVIRCOB-AEFFLSMTSA-N 0 0 443.548 1.608 50 0 IDAARN CCN(CCC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000239762098 568911686 /nfs/dbraw/zinc/91/16/86/568911686.db2.gz CKUJFLKQVIRCOB-WMZOPIPTSA-N 0 0 443.548 1.608 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)C1 ZINC000242273459 568912499 /nfs/dbraw/zinc/91/24/99/568912499.db2.gz YCWMXDIQBLHMGS-BRSBDYLESA-N 0 0 436.644 1.049 50 0 IDAARN COC(=O)[C@H](C)O[C@@H]1[C@H](NC(C)=O)[C@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]21 ZINC000245225778 568912920 /nfs/dbraw/zinc/91/29/20/568912920.db2.gz OEKDBUGAXUPTRV-YLENCYBYSA-N 0 0 437.489 1.531 50 0 IDAARN COC(=O)[C@H](C)O[C@H]1[C@H]2OC(C)(C)OC[C@H]2O[C@@H](OCc2ccccc2)[C@H]1NC(C)=O ZINC000245225777 568912925 /nfs/dbraw/zinc/91/29/25/568912925.db2.gz OEKDBUGAXUPTRV-KWAWNMADSA-N 0 0 437.489 1.531 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC000244852631 568912940 /nfs/dbraw/zinc/91/29/40/568912940.db2.gz UVZSKYMVEDYOFL-JYJNAYRXSA-N 0 0 439.534 1.901 50 0 IDAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 ZINC000245256870 568914098 /nfs/dbraw/zinc/91/40/98/568914098.db2.gz UJZNHPROQLJDSV-BRWVUGGUSA-N 0 0 426.560 1.507 50 0 IDAARN CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000001847787 568916475 /nfs/dbraw/zinc/91/64/75/568916475.db2.gz MWTKHYIBRBUQHF-LJQANCHMSA-N 0 0 438.406 1.795 50 0 IDAARN CC(=O)N[C@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000026841586 568917993 /nfs/dbraw/zinc/91/79/93/568917993.db2.gz NWNJMUITOYPCJP-MISXGVKJSA-N 0 0 437.780 1.974 50 0 biogenic IDAARN CC(=O)c1ccc(N2CCN(CC(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000089292068 568920051 /nfs/dbraw/zinc/92/00/51/568920051.db2.gz BECXRYYXFXIRKN-SFHVURJKSA-N 0 0 437.537 1.328 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)cc1 ZINC000026940224 568927726 /nfs/dbraw/zinc/92/77/26/568927726.db2.gz IIKIKWSBRWQFSU-UHFFFAOYSA-N 0 0 431.514 1.997 50 0 IDAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NCc4ccccn4)cc32)no1 ZINC000064450629 568928560 /nfs/dbraw/zinc/92/85/60/568928560.db2.gz UBSXYTNYDBYOME-UHFFFAOYSA-N 0 0 429.458 1.431 50 0 IDAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CCC2 ZINC000006529628 568929593 /nfs/dbraw/zinc/92/95/93/568929593.db2.gz NGSFGYGMGRLFQO-UHFFFAOYSA-N 0 0 449.554 1.870 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1C ZINC000006558769 568931368 /nfs/dbraw/zinc/93/13/68/568931368.db2.gz NLRYFBKPJLTUIM-UHFFFAOYSA-N 0 0 425.507 1.283 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)cc(C)c1C ZINC000089585672 568938733 /nfs/dbraw/zinc/93/87/33/568938733.db2.gz HRVMITDBZDDDQS-HOTGVXAUSA-N 0 0 441.550 1.576 50 0 IDAARN COC(=O)Cn1ccnc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000089587471 568938761 /nfs/dbraw/zinc/93/87/61/568938761.db2.gz ZEVSHAVSQJOXLH-ZDUSSCGKSA-N 0 0 449.305 1.796 50 0 IDAARN COCCNC(=O)c1coc(CN(CCN2CCOCC2)Cc2ccc3c(c2)OCO3)n1 ZINC000036073633 568946448 /nfs/dbraw/zinc/94/64/48/568946448.db2.gz UOSKMULFXOJQIF-UHFFFAOYSA-N 0 0 446.504 1.114 50 0 IDAARN COc1ccc(OCCN2CC(=O)N(c3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000036080503 568946609 /nfs/dbraw/zinc/94/66/09/568946609.db2.gz PNMQIKOEYLXTEV-LEWJYISDSA-N 0 0 430.526 1.897 50 0 IDAARN COc1ccc(OCCN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000036081891 568946852 /nfs/dbraw/zinc/94/68/52/568946852.db2.gz MSRXSRSKVDILFW-LEWJYISDSA-N 0 0 446.525 1.597 50 0 IDAARN C[C@@H](c1ccccc1)n1c(=O)c(C(=O)N2CCN(C)CC2)nn(-c2ccccc2F)c1=O ZINC000036085411 568947870 /nfs/dbraw/zinc/94/78/70/568947870.db2.gz KVBVHSGFCIQSGM-INIZCTEOSA-N 0 0 437.475 1.530 50 0 IDAARN COCCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036085286 568947962 /nfs/dbraw/zinc/94/79/62/568947962.db2.gz IMCYEVIDMRIRAA-UHFFFAOYSA-N 0 0 432.839 1.611 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036085534 568948037 /nfs/dbraw/zinc/94/80/37/568948037.db2.gz KWEQDWJWGYDAEC-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN CC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)c(=O)n(Cc3cccc(C)c3)c2=O)CC1 ZINC000036086029 568948401 /nfs/dbraw/zinc/94/84/01/568948401.db2.gz XIOVKHFFHXLMAF-UHFFFAOYSA-N 0 0 447.495 1.055 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086356 568948675 /nfs/dbraw/zinc/94/86/75/568948675.db2.gz DDLDSRYUGSKFHH-UHFFFAOYSA-N 0 0 434.496 1.840 50 0 IDAARN COCCNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036087436 568948747 /nfs/dbraw/zinc/94/87/47/568948747.db2.gz BXHFNWJMKOQUJX-UHFFFAOYSA-N 0 0 428.876 1.781 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3cccc(Cl)c3)c2=O)cc1 ZINC000036087424 568948773 /nfs/dbraw/zinc/94/87/73/568948773.db2.gz QOMZBLMLSACBLV-UHFFFAOYSA-N 0 0 440.887 1.877 50 0 IDAARN Cc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000036086838 568949259 /nfs/dbraw/zinc/94/92/59/568949259.db2.gz PXCSHDCBJCUVON-LJQANCHMSA-N 0 0 438.459 1.799 50 0 IDAARN CCCn1c(=O)c(C(=O)N2CCC[C@@H](C(=O)OCC)C2)nn(-c2cccc(C)c2)c1=O ZINC000036087131 568949303 /nfs/dbraw/zinc/94/93/03/568949303.db2.gz RWMZXBOHGGBFJY-MRXNPFEDSA-N 0 0 428.489 1.528 50 0 IDAARN COCCNC(=O)c1nn(-c2cccc(OC)c2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036087737 568949694 /nfs/dbraw/zinc/94/96/94/568949694.db2.gz AZILLTQBZPFJSE-UHFFFAOYSA-N 0 0 444.875 1.481 50 0 IDAARN COc1cccc(-n2nc(C(=O)NC3CC3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087747 568949802 /nfs/dbraw/zinc/94/98/02/568949802.db2.gz GMJWILBDFQSVKY-UHFFFAOYSA-N 0 0 426.860 1.997 50 0 IDAARN COCCCNC(=O)c1nn(-c2cccc(F)c2)c(=O)n(Cc2ccccc2C)c1=O ZINC000036088578 568949926 /nfs/dbraw/zinc/94/99/26/568949926.db2.gz AICFUYGXOGEKFG-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036088896 568950013 /nfs/dbraw/zinc/95/00/13/568950013.db2.gz XMZBPOMOKFVHTA-UHFFFAOYSA-N 0 0 446.866 1.920 50 0 IDAARN COCCNC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036093973 568950803 /nfs/dbraw/zinc/95/08/03/568950803.db2.gz ZYXDTEKCNUFFTQ-UHFFFAOYSA-N 0 0 426.448 1.575 50 0 IDAARN Cc1cc(C)cc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093958 568950862 /nfs/dbraw/zinc/95/08/62/568950862.db2.gz FFAGJIVOFTULES-FQEVSTJZSA-N 0 0 434.496 1.968 50 0 IDAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)c1ccc(N(C)C)cc1 ZINC000064755594 568951229 /nfs/dbraw/zinc/95/12/29/568951229.db2.gz HGJCYGWXXRYYAH-UHFFFAOYSA-N 0 0 430.534 1.614 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cn1C ZINC000064818974 568965561 /nfs/dbraw/zinc/96/55/61/568965561.db2.gz QQRDVSNBUYZIAT-QGZVFWFLSA-N 0 0 448.501 1.562 50 0 IDAARN CCOc1cc(CNC(=O)c2cc(=O)nc3sc(N4CCOCC4)nn32)ccc1OC ZINC000064836526 568969431 /nfs/dbraw/zinc/96/94/31/568969431.db2.gz JPSUUYOJQSNGLN-UHFFFAOYSA-N 0 0 445.501 1.325 50 0 IDAARN CCOC(=O)c1sc2[nH]c(CN(CCCOC)C[C@@H](O)COC)nc(=O)c2c1C ZINC000036207261 568973218 /nfs/dbraw/zinc/97/32/18/568973218.db2.gz HILJBBAEYGJPOB-CYBMUJFWSA-N 0 0 427.523 1.316 50 0 IDAARN CC[C@@H](C)N1Cc2c(n(CC(=O)N3CCOCC3)c3cc(C(C)(C)C)nn3c2=O)C1=O ZINC000006754370 568974425 /nfs/dbraw/zinc/97/44/25/568974425.db2.gz QGXAXIAAWCDBAF-CQSZACIVSA-N 0 0 429.521 1.407 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)CC(C)C)CC1 ZINC000036211001 568976974 /nfs/dbraw/zinc/97/69/74/568976974.db2.gz STAGPRRYKNPOEF-OAQYLSRUSA-N 0 0 433.549 1.841 50 0 IDAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccccc2F)C(=O)NCCCOC)CC1 ZINC000036214407 568977239 /nfs/dbraw/zinc/97/72/39/568977239.db2.gz UIOOQLHEIFZMHN-GOSISDBHSA-N 0 0 438.569 1.683 50 0 IDAARN CC(C)NC(=O)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCC2)CC1 ZINC000036214384 568977244 /nfs/dbraw/zinc/97/72/44/568977244.db2.gz IDMQQLOTGZGGPG-FQEVSTJZSA-N 0 0 444.532 1.966 50 0 IDAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)NCCOC)CC1 ZINC000036214439 568977262 /nfs/dbraw/zinc/97/72/62/568977262.db2.gz FMTFXPMXADVSSF-KRWDZBQOSA-N 0 0 440.997 1.807 50 0 IDAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCC2)CC1 ZINC000036214576 568977418 /nfs/dbraw/zinc/97/74/18/568977418.db2.gz FOTZATHOJLFFOE-IBGZPJMESA-N 0 0 446.573 1.743 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036227545 568978559 /nfs/dbraw/zinc/97/85/59/568978559.db2.gz JNWFFNDKDZNXTF-UHFFFAOYSA-N 0 0 434.493 1.729 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2c3nccnc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000064874298 568978619 /nfs/dbraw/zinc/97/86/19/568978619.db2.gz DIIAFYULGHKDKB-UHFFFAOYSA-N 0 0 445.435 1.427 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21)Nc1ccc2c(c1)OCCO2 ZINC000064874304 568978654 /nfs/dbraw/zinc/97/86/54/568978654.db2.gz YXZOZCRLRYSKDT-UHFFFAOYSA-N 0 0 445.435 1.411 50 0 IDAARN COc1cccc(NC(=O)Cn2c3nccnc3c(=O)n(CCc3ccccc3)c2=O)c1 ZINC000064887702 568979167 /nfs/dbraw/zinc/97/91/67/568979167.db2.gz YFUDDEJHHZUHGW-UHFFFAOYSA-N 0 0 431.452 1.843 50 0 IDAARN COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3cccc(OC)c3)c2=O)c1 ZINC000064887667 568979193 /nfs/dbraw/zinc/97/91/93/568979193.db2.gz 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Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1 ZINC000064890007 568980806 /nfs/dbraw/zinc/98/08/06/568980806.db2.gz WEBDVCOIVHRMKF-OAHLLOKOSA-N 0 0 429.498 1.861 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2NC1=O ZINC000064890018 568980815 /nfs/dbraw/zinc/98/08/15/568980815.db2.gz DQLKRGOVHCNREA-CYBMUJFWSA-N 0 0 433.461 1.692 50 0 IDAARN Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000064889957 568980817 /nfs/dbraw/zinc/98/08/17/568980817.db2.gz WMUQRBXZUDPCKC-CYBMUJFWSA-N 0 0 435.527 1.923 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4cccc(F)c4)CC3)cc2NC1=O ZINC000064890045 568980822 /nfs/dbraw/zinc/98/08/22/568980822.db2.gz QBCPFPCAVAQVST-AWEZNQCLSA-N 0 0 447.488 1.621 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cc2NC1=O ZINC000064890067 568981017 /nfs/dbraw/zinc/98/10/17/568981017.db2.gz IUKYHALPMCJTBW-ZDUSSCGKSA-N 0 0 433.461 1.692 50 0 IDAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccn4)CC3)cc2NC1=O 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O=C(CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000170608663 569144927 /nfs/dbraw/zinc/14/49/27/569144927.db2.gz CGAQVGJHYGTOIV-IBGZPJMESA-N 0 0 427.888 1.887 50 0 IDAARN Cn1c2nc(N3CCCCCC3)n(C[C@H](O)COc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000170624425 569148119 /nfs/dbraw/zinc/14/81/19/569148119.db2.gz RRHPFAWIIALNTK-AWEZNQCLSA-N 0 0 447.923 1.897 50 0 IDAARN COc1ccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000170624420 569148161 /nfs/dbraw/zinc/14/81/61/569148161.db2.gz ZLUNFLJDJDKODU-HNNXBMFYSA-N 0 0 443.504 1.108 50 0 IDAARN O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009870285 569149432 /nfs/dbraw/zinc/14/94/32/569149432.db2.gz BNPGUAQCIBJRLB-IBGZPJMESA-N 0 0 429.498 1.371 50 0 IDAARN Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000010026916 569151670 /nfs/dbraw/zinc/15/16/70/569151670.db2.gz CACNGKXUSWYQML-CQSZACIVSA-N 0 0 448.570 1.894 50 0 IDAARN O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000010219828 569152662 /nfs/dbraw/zinc/15/26/62/569152662.db2.gz OTZCBTKMEHNBBN-UHFFFAOYSA-N 0 0 429.433 1.090 50 0 IDAARN Cn1cnnc1SCc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)OCCO3)co1 ZINC000010220369 569152948 /nfs/dbraw/zinc/15/29/48/569152948.db2.gz SBUCYJDDLNYDID-UHFFFAOYSA-N 0 0 430.442 1.849 50 0 IDAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000010216626 569153171 /nfs/dbraw/zinc/15/31/71/569153171.db2.gz SJWDWGSGUKIIHK-IRXDYDNUSA-N 0 0 441.484 1.768 50 0 IDAARN CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCC3)c1 ZINC000010255131 569153933 /nfs/dbraw/zinc/15/39/33/569153933.db2.gz VYWHBUUMRKYATE-UHFFFAOYSA-N 0 0 441.557 1.549 50 0 IDAARN CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000010385382 569154344 /nfs/dbraw/zinc/15/43/44/569154344.db2.gz QKLSRVKWTVAMDZ-CQSZACIVSA-N 0 0 431.493 1.474 50 0 IDAARN Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385512 569154412 /nfs/dbraw/zinc/15/44/12/569154412.db2.gz RLIWZHCDDIYGHH-INIZCTEOSA-N 0 0 441.532 1.895 50 0 IDAARN C[C@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc21)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000249692826 569155372 /nfs/dbraw/zinc/15/53/72/569155372.db2.gz NIEGCYLOWUQAIB-DJIMGWMZSA-N 0 0 433.530 1.059 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(c3nc4c(cc(F)cc4F)s3)CC2)CC1 ZINC000013705026 569156675 /nfs/dbraw/zinc/15/66/75/569156675.db2.gz BIXOTTYXLMHPEQ-UHFFFAOYSA-N 0 0 444.529 1.895 50 0 IDAARN Cc1cc(NC(=O)CSCC(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)no1 ZINC000089606734 569159719 /nfs/dbraw/zinc/15/97/19/569159719.db2.gz OZTWOEKQACZXPO-ZDUSSCGKSA-N 0 0 434.482 1.726 50 0 IDAARN Cc1cc(NC(=O)C2CCN(C(=O)CN3C(=O)NC4(C[C@H](C)C[C@@H](C)C4)C3=O)CC2)no1 ZINC000089605162 569159724 /nfs/dbraw/zinc/15/97/24/569159724.db2.gz DZIHSNZLTUTLRI-ZIAGYGMSSA-N 0 0 445.520 1.907 50 0 IDAARN Cc1cc(NC(=O)CSCC(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)no1 ZINC000089606736 569159731 /nfs/dbraw/zinc/15/97/31/569159731.db2.gz OZTWOEKQACZXPO-CYBMUJFWSA-N 0 0 434.482 1.726 50 0 IDAARN O=C(NC[C@]1(O)CCOC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000089781062 569163012 /nfs/dbraw/zinc/16/30/12/569163012.db2.gz VFDXWJAKKNKDOK-OAQYLSRUSA-N 0 0 448.497 1.530 50 0 IDAARN O=C(Cn1nc2ccc(S(=O)(=O)c3ccccc3)nn2c1=O)Nc1ccc(F)c(F)c1 ZINC000016843597 569163734 /nfs/dbraw/zinc/16/37/34/569163734.db2.gz QITYERXZBXTBEA-UHFFFAOYSA-N 0 0 445.407 1.641 50 0 IDAARN O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccc(=O)[nH]c1 ZINC000016850522 569164715 /nfs/dbraw/zinc/16/47/15/569164715.db2.gz QRPLKZXNVDYKHA-UHFFFAOYSA-N 0 0 434.452 1.001 50 0 IDAARN O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)N1CCN(c2ccccn2)CC1 ZINC000016851191 569164854 /nfs/dbraw/zinc/16/48/54/569164854.db2.gz OBTBNQBHWUEPIU-UHFFFAOYSA-N 0 0 438.513 1.760 50 0 IDAARN COc1ccccc1N1C(=S)N=NC1CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016913786 569165937 /nfs/dbraw/zinc/16/59/37/569165937.db2.gz ZCWCEJSRFRICEP-UHFFFAOYSA-N 0 0 447.542 1.745 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(CCOc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 ZINC000089917035 569167435 /nfs/dbraw/zinc/16/74/35/569167435.db2.gz HSOAZHMVZLHBAJ-NRFANRHFSA-N 0 0 447.513 1.792 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC1(C)OCCO1 ZINC000089919724 569167765 /nfs/dbraw/zinc/16/77/65/569167765.db2.gz YJGRQJAWCDMZNY-UHFFFAOYSA-N 0 0 432.498 1.939 50 0 IDAARN CCCC[C@H](C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)N1CCCS1(=O)=O ZINC000089950186 569168664 /nfs/dbraw/zinc/16/86/64/569168664.db2.gz ZOMOMWMEQUKBAK-RTBURBONSA-N 0 0 442.626 1.126 50 0 IDAARN CCCC[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O ZINC000089950174 569168689 /nfs/dbraw/zinc/16/86/89/569168689.db2.gz ZOMOMWMEQUKBAK-OALUTQOASA-N 0 0 442.626 1.126 50 0 IDAARN COc1ccc(NC(=O)NC(=O)COC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1 ZINC000014767348 569171742 /nfs/dbraw/zinc/17/17/42/569171742.db2.gz ZUQHBNYEDMAIPF-AWEZNQCLSA-N 0 0 429.429 1.470 50 0 IDAARN Cc1ccc(-n2nnnc2CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000017053400 569171991 /nfs/dbraw/zinc/17/19/91/569171991.db2.gz IEZDHBPBRORSLN-UHFFFAOYSA-N 0 0 440.529 1.994 50 0 IDAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 ZINC000017169685 569175266 /nfs/dbraw/zinc/17/52/66/569175266.db2.gz AVAPWFFGKMVBMS-PBHICJAKSA-N 0 0 440.905 1.859 50 0 IDAARN O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000017178799 569175660 /nfs/dbraw/zinc/17/56/60/569175660.db2.gz ATAOHQYQAWCIFR-HXUWFJFHSA-N 0 0 439.512 1.654 50 0 IDAARN Cn1nc2nc(N3CCN(CCN4CCOCC4)CC3)nc(-c3ccccc3F)c2c1N ZINC000037358362 569176130 /nfs/dbraw/zinc/17/61/30/569176130.db2.gz DBLHKDOUHZBMSR-UHFFFAOYSA-N 0 0 440.527 1.206 50 0 IDAARN COc1ccccc1OC[C@H](O)CN1CCN(C[C@@H](O)COc2ccccc2OC)CC1 ZINC000019913294 569181058 /nfs/dbraw/zinc/18/10/58/569181058.db2.gz SBVOXBJBJCUZFP-WOJBJXKFSA-N 0 0 446.544 1.501 50 0 IDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000002134323 569185168 /nfs/dbraw/zinc/18/51/68/569185168.db2.gz AHGOZVVUHWJLQW-YQYRJILISA-N 0 0 425.485 1.913 50 0 biogenic IDAARN COc1ccc(NC(=O)CNC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002139673 569185413 /nfs/dbraw/zinc/18/54/13/569185413.db2.gz YZQQLTKAYSDCTD-DIKXUDHVSA-N 0 0 436.461 1.146 50 0 biogenic IDAARN COCCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCO[C@@H](C)C1 ZINC000252480110 569186209 /nfs/dbraw/zinc/18/62/09/569186209.db2.gz BVUNOBONLZHRGA-INIZCTEOSA-N 0 0 435.550 1.601 50 0 IDAARN Cn1ccc2cc([C@H](O)CNC(=O)C(=O)Nc3cc4c5c(c3)CCC(=O)N5CC4)ccc21 ZINC000252498703 569187984 /nfs/dbraw/zinc/18/79/84/569187984.db2.gz RIWSMLOPQATZAR-HXUWFJFHSA-N 0 0 432.480 1.802 50 0 IDAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 ZINC000027271891 569189049 /nfs/dbraw/zinc/18/90/49/569189049.db2.gz KOCOMHZXRISPTK-UHFFFAOYSA-N 0 0 429.454 1.175 50 0 IDAARN CC[C@H](C)[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000252536233 569189843 /nfs/dbraw/zinc/18/98/43/569189843.db2.gz HXIRDDSEBDDGHL-UAGQMJEPSA-N 0 0 435.521 1.675 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000252536203 569189913 /nfs/dbraw/zinc/18/99/13/569189913.db2.gz HVYRLYZWJHFKQE-NQIIRXRSSA-N 0 0 434.496 1.945 50 0 IDAARN O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000252538951 569190118 /nfs/dbraw/zinc/19/01/18/569190118.db2.gz NLGHURMCHHOXBA-SOLBZPMBSA-N 0 0 438.459 1.648 50 0 IDAARN CC(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)n(-c3ccc(C(C)C)cc3)c2=O)CC1 ZINC000037399046 569194205 /nfs/dbraw/zinc/19/42/05/569194205.db2.gz YEGODJBJZZPBOI-UHFFFAOYSA-N 0 0 448.523 1.967 50 0 IDAARN COc1ccc(C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)c(O)c1 ZINC000007778941 569202269 /nfs/dbraw/zinc/20/22/69/569202269.db2.gz WMLJFXGZJPOSCS-OAHLLOKOSA-N 0 0 425.503 1.906 50 0 IDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000252693149 569210719 /nfs/dbraw/zinc/21/07/19/569210719.db2.gz BDRXNLLNSXNAAR-KXDKRWLWSA-N 0 0 449.463 1.025 50 0 biogenic IDAARN COc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccc(OC)cc2OC)c3=O)cc1 ZINC000002253553 569216565 /nfs/dbraw/zinc/21/65/65/569216565.db2.gz CMGXMMYSYLHYPA-ODLFYWEKSA-N 0 0 437.477 1.676 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CCN(Cc1ccc(C)o1)CC2 ZINC000012034291 569256568 /nfs/dbraw/zinc/25/65/68/569256568.db2.gz RIAVJTJCEYIOMK-UHFFFAOYSA-N 0 0 439.516 1.833 50 0 IDAARN C/C=C(\C)CN1CCc2c(C(=O)N3CCCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000012133541 569256639 /nfs/dbraw/zinc/25/66/39/569256639.db2.gz OCONGDYIXPAZHD-VIHDGPTJSA-N 0 0 431.533 1.849 50 0 IDAARN COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C2C(C)=Nc3ccccc3N2[C@@H](C(=O)OC)C1 ZINC000019865230 569257041 /nfs/dbraw/zinc/25/70/41/569257041.db2.gz HNILMRLOMWOWBG-OAHLLOKOSA-N 0 0 442.424 1.614 50 0 IDAARN Nc1cc(N)nc(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198397 569257445 /nfs/dbraw/zinc/25/74/45/569257445.db2.gz LQUJOZIAJWCDRL-QGZVFWFLSA-N 0 0 444.542 1.438 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](n2cnc3c2nc(Cl)nc3Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000101431706 569258704 /nfs/dbraw/zinc/25/87/04/569258704.db2.gz PYXZXWLFAMZVPY-NFOTXUCKSA-N 0 0 447.231 1.457 50 0 IDAARN COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@@]12c1ccccc1NC2=O ZINC000002289078 569264105 /nfs/dbraw/zinc/26/41/05/569264105.db2.gz UNBKQTZIRKZPKN-QFIPXVFZSA-N 0 0 430.457 1.882 50 0 IDAARN Cn1c2c(nc(Br)n2C[C@H]2CCN(C(=O)c3ccccc3)C2)c(=O)n(C)c1=O ZINC000253398504 569264803 /nfs/dbraw/zinc/26/48/03/569264803.db2.gz WKFICFHOIGEBAE-LBPRGKRZSA-N 0 0 446.305 1.359 50 0 IDAARN O=C(CNc1cccc2c1OCC[C@H]2O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000253419014 569266694 /nfs/dbraw/zinc/26/66/94/569266694.db2.gz GRQYICYOIMYCFZ-LJQANCHMSA-N 0 0 431.514 1.448 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)OCC(N)=O)cc1 ZINC000253426356 569267232 /nfs/dbraw/zinc/26/72/32/569267232.db2.gz FPOQLKXKBWZERS-IBGZPJMESA-N 0 0 432.498 1.792 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc1 ZINC000253473116 569282832 /nfs/dbraw/zinc/28/28/32/569282832.db2.gz RLJFDQHJAIWOEA-UHFFFAOYSA-N 0 0 440.503 1.344 50 0 IDAARN CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCOC2)CC1 ZINC000253630167 569284450 /nfs/dbraw/zinc/28/44/50/569284450.db2.gz SZNJUQPAGBTHAG-SFHVURJKSA-N 0 0 429.569 1.311 50 0 IDAARN CCCCn1c2nc(COC(=O)C=Cc3ccc(O)c(OC)c3)n(C)c2c(=O)[nH]c1=O ZINC000009467169 569296602 /nfs/dbraw/zinc/29/66/02/569296602.db2.gz PZTKBZHHRMZPHW-VQHVLOKHSA-N 0 0 428.445 1.694 50 0 IDAARN COc1ccc(N2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000225423709 569299841 /nfs/dbraw/zinc/29/98/41/569299841.db2.gz XZZZKPCGXQJBQF-VKJFTORMSA-N 0 0 436.468 1.318 50 0 biogenic IDAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCCCC1 ZINC000012945892 569305058 /nfs/dbraw/zinc/30/50/58/569305058.db2.gz HJZLKAPMWQYULF-HNNXBMFYSA-N 0 0 440.518 1.461 50 0 IDAARN CCN1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000012997779 569306170 /nfs/dbraw/zinc/30/61/70/569306170.db2.gz HVGXDBVRHSPWHM-IBGZPJMESA-N 0 0 448.633 1.424 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCC(C(N)=O)CC1 ZINC000013004690 569306244 /nfs/dbraw/zinc/30/62/44/569306244.db2.gz APELCGJKDCMUOI-UHFFFAOYSA-N 0 0 443.525 1.784 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)CC2=O)c1 ZINC000013017539 569307168 /nfs/dbraw/zinc/30/71/68/569307168.db2.gz HOIGZNGXDJSPTA-GOSISDBHSA-N 0 0 436.512 1.831 50 0 IDAARN COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000013030353 569307469 /nfs/dbraw/zinc/30/74/69/569307469.db2.gz QNLYIWMLYNBLES-UHFFFAOYSA-N 0 0 425.457 1.918 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 ZINC000013060501 569308557 /nfs/dbraw/zinc/30/85/57/569308557.db2.gz IFKLARASNBRMTR-GOSISDBHSA-N 0 0 427.482 1.585 50 0 IDAARN CCCn1c(N)c(C(=O)COC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(=O)[nH]c1=O ZINC000013069148 569308916 /nfs/dbraw/zinc/30/89/16/569308916.db2.gz QFCHCTJKYCFABB-UHFFFAOYSA-N 0 0 446.460 1.916 50 0 IDAARN O=C(CNC(=O)CN1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(F)c(F)c1F ZINC000013096843 569309598 /nfs/dbraw/zinc/30/95/98/569309598.db2.gz OFAQUHSCLFUCCC-UHFFFAOYSA-N 0 0 440.466 1.883 50 0 IDAARN COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)cc1OC ZINC000013371286 569314980 /nfs/dbraw/zinc/31/49/80/569314980.db2.gz KNOYMAXRKSDFSC-LPHOPBHVSA-N 0 0 425.528 1.433 50 0 IDAARN COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000013371838 569315092 /nfs/dbraw/zinc/31/50/92/569315092.db2.gz HCCSMJVZMRMOLV-OALUTQOASA-N 0 0 427.519 1.872 50 0 IDAARN CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000078739160 569318884 /nfs/dbraw/zinc/31/88/84/569318884.db2.gz PXUHKSVLMBUKCL-NSHDSACASA-N 0 0 428.458 1.256 50 0 IDAARN O=C([C@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000078800583 569319093 /nfs/dbraw/zinc/31/90/93/569319093.db2.gz DZOUZDVXIASHDX-LJQANCHMSA-N 0 0 427.482 1.018 50 0 IDAARN CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000078875215 569319682 /nfs/dbraw/zinc/31/96/82/569319682.db2.gz OXMMLFOMMJUFCM-GJZGRUSLSA-N 0 0 449.533 1.533 50 0 IDAARN CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000078875211 569319748 /nfs/dbraw/zinc/31/97/48/569319748.db2.gz OXMMLFOMMJUFCM-HUUCEWRRSA-N 0 0 449.533 1.533 50 0 IDAARN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1NC(=O)N[C@@H]1CCC[C@H]1C(N)=O ZINC000078947531 569320421 /nfs/dbraw/zinc/32/04/21/569320421.db2.gz WAPZNVFUDKASKT-ZJIFWQFVSA-N 0 0 430.509 1.546 50 0 IDAARN O=C(Cn1nnnc1-c1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000078965402 569320636 /nfs/dbraw/zinc/32/06/36/569320636.db2.gz YZQYAWZTWIHIIG-UHFFFAOYSA-N 0 0 430.465 1.012 50 0 IDAARN CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N1CCCC[C@@H]1C)c(=O)n2C ZINC000019625658 569323760 /nfs/dbraw/zinc/32/37/60/569323760.db2.gz AQAUTAUKQDDKDI-ZDUSSCGKSA-N 0 0 428.489 1.550 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000079061911 569323866 /nfs/dbraw/zinc/32/38/66/569323866.db2.gz PONUMTCXZYRIQD-JLTOFOAXSA-N 0 0 437.518 1.287 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000079061906 569323880 /nfs/dbraw/zinc/32/38/80/569323880.db2.gz PONUMTCXZYRIQD-VLIAUNLRSA-N 0 0 437.518 1.287 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000079092399 569325208 /nfs/dbraw/zinc/32/52/08/569325208.db2.gz FVGQIQWVILZBNR-INIZCTEOSA-N 0 0 426.539 1.474 50 0 IDAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc3c(c1)CCS3(=O)=O)C2=O ZINC000079097628 569325408 /nfs/dbraw/zinc/32/54/08/569325408.db2.gz QHFANTXYWJOCMM-UHFFFAOYSA-N 0 0 433.530 1.523 50 0 IDAARN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)cc1 ZINC000079110989 569326143 /nfs/dbraw/zinc/32/61/43/569326143.db2.gz RXBHDJMHGCIXHW-KRWDZBQOSA-N 0 0 430.530 1.757 50 0 IDAARN Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@H]4CC(=O)N(C(C)C)C4=O)cc3)nc12 ZINC000079111277 569326189 /nfs/dbraw/zinc/32/61/89/569326189.db2.gz VPQPPPXVRCITPD-KRWDZBQOSA-N 0 0 433.468 1.900 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019797010 569329572 /nfs/dbraw/zinc/32/95/72/569329572.db2.gz HJXWRXLSJJIHFL-VXKWHMMOSA-N 0 0 448.610 1.752 50 0 IDAARN CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019797271 569329639 /nfs/dbraw/zinc/32/96/39/569329639.db2.gz OKOUOIPAJQSPIT-IRXDYDNUSA-N 0 0 449.978 1.554 50 0 IDAARN CCN(C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000019797478 569329662 /nfs/dbraw/zinc/32/96/62/569329662.db2.gz JYXHPBMFOQRPSO-HNNXBMFYSA-N 0 0 428.532 1.038 50 0 IDAARN CCN(C(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000019797477 569329677 /nfs/dbraw/zinc/32/96/77/569329677.db2.gz JYXHPBMFOQRPSO-OAHLLOKOSA-N 0 0 428.532 1.038 50 0 IDAARN COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)cc1 ZINC000019819940 569329917 /nfs/dbraw/zinc/32/99/17/569329917.db2.gz HICSCMYMEIJYKH-LJQANCHMSA-N 0 0 434.514 1.818 50 0 IDAARN COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCOCC2)cc1 ZINC000019819942 569330042 /nfs/dbraw/zinc/33/00/42/569330042.db2.gz HICSCMYMEIJYKH-IBGZPJMESA-N 0 0 434.514 1.818 50 0 IDAARN Cn1c(CN2CCSCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000079479355 569330887 /nfs/dbraw/zinc/33/08/87/569330887.db2.gz NTHJGXMTXUWXGF-UHFFFAOYSA-N 0 0 428.602 1.958 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000020104784 569334261 /nfs/dbraw/zinc/33/42/61/569334261.db2.gz NBBSQRKGEHUVLZ-UHFFFAOYSA-N 0 0 428.489 1.245 50 0 IDAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)C(=S)N2CCNC(C)=O)cc1 ZINC000020115058 569335020 /nfs/dbraw/zinc/33/50/20/569335020.db2.gz BCZDEKVIMNDLBF-GOSISDBHSA-N 0 0 444.513 1.751 50 0 IDAARN CN1c2ccc(NC(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)cc2N(C)S1(=O)=O ZINC000390826436 569353831 /nfs/dbraw/zinc/35/38/31/569353831.db2.gz KZFMRFMVQHCIKO-LBPRGKRZSA-N 0 0 447.542 1.538 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390830175 569354209 /nfs/dbraw/zinc/35/42/09/569354209.db2.gz JGMLTGIGDLJYLO-UHFFFAOYSA-N 0 0 430.486 1.840 50 0 IDAARN CCSc1nc2n(n1)[C@@H](c1ccc(OCC(N)=O)c(OC)c1)C(C(=O)OC)C(C)=N2 ZINC000020190968 569355620 /nfs/dbraw/zinc/35/56/20/569355620.db2.gz UHSPOZUHMXQZQQ-INIZCTEOSA-N 0 0 433.490 1.725 50 0 IDAARN COc1ccc(CCNC(=O)Cn2ncc3cc(OC)c(OC)cc3c2=O)cc1OC ZINC000094993071 569355821 /nfs/dbraw/zinc/35/58/21/569355821.db2.gz NRUFKOREZUZNGN-UHFFFAOYSA-N 0 0 427.457 1.790 50 0 IDAARN COC(CNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O)OC ZINC000020240262 569357743 /nfs/dbraw/zinc/35/77/43/569357743.db2.gz SDVJUCCGBZXKGL-UHFFFAOYSA-N 0 0 437.518 1.062 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccccc1)C(=O)CO2 ZINC000020279370 569358594 /nfs/dbraw/zinc/35/85/94/569358594.db2.gz JCYHSONTTFQPII-UHFFFAOYSA-N 0 0 431.514 1.759 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020283813 569358864 /nfs/dbraw/zinc/35/88/64/569358864.db2.gz ZUWZRYDLOWUPGB-SFHVURJKSA-N 0 0 446.504 1.072 50 0 IDAARN C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCOCC1 ZINC000020287388 569359182 /nfs/dbraw/zinc/35/91/82/569359182.db2.gz IIFZOFCONCABJW-KUHUBIRLSA-N 0 0 431.514 1.671 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2oc1=O ZINC000020287015 569359215 /nfs/dbraw/zinc/35/92/15/569359215.db2.gz PSEHOCVMQLZQEU-UHFFFAOYSA-N 0 0 445.497 1.669 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000020287759 569359322 /nfs/dbraw/zinc/35/93/22/569359322.db2.gz TWTGTJWPBCWVED-UZLBHIALSA-N 0 0 430.574 1.866 50 0 IDAARN Cc1ccc(S(=O)(=O)CC(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)cc1 ZINC000095399216 569363639 /nfs/dbraw/zinc/36/36/39/569363639.db2.gz XSODBYFEGLJSPG-UHFFFAOYSA-N 0 0 448.526 1.857 50 0 IDAARN CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)cc1 ZINC000095410458 569365352 /nfs/dbraw/zinc/36/53/52/569365352.db2.gz RUKKSCCNIQRAOF-OAHLLOKOSA-N 0 0 433.534 1.559 50 0 IDAARN COC(=O)[C@@]1(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCSC1 ZINC000095444109 569367018 /nfs/dbraw/zinc/36/70/18/569367018.db2.gz VGKKXBAVWIOGTK-OAHLLOKOSA-N 0 0 436.349 1.529 50 0 IDAARN CC[C@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000095445398 569367143 /nfs/dbraw/zinc/36/71/43/569367143.db2.gz XXVWQTVMOXDBNM-QGZVFWFLSA-N 0 0 426.516 1.649 50 0 IDAARN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000095451931 569367869 /nfs/dbraw/zinc/36/78/69/569367869.db2.gz XMMLGEXNRUGLCU-OAHLLOKOSA-N 0 0 449.504 1.600 50 0 IDAARN Cc1ccc(O)c(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)c1 ZINC000095459536 569369454 /nfs/dbraw/zinc/36/94/54/569369454.db2.gz OVKOAWUZWPWBOG-UHFFFAOYSA-N 0 0 442.515 1.235 50 0 IDAARN COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)s1 ZINC000095461809 569369879 /nfs/dbraw/zinc/36/98/79/569369879.db2.gz FRCHXCWDHFUCKZ-UHFFFAOYSA-N 0 0 440.499 1.396 50 0 IDAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccncc1 ZINC000095471241 569371830 /nfs/dbraw/zinc/37/18/30/569371830.db2.gz DXYQTHMBFDPHGN-CABCVRRESA-N 0 0 434.493 1.765 50 0 IDAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccc(-c3nnn(C)n3)c1)C=C2 ZINC000095472864 569372360 /nfs/dbraw/zinc/37/23/60/569372360.db2.gz VKXKFCODLJBOCN-UHFFFAOYSA-N 0 0 434.456 1.888 50 0 IDAARN O=C([C@H](c1ccccc1)n1cnnn1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000095476257 569373071 /nfs/dbraw/zinc/37/30/71/569373071.db2.gz FETGUWVGDCWOCX-SFHVURJKSA-N 0 0 446.920 1.449 50 0 IDAARN Cc1nc2n(c1CN1CCN(C(=O)Nc3ccnc(C(=O)N(C)C)c3)CC1)CCCC2 ZINC000095942667 569375536 /nfs/dbraw/zinc/37/55/36/569375536.db2.gz RGSQYVMYZSTLSW-UHFFFAOYSA-N 0 0 425.537 1.974 50 0 IDAARN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000095959107 569376947 /nfs/dbraw/zinc/37/69/47/569376947.db2.gz CJVXMDIESHIILA-ZIAGYGMSSA-N 0 0 442.559 1.958 50 0 IDAARN CCC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000095979890 569377766 /nfs/dbraw/zinc/37/77/66/569377766.db2.gz WKFRTCRNXHEDKF-KRWDZBQOSA-N 0 0 438.546 1.619 50 0 IDAARN CC(C)c1cc(NC(=O)C(=O)NCC[S@](=O)Cc2ccccc2)n(-c2ncccn2)n1 ZINC000095985782 569378042 /nfs/dbraw/zinc/37/80/42/569378042.db2.gz CBTJHHOIGPYIRE-WJOKGBTCSA-N 0 0 440.529 1.789 50 0 IDAARN CC(C)c1cc(NC(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)n(-c2ncccn2)n1 ZINC000095985781 569378109 /nfs/dbraw/zinc/37/81/09/569378109.db2.gz CBTJHHOIGPYIRE-HKBQPEDESA-N 0 0 440.529 1.789 50 0 IDAARN CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)OCC(=O)N1CCc2sccc2C1 ZINC000095995837 569378722 /nfs/dbraw/zinc/37/87/22/569378722.db2.gz OMGYVJYOCZCPPT-CYBMUJFWSA-N 0 0 425.507 1.335 50 0 IDAARN CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)OCC(=O)N1CCc2sccc2C1 ZINC000095995836 569378753 /nfs/dbraw/zinc/37/87/53/569378753.db2.gz OMGYVJYOCZCPPT-ZDUSSCGKSA-N 0 0 425.507 1.335 50 0 IDAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)CCCN1CCOCC1 ZINC000095996978 569378872 /nfs/dbraw/zinc/37/88/72/569378872.db2.gz DJKYQWNLQFHTJC-UHFFFAOYSA-N 0 0 437.484 1.807 50 0 IDAARN Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)NCCCN3C(=O)CNC3=O)cs2)c1 ZINC000096004324 569379157 /nfs/dbraw/zinc/37/91/57/569379157.db2.gz GCWWNZWLYCZISY-UHFFFAOYSA-N 0 0 431.474 1.010 50 0 IDAARN O=C(CCn1cnc2sccc2c1=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000096005233 569379314 /nfs/dbraw/zinc/37/93/14/569379314.db2.gz UFQRZIXEOOIDQS-OAHLLOKOSA-N 0 0 438.575 1.701 50 0 IDAARN COC(=O)Cn1ncc2c1ncnc2N1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000096005728 569379351 /nfs/dbraw/zinc/37/93/51/569379351.db2.gz PQJSUUXOHGENHB-UONOGXRCSA-N 0 0 434.497 1.508 50 0 IDAARN CC(=O)NCCN(CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H](C)C(=O)OC(C)(C)C ZINC000096004585 569379360 /nfs/dbraw/zinc/37/93/60/569379360.db2.gz OHANFOVOAGXPDY-HNNXBMFYSA-N 0 0 435.521 1.955 50 0 IDAARN COc1ccc(C(=O)N(CCO)Cc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000096009090 569379666 /nfs/dbraw/zinc/37/96/66/569379666.db2.gz GKXIGSUOSVRSSR-UHFFFAOYSA-N 0 0 448.541 1.659 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)NCCn1nc(-c2cccs2)n(C2CC2)c1=O ZINC000096096645 569381244 /nfs/dbraw/zinc/38/12/44/569381244.db2.gz GTLWJCKXKZZRBM-UHFFFAOYSA-N 0 0 425.470 1.833 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc1 ZINC000096096686 569381349 /nfs/dbraw/zinc/38/13/49/569381349.db2.gz RHRHMWJWXNDFAK-UHFFFAOYSA-N 0 0 448.526 1.873 50 0 IDAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1 ZINC000096099627 569381623 /nfs/dbraw/zinc/38/16/23/569381623.db2.gz VEHVQSAZNCQHSV-UHFFFAOYSA-N 0 0 441.509 1.870 50 0 IDAARN COc1cccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c1OC ZINC000096114391 569382879 /nfs/dbraw/zinc/38/28/79/569382879.db2.gz DQGTUUIAWHMUOU-UHFFFAOYSA-N 0 0 432.381 1.186 50 0 biogenic IDAARN O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000096114838 569383090 /nfs/dbraw/zinc/38/30/90/569383090.db2.gz IJTHYXWALQIEOJ-IBGZPJMESA-N 0 0 446.467 1.767 50 0 biogenic IDAARN Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000096121862 569385169 /nfs/dbraw/zinc/38/51/69/569385169.db2.gz MSVCFCFWZGECPP-UHFFFAOYSA-N 0 0 440.518 1.487 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)CC1 ZINC000096124015 569385333 /nfs/dbraw/zinc/38/53/33/569385333.db2.gz NBLYXNAZAXYIGI-HNNXBMFYSA-N 0 0 428.497 1.011 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(c3ccc(-n4cncn4)nn3)C1)CC2 ZINC000096124130 569385440 /nfs/dbraw/zinc/38/54/40/569385440.db2.gz VPOPIJVQGOBNJM-QGZVFWFLSA-N 0 0 449.515 1.876 50 0 IDAARN CCOC(=O)N1CCc2nn(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)cc2C1 ZINC000096125539 569385766 /nfs/dbraw/zinc/38/57/66/569385766.db2.gz UUKGZLOXUQMBHP-UHFFFAOYSA-N 0 0 444.488 1.134 50 0 IDAARN CNS(=O)(=O)c1cc(/C=C\C(=O)Nc2cccc(OCCC(N)=O)c2)ccc1OC ZINC000096133848 569385889 /nfs/dbraw/zinc/38/58/89/569385889.db2.gz CAAIKKXUBJRFED-CLFYSBASSA-N 0 0 433.486 1.509 50 0 IDAARN CCOc1ccc(NC(=O)COC(=O)c2cnc(N3CCOCC3)nc2COC)cc1 ZINC000096182429 569386039 /nfs/dbraw/zinc/38/60/39/569386039.db2.gz RJHRVPUAXXXUHT-UHFFFAOYSA-N 0 0 430.461 1.654 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCN(c2ccccn2)CC1 ZINC000096230946 569387506 /nfs/dbraw/zinc/38/75/06/569387506.db2.gz CTFCMPWOAQPAMA-KRWDZBQOSA-N 0 0 427.892 1.894 50 0 IDAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCc3nc4ccccc4n3C)C2=O)cc1 ZINC000096232231 569387756 /nfs/dbraw/zinc/38/77/56/569387756.db2.gz CJXOSVWXICZRPQ-SFHVURJKSA-N 0 0 435.484 1.751 50 0 IDAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)CC(C)C)CC2)N1C(=O)c1cccc(C)c1 ZINC000096274588 569388167 /nfs/dbraw/zinc/38/81/67/569388167.db2.gz XDJZWKBEHGJVJM-FQEVSTJZSA-N 0 0 445.560 1.963 50 0 IDAARN COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NC[C@@H]2CCCO2)C3)cc1 ZINC000096287246 569390370 /nfs/dbraw/zinc/39/03/70/569390370.db2.gz MRRHXAIEXPACKX-LPHOPBHVSA-N 0 0 442.516 1.561 50 0 IDAARN CCN1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccccc3OC)c2=O)CC1 ZINC000096318122 569393746 /nfs/dbraw/zinc/39/37/46/569393746.db2.gz XCVXFWXNAOSSOU-UHFFFAOYSA-N 0 0 436.512 1.634 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c1 ZINC000096321816 569394158 /nfs/dbraw/zinc/39/41/58/569394158.db2.gz GKHNZJHHZPXFAF-UHFFFAOYSA-N 0 0 447.444 1.871 50 0 IDAARN CCn1c(=O)c(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2cccnc21 ZINC000096321660 569394189 /nfs/dbraw/zinc/39/41/89/569394189.db2.gz QUVRRRPDSKBRBZ-UHFFFAOYSA-N 0 0 436.472 1.937 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000096323235 569395133 /nfs/dbraw/zinc/39/51/33/569395133.db2.gz FEWPTLATJNQIFN-UHFFFAOYSA-N 0 0 430.486 1.290 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000096323273 569395145 /nfs/dbraw/zinc/39/51/45/569395145.db2.gz MMZDYAQFQGDAPD-UHFFFAOYSA-N 0 0 441.351 1.946 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)CC2)c1C ZINC000096323342 569395270 /nfs/dbraw/zinc/39/52/70/569395270.db2.gz SCAMZNPPQFVVBU-MRXNPFEDSA-N 0 0 447.561 1.171 50 0 IDAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCOCC1 ZINC000096324125 569395700 /nfs/dbraw/zinc/39/57/00/569395700.db2.gz ACVFOOLXCNIYNA-UHFFFAOYSA-N 0 0 439.559 1.487 50 0 IDAARN CC(=O)Nc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC2)cc1 ZINC000096324893 569396073 /nfs/dbraw/zinc/39/60/73/569396073.db2.gz UXPVCCGWGMCFML-UHFFFAOYSA-N 0 0 432.484 1.957 50 0 IDAARN O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000096375140 569398208 /nfs/dbraw/zinc/39/82/08/569398208.db2.gz NCJUYHHHKSTGOS-UHFFFAOYSA-N 0 0 427.500 1.819 50 0 IDAARN COc1cc(/C=C\C(=O)OCC(=O)N2CCNC2=O)ccc1OCc1c(C)noc1C ZINC000096401106 569400351 /nfs/dbraw/zinc/40/03/51/569400351.db2.gz HYZKYDCSPZHNCS-ALCCZGGFSA-N 0 0 429.429 1.987 50 0 IDAARN O=C1[C@H](N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCN1CC1CC1 ZINC000097077346 569402997 /nfs/dbraw/zinc/40/29/97/569402997.db2.gz SCKZITRVGTXFHV-GOSISDBHSA-N 0 0 435.546 1.165 50 0 IDAARN O=C(NCc1ccco1)c1cc(C2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)n[nH]1 ZINC000225560563 569404498 /nfs/dbraw/zinc/40/44/98/569404498.db2.gz GAUUPBOHAHWNGQ-UHFFFAOYSA-N 0 0 446.471 1.928 50 0 IDAARN COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000055408462 569404741 /nfs/dbraw/zinc/40/47/41/569404741.db2.gz SPWCARZIVZOXHP-VQTJNVASSA-N 0 0 430.526 1.761 50 0 IDAARN O=C(CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccccn1 ZINC000002493573 569405606 /nfs/dbraw/zinc/40/56/06/569405606.db2.gz JCMYEYWVTMGCAS-UHFFFAOYSA-N 0 0 425.514 1.555 50 0 IDAARN O=C(NCC1CCN(c2cccnc2)CC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000225657168 569406399 /nfs/dbraw/zinc/40/63/99/569406399.db2.gz LVJINFCYPHVFCL-UHFFFAOYSA-N 0 0 433.512 1.888 50 0 IDAARN COc1cc(=O)n(-c2ccccc2)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O ZINC000225668454 569406605 /nfs/dbraw/zinc/40/66/05/569406605.db2.gz FKPRAVPHZRZDNB-ZXFUBFMLSA-N 0 0 431.514 1.531 50 0 IDAARN Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)c1C ZINC000225700719 569407297 /nfs/dbraw/zinc/40/72/97/569407297.db2.gz RPDQCTWUAMVDGO-INIZCTEOSA-N 0 0 437.518 1.168 50 0 IDAARN O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CC[C@@H](N2C(=O)COC2=O)C1 ZINC000225700875 569407363 /nfs/dbraw/zinc/40/73/63/569407363.db2.gz VAYJNARYCCTPSA-MRXNPFEDSA-N 0 0 447.444 1.820 50 0 IDAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@]2(O)CCCc3cc(OC)ccc32)c1 ZINC000225713271 569407441 /nfs/dbraw/zinc/40/74/41/569407441.db2.gz ZVPKKQLRYPOASR-NRFANRHFSA-N 0 0 435.498 1.993 50 0 IDAARN Cc1nc(N2CCC(NC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc(C(F)(F)F)n1 ZINC000225725373 569407565 /nfs/dbraw/zinc/40/75/65/569407565.db2.gz FAJBSWINYAIOST-UHFFFAOYSA-N 0 0 449.499 1.560 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 ZINC000225761399 569408301 /nfs/dbraw/zinc/40/83/01/569408301.db2.gz JFTPHBRUIXTJPP-UHFFFAOYSA-N 0 0 438.415 1.601 50 0 IDAARN O=c1[nH]c2ccccc2c(=O)n1C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000225760989 569408354 /nfs/dbraw/zinc/40/83/54/569408354.db2.gz YFGDDDKPKFXYIY-UHFFFAOYSA-N 0 0 443.481 1.487 50 0 IDAARN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000299754404 569409099 /nfs/dbraw/zinc/40/90/99/569409099.db2.gz JZMHEXPQRVKICL-IXDOHACOSA-N 0 0 435.480 1.618 50 0 biogenic IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000225822493 569409149 /nfs/dbraw/zinc/40/91/49/569409149.db2.gz ASLTXWUEBOVWSE-UHFFFAOYSA-N 0 0 431.518 1.659 50 0 IDAARN O=C(COC(=O)CCS(=O)(=O)c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000002618954 569410633 /nfs/dbraw/zinc/41/06/33/569410633.db2.gz XDUUFIUGFMACMH-UHFFFAOYSA-N 0 0 448.453 1.513 50 0 IDAARN C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C[C@@H](C)O1 ZINC000215686002 569412100 /nfs/dbraw/zinc/41/21/00/569412100.db2.gz HARZAVKWKDZNJH-JTNHKYCSSA-N 0 0 443.572 1.093 50 0 IDAARN CCn1c(=O)c2c(nc1N1CCN(S(=O)(=O)Cc3ccccc3)CC1)c(C)nn2C ZINC000028556862 569412228 /nfs/dbraw/zinc/41/22/28/569412228.db2.gz HMUDCBMCFNOOLC-UHFFFAOYSA-N 0 0 430.534 1.110 50 0 IDAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)o2)cc1OC ZINC000002640307 569413586 /nfs/dbraw/zinc/41/35/86/569413586.db2.gz LIFWQEBEEFUDOW-SECBINFHSA-N 0 0 447.473 1.097 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c(C)c1 ZINC000002644983 569414088 /nfs/dbraw/zinc/41/40/88/569414088.db2.gz WLAOWILYWTWMIV-UHFFFAOYSA-N 0 0 443.533 1.353 50 0 IDAARN C[C@@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000002649741 569414664 /nfs/dbraw/zinc/41/46/64/569414664.db2.gz RUPYMWVDZAPVJJ-GFCCVEGCSA-N 0 0 428.397 1.487 50 0 IDAARN COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000002652281 569415043 /nfs/dbraw/zinc/41/50/43/569415043.db2.gz OIOFRGZMVNMHMD-UHFFFAOYSA-N 0 0 431.470 1.256 50 0 IDAARN O=C(COc1ncnc2ccc(Br)cc21)NCCN1C(=O)CSC1=O ZINC000002657224 569415501 /nfs/dbraw/zinc/41/55/01/569415501.db2.gz SCRMDRSTEGVIEY-UHFFFAOYSA-N 0 0 425.264 1.583 50 0 IDAARN COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)N3CCOCC3)c(C)c2c1=O ZINC000002922760 569425527 /nfs/dbraw/zinc/42/55/27/569425527.db2.gz VCCNLWIMWRVFMI-UHFFFAOYSA-N 0 0 442.497 1.886 50 0 IDAARN COc1ccc([C@H](CC(=O)NCC(OC)OC)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002938725 569426501 /nfs/dbraw/zinc/42/65/01/569426501.db2.gz SUIXTCUEZBXHGL-SFHVURJKSA-N 0 0 440.493 1.979 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000056907954 569427732 /nfs/dbraw/zinc/42/77/32/569427732.db2.gz UUEZWHNENQZNQB-RBUKOAKNSA-N 0 0 446.573 1.976 50 0 IDAARN COC(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1Br ZINC000226686360 569427800 /nfs/dbraw/zinc/42/78/00/569427800.db2.gz XDPLMCIIBWSNPY-UHFFFAOYSA-N 0 0 432.296 1.566 50 0 IDAARN Cc1noc(C)c1CCC(=O)N1CCN(c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 ZINC000056936188 569427833 /nfs/dbraw/zinc/42/78/33/569427833.db2.gz RHFFBYITOGFVRE-GOSISDBHSA-N 0 0 449.577 1.746 50 0 IDAARN COC(=O)c1ccc(CN2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 ZINC000056938973 569427860 /nfs/dbraw/zinc/42/78/60/569427860.db2.gz WTGLIJWZUISCKR-HXUWFJFHSA-N 0 0 446.573 1.968 50 0 IDAARN O=C(COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O)N1CCOCC1 ZINC000056949785 569428307 /nfs/dbraw/zinc/42/83/07/569428307.db2.gz XMJDXYOPOOMHGX-UHFFFAOYSA-N 0 0 447.919 1.853 50 0 IDAARN C[C@@H]1CN(C(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)C[C@@H](C)O1 ZINC000056949937 569428309 /nfs/dbraw/zinc/42/83/09/569428309.db2.gz WBADWPJAUKPTHN-RTBURBONSA-N 0 0 441.528 1.977 50 0 IDAARN COc1ccccc1N1CCN(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000056997335 569428814 /nfs/dbraw/zinc/42/88/14/569428814.db2.gz CXSSGKUJUSQJDS-UHFFFAOYSA-N 0 0 446.573 1.498 50 0 IDAARN COc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1OC ZINC000056997583 569428846 /nfs/dbraw/zinc/42/88/46/569428846.db2.gz DOSSUUNZFUMUMX-UHFFFAOYSA-N 0 0 435.546 1.813 50 0 IDAARN COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000056997878 569428968 /nfs/dbraw/zinc/42/89/68/569428968.db2.gz PRYMSSIOQGUNKX-UHFFFAOYSA-N 0 0 426.473 1.301 50 0 IDAARN O=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000056997983 569428970 /nfs/dbraw/zinc/42/89/70/569428970.db2.gz BTKODXITKSPCDT-UHFFFAOYSA-N 0 0 428.464 1.474 50 0 IDAARN COc1ccccc1N1CCN(CCNC(=O)C(=O)NCc2ccccc2Cl)CC1 ZINC000056997907 569428981 /nfs/dbraw/zinc/42/89/81/569428981.db2.gz YSXNGJQDWVACHF-UHFFFAOYSA-N 0 0 430.936 1.903 50 0 IDAARN COc1cccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000056998119 569428983 /nfs/dbraw/zinc/42/89/83/569428983.db2.gz ACUQBVVMKBDJMN-ZWKOTPCHSA-N 0 0 430.482 1.438 50 0 IDAARN COc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000056998075 569428984 /nfs/dbraw/zinc/42/89/84/569428984.db2.gz YWRONASVWLGKOR-PMACEKPBSA-N 0 0 430.526 1.761 50 0 IDAARN COc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000056998076 569429004 /nfs/dbraw/zinc/42/90/04/569429004.db2.gz YWRONASVWLGKOR-WOJBJXKFSA-N 0 0 430.526 1.761 50 0 IDAARN COc1ccc(N2C(=O)CN(CCc3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000056998081 569429007 /nfs/dbraw/zinc/42/90/07/569429007.db2.gz OLOJIFBFXVFXQT-NHCUHLMSSA-N 0 0 430.526 1.761 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O ZINC000057303497 569430680 /nfs/dbraw/zinc/43/06/80/569430680.db2.gz ZMAFYSBOYNROJW-UHFFFAOYSA-N 0 0 443.548 1.852 50 0 IDAARN C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C[C@@H](C)O1 ZINC000227003378 569430932 /nfs/dbraw/zinc/43/09/32/569430932.db2.gz HARZAVKWKDZNJH-GYSYKLTISA-N 0 0 443.572 1.093 50 0 IDAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)cc1 ZINC000057426603 569434630 /nfs/dbraw/zinc/43/46/30/569434630.db2.gz RNNBRTCLLFDPSM-UHFFFAOYSA-N 0 0 425.470 1.952 50 0 IDAARN CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 ZINC000057428173 569434835 /nfs/dbraw/zinc/43/48/35/569434835.db2.gz XDSQHHWCSGULGO-QGZVFWFLSA-N 0 0 443.525 1.967 50 0 IDAARN Cc1cc(C)n(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(F)c3)CC2)n1 ZINC000057478130 569435894 /nfs/dbraw/zinc/43/58/94/569435894.db2.gz PJHRUKZBNASMLA-UHFFFAOYSA-N 0 0 446.508 1.572 50 0 IDAARN COc1ccc([C@@H](C)NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1 ZINC000057522462 569439010 /nfs/dbraw/zinc/43/90/10/569439010.db2.gz RKEUEEBPTQHYFY-CYBMUJFWSA-N 0 0 443.529 1.643 50 0 IDAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4=O)CC2)c1 ZINC000029984931 569439997 /nfs/dbraw/zinc/43/99/97/569439997.db2.gz JHCYKADIETXPPL-UHFFFAOYSA-N 0 0 425.485 1.869 50 0 IDAARN CCN(CC)S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000057703994 569440959 /nfs/dbraw/zinc/44/09/59/569440959.db2.gz MBLGLDLGAOVCHD-HNNXBMFYSA-N 0 0 428.555 1.235 50 0 IDAARN NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](c1ccccc1OC(F)F)NS2(=O)=O ZINC000003240784 569442559 /nfs/dbraw/zinc/44/25/59/569442559.db2.gz FFUWXHBFNQESMW-CYBMUJFWSA-N 0 0 439.849 1.991 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(C(C)C)C(C)C ZINC000003264162 569443388 /nfs/dbraw/zinc/44/33/88/569443388.db2.gz KHUMYCZJXAGUJT-UHFFFAOYSA-N 0 0 426.535 1.818 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)CCCSc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000003280853 569443879 /nfs/dbraw/zinc/44/38/79/569443879.db2.gz NFZPTSAFBIJZKZ-UHFFFAOYSA-N 0 0 425.894 1.618 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(C)(C)C)n2N)c1 ZINC000003295631 569444640 /nfs/dbraw/zinc/44/46/40/569444640.db2.gz DNRNKQVFRFROBI-UHFFFAOYSA-N 0 0 440.595 1.696 50 0 IDAARN COCCN(CCOC)S(=O)(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000058010697 569444783 /nfs/dbraw/zinc/44/47/83/569444783.db2.gz IDIBDHYUGKMFAJ-UHFFFAOYSA-N 0 0 428.530 1.920 50 0 IDAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1ccccc1F ZINC000003317474 569445814 /nfs/dbraw/zinc/44/58/14/569445814.db2.gz CJCWRQNMPPTBCX-UHFFFAOYSA-N 0 0 440.424 1.781 50 0 IDAARN CC(C)[C@@H](OC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(=O)NC(N)=O ZINC000003325413 569446176 /nfs/dbraw/zinc/44/61/76/569446176.db2.gz ZXNHMHODZDUGEC-QGZVFWFLSA-N 0 0 430.438 1.440 50 0 IDAARN Cn1c(=O)c(C(=O)CSc2nnnn2-c2ccccc2)c(N)n(Cc2ccccc2)c1=O ZINC000003350882 569447377 /nfs/dbraw/zinc/44/73/77/569447377.db2.gz BVYGANSUXNSSOR-UHFFFAOYSA-N 0 0 449.496 1.128 50 0 IDAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c2C1 ZINC000003359758 569447799 /nfs/dbraw/zinc/44/77/99/569447799.db2.gz VQBFOWLZIZZBNN-LBPRGKRZSA-N 0 0 436.468 1.379 50 0 IDAARN COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC(=O)N1CCOCC1 ZINC000003359735 569447804 /nfs/dbraw/zinc/44/78/04/569447804.db2.gz VUPADSGQTHWJMI-UHFFFAOYSA-N 0 0 428.441 1.956 50 0 IDAARN COC(=O)Cn1c(=O)c(C(=O)CN2CCCCCCC2)c(N)n(Cc2ccccc2)c1=O ZINC000003360748 569447876 /nfs/dbraw/zinc/44/78/76/569447876.db2.gz MCUNOPFGAJXBIE-UHFFFAOYSA-N 0 0 442.516 1.262 50 0 IDAARN COc1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000003365045 569448107 /nfs/dbraw/zinc/44/81/07/569448107.db2.gz HQKOFBFLCUXFMW-LLVKDONJSA-N 0 0 433.392 1.592 50 0 IDAARN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1 ZINC000003369005 569448277 /nfs/dbraw/zinc/44/82/77/569448277.db2.gz AUHRXNCTPDRLSK-UHFFFAOYSA-N 0 0 440.499 1.612 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)NC(=O)c1cccn1C ZINC000003412794 569450178 /nfs/dbraw/zinc/45/01/78/569450178.db2.gz VHIKQCUAHHYXHG-UHFFFAOYSA-N 0 0 447.513 1.622 50 0 IDAARN Cc1cc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1Br ZINC000003432408 569450894 /nfs/dbraw/zinc/45/08/94/569450894.db2.gz VLTWGINUXWOFIN-UHFFFAOYSA-N 0 0 433.349 1.926 50 0 IDAARN CC(=O)Nc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000003459182 569451836 /nfs/dbraw/zinc/45/18/36/569451836.db2.gz GCBHQTKHDOHXBE-UHFFFAOYSA-N 0 0 431.514 1.865 50 0 IDAARN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC(=O)Nc3ccccc3C(N)=O)C2)cc1 ZINC000058325044 569453091 /nfs/dbraw/zinc/45/30/91/569453091.db2.gz XVZAETNESSDUQQ-QGZVFWFLSA-N 0 0 444.557 1.723 50 0 IDAARN O=C(NCc1cccnc1)C1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC1 ZINC000058405685 569454267 /nfs/dbraw/zinc/45/42/67/569454267.db2.gz ZNRMBQSSDNFORT-UHFFFAOYSA-N 0 0 444.923 1.530 50 0 IDAARN NC(=O)c1ccc(CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C2CC2)cc1 ZINC000031169842 569454297 /nfs/dbraw/zinc/45/42/97/569454297.db2.gz CBESZPOVOQRTKS-UHFFFAOYSA-N 0 0 443.525 1.611 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4cn[nH]c43)CC2)cc1 ZINC000031190161 569454609 /nfs/dbraw/zinc/45/46/09/569454609.db2.gz XNAAEVDSOLWLLQ-UHFFFAOYSA-N 0 0 442.497 1.886 50 0 IDAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21)N1CCN(c2ccccn2)CC1 ZINC000015774895 569454955 /nfs/dbraw/zinc/45/49/55/569454955.db2.gz JVTJDXLKDXGQTG-UHFFFAOYSA-N 0 0 449.511 1.392 50 0 IDAARN O=S(=O)(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772938 569457285 /nfs/dbraw/zinc/45/72/85/569457285.db2.gz IFQZDOUSUCXBIZ-INIZCTEOSA-N 0 0 433.504 1.587 50 0 IDAARN COc1ccc(OC)c2c1CN(CN1c3cc4c(cc3C(=O)C1=O)OCCO4)C[C@@H]2O ZINC000031783739 569457333 /nfs/dbraw/zinc/45/73/33/569457333.db2.gz IVBPNKFLJMNJKK-HNNXBMFYSA-N 0 0 426.425 1.511 50 0 IDAARN CCCNC(=O)c1ccc(CNc2c(=O)c(=O)c2N2CCC(C(=O)OCC)CC2)cc1 ZINC000004005064 569458031 /nfs/dbraw/zinc/45/80/31/569458031.db2.gz USNRNLXUSJJASJ-UHFFFAOYSA-N 0 0 427.501 1.814 50 0 IDAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C ZINC000004090786 569458918 /nfs/dbraw/zinc/45/89/18/569458918.db2.gz MVXWMRJNABVTPR-RZQQEMMASA-N 0 0 427.567 1.196 50 0 biogenic IDAARN COc1ccc(N2C[C@H](C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 ZINC000032071275 569459214 /nfs/dbraw/zinc/45/92/14/569459214.db2.gz NZWBAAPRENOMJK-GOSISDBHSA-N 0 0 436.512 1.513 50 0 IDAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000032091732 569459603 /nfs/dbraw/zinc/45/96/03/569459603.db2.gz LGYCCHKDXTXMJL-JSGCOSHPSA-N 0 0 432.527 1.509 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)c1 ZINC000032103039 569460222 /nfs/dbraw/zinc/46/02/22/569460222.db2.gz ZEGXHPVCQSBJGC-SFHVURJKSA-N 0 0 430.486 1.163 50 0 IDAARN CCCC(=O)Nc1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000059283534 569460730 /nfs/dbraw/zinc/46/07/30/569460730.db2.gz ADEGDIQYRGCBTM-MRXNPFEDSA-N 0 0 434.518 1.207 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)nn(C)c2C)CC1 ZINC000032215764 569460868 /nfs/dbraw/zinc/46/08/68/569460868.db2.gz WYEIAURFGZRYPM-UHFFFAOYSA-N 0 0 434.518 1.863 50 0 IDAARN O=C(Cn1cc(C(=O)C(=O)N2CCC3(CC2)OCCO3)c2ccccc21)N1CCCC1 ZINC000004271997 569461677 /nfs/dbraw/zinc/46/16/77/569461677.db2.gz BYZDQQGKLDRBMR-UHFFFAOYSA-N 0 0 425.485 1.812 50 0 IDAARN CC(C)OCCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000004284125 569461788 /nfs/dbraw/zinc/46/17/88/569461788.db2.gz HUNLWHQDAYOPJH-DLBZAZTESA-N 0 0 425.576 1.841 50 0 IDAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)Cn2cnc3ccccc32)C[C@@H](C)O1 ZINC000038483735 569462766 /nfs/dbraw/zinc/46/27/66/569462766.db2.gz QGPBOHSFNJALKF-HZPDHXFCSA-N 0 0 434.504 1.606 50 0 IDAARN Cc1ccccc1-c1ccc(N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)nn1 ZINC000038488095 569462954 /nfs/dbraw/zinc/46/29/54/569462954.db2.gz NJBWZJWFOOQESN-UHFFFAOYSA-N 0 0 443.573 1.772 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c3s2)CC1 ZINC000067225865 569465190 /nfs/dbraw/zinc/46/51/90/569465190.db2.gz QIVIPCAAZJAKFK-UHFFFAOYSA-N 0 0 438.557 1.974 50 0 IDAARN COCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(N2CCCC2)n1 ZINC000067256992 569466083 /nfs/dbraw/zinc/46/60/83/569466083.db2.gz QGBWMLQWMIOBFX-UHFFFAOYSA-N 0 0 429.496 1.478 50 0 IDAARN COc1ccc(-n2c(=O)nc3nc(N4CCN(c5ncccn5)CC4)[nH]cc-3c2=O)cc1 ZINC000067264236 569466766 /nfs/dbraw/zinc/46/67/66/569466766.db2.gz CHPCXDRIXXDBCF-UHFFFAOYSA-N 0 0 432.444 1.007 50 0 IDAARN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287453 569467288 /nfs/dbraw/zinc/46/72/88/569467288.db2.gz XJOJGAPXEYGXTD-IBGZPJMESA-N 0 0 431.489 1.705 50 0 IDAARN COc1ccc(S(=O)(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2N)cc1Cl ZINC000067336064 569468889 /nfs/dbraw/zinc/46/88/89/569468889.db2.gz ZJCGUSFCBPQQCB-UHFFFAOYSA-N 0 0 440.909 1.897 50 0 IDAARN O=C(Nc1ccsc1C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)c1cnccn1 ZINC000067335852 569468912 /nfs/dbraw/zinc/46/89/12/569468912.db2.gz CRCRNVJPVUFKTP-UHFFFAOYSA-N 0 0 449.492 1.844 50 0 IDAARN CCOC(=O)Cn1c(=O)n(C[C@@H]2CCCO2)c2nc(-c3ccccc3)nc(C(N)=O)c21 ZINC000008610629 569469370 /nfs/dbraw/zinc/46/93/70/569469370.db2.gz XYJQNEGRGZNYOG-AWEZNQCLSA-N 0 0 425.445 1.101 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000038946936 569469628 /nfs/dbraw/zinc/46/96/28/569469628.db2.gz GRFRPIBESVQMRF-MOPGFXCFSA-N 0 0 437.537 1.272 50 0 IDAARN CC(=O)CN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C ZINC000008704587 569470269 /nfs/dbraw/zinc/47/02/69/569470269.db2.gz XMTOVVBQYVRXOU-ZDUSSCGKSA-N 0 0 428.880 1.944 50 0 IDAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O)c1cccs1 ZINC000008704901 569470347 /nfs/dbraw/zinc/47/03/47/569470347.db2.gz RYDFSALPXCGJDA-HXPMCKFVSA-N 0 0 425.474 1.368 50 0 IDAARN CCOC(=O)c1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 ZINC000008708909 569470700 /nfs/dbraw/zinc/47/07/00/569470700.db2.gz DEVSFOQLSVNJPB-UHFFFAOYSA-N 0 0 439.472 1.579 50 0 IDAARN CCOC(=O)Cn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000008709889 569470791 /nfs/dbraw/zinc/47/07/91/569470791.db2.gz PUDIWXYLJYOVSV-UHFFFAOYSA-N 0 0 427.436 1.517 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000008718204 569471240 /nfs/dbraw/zinc/47/12/40/569471240.db2.gz RGHXEQPNVKFRBU-UHFFFAOYSA-N 0 0 427.486 1.423 50 0 IDAARN CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000008725075 569472109 /nfs/dbraw/zinc/47/21/09/569472109.db2.gz WHZLYZQUIREGLN-UHFFFAOYSA-N 0 0 430.896 1.831 50 0 IDAARN COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc1OC ZINC000008755007 569473906 /nfs/dbraw/zinc/47/39/06/569473906.db2.gz YAUJKMDVNQQZEK-UHFFFAOYSA-N 0 0 443.547 1.929 50 0 IDAARN C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008760453 569474217 /nfs/dbraw/zinc/47/42/17/569474217.db2.gz QDZXBMVBTFSPAQ-ZBFHGGJFSA-N 0 0 445.497 1.253 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O)OC(C)(C)CC3 ZINC000008764289 569474643 /nfs/dbraw/zinc/47/46/43/569474643.db2.gz CVATZHPMBPCGPH-HOTGVXAUSA-N 0 0 435.498 1.022 50 0 biogenic IDAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H]4CS(=O)(=O)C[C@H]4O)c(C)c3cc2c1C ZINC000008765228 569474759 /nfs/dbraw/zinc/47/47/59/569474759.db2.gz CWLPYTGPRICPQL-DLBZAZTESA-N 0 0 433.482 1.671 50 0 biogenic IDAARN Cc1nn(Cn2nnc3ccccc3c2=O)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000008776233 569475386 /nfs/dbraw/zinc/47/53/86/569475386.db2.gz FDHUGVBHQDMXDF-UHFFFAOYSA-N 0 0 436.497 1.862 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008776231 569475421 /nfs/dbraw/zinc/47/54/21/569475421.db2.gz MQCBDKHTFXMCIM-FQEVSTJZSA-N 0 0 442.453 1.909 50 0 IDAARN Cc1cc(C)c2c3ccccc3n(CCNS(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)c2n1 ZINC000008777817 569475460 /nfs/dbraw/zinc/47/54/60/569475460.db2.gz CANPJIDYSUAHIH-KRWDZBQOSA-N 0 0 427.486 1.805 50 0 IDAARN O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000008789820 569475970 /nfs/dbraw/zinc/47/59/70/569475970.db2.gz AYGNWZIEIGHVFJ-ASLVLFSISA-N 0 0 449.419 1.205 50 0 biogenic IDAARN Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1 ZINC000008814328 569476664 /nfs/dbraw/zinc/47/66/64/569476664.db2.gz QJZDUNXPBYPEMK-UHFFFAOYSA-N 0 0 437.532 1.629 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)c(OC)c1 ZINC000008848904 569479180 /nfs/dbraw/zinc/47/91/80/569479180.db2.gz JRAWBKQACDSPGM-UHFFFAOYSA-N 0 0 441.419 1.352 50 0 IDAARN CCOc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(OC)cc2)cc1 ZINC000008849162 569479186 /nfs/dbraw/zinc/47/91/86/569479186.db2.gz DGXVWAGQTPVXMT-UHFFFAOYSA-N 0 0 437.456 1.603 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1 ZINC000008848805 569479205 /nfs/dbraw/zinc/47/92/05/569479205.db2.gz JGSJXVKPXDBSAO-UHFFFAOYSA-N 0 0 427.848 1.857 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c3=O)cc1 ZINC000008849404 569479242 /nfs/dbraw/zinc/47/92/42/569479242.db2.gz OQXDXXVQHHENBP-UHFFFAOYSA-N 0 0 443.410 1.872 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)cc1 ZINC000008849709 569479286 /nfs/dbraw/zinc/47/92/86/569479286.db2.gz YRWMKVIWCDBSRZ-UHFFFAOYSA-N 0 0 449.467 1.681 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)cc1OC ZINC000008849682 569479293 /nfs/dbraw/zinc/47/92/93/569479293.db2.gz DFLHATIKYHDBBA-UHFFFAOYSA-N 0 0 437.456 1.521 50 0 IDAARN COc1cccc([C@@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)c1OC ZINC000039976517 569482214 /nfs/dbraw/zinc/48/22/14/569482214.db2.gz CYHPEICRNQVRSB-OAHLLOKOSA-N 0 0 433.895 1.407 50 0 IDAARN CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ccccc2n1C ZINC000040013499 569482582 /nfs/dbraw/zinc/48/25/82/569482582.db2.gz CWPGAORBAMVPAC-LJQANCHMSA-N 0 0 425.514 1.953 50 0 IDAARN CN(C(=O)c1ccccc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000008881787 569482929 /nfs/dbraw/zinc/48/29/29/569482929.db2.gz VTLZEIGGQJGLRT-HNNXBMFYSA-N 0 0 430.482 1.423 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 ZINC000008882792 569482975 /nfs/dbraw/zinc/48/29/75/569482975.db2.gz PHEZZLSUTANOJQ-UHFFFAOYSA-N 0 0 437.827 1.527 50 0 IDAARN Cc1c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(=O)n(-c2ccccc2)n1C ZINC000008882508 569483004 /nfs/dbraw/zinc/48/30/04/569483004.db2.gz HQIRADQHYAZHER-UHFFFAOYSA-N 0 0 435.444 1.334 50 0 IDAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000008897920 569483962 /nfs/dbraw/zinc/48/39/62/569483962.db2.gz QXDSXKHNPZKJNE-FATZIPQQSA-N 0 0 434.452 1.980 50 0 IDAARN O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000040052191 569484473 /nfs/dbraw/zinc/48/44/73/569484473.db2.gz HRXMGTJELOOVAB-WOJBJXKFSA-N 0 0 441.528 1.953 50 0 IDAARN Cn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000040058744 569484661 /nfs/dbraw/zinc/48/46/61/569484661.db2.gz HTMPBDBVQDYMLG-UHFFFAOYSA-N 0 0 431.470 1.798 50 0 IDAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008915156 569485493 /nfs/dbraw/zinc/48/54/93/569485493.db2.gz CAYNKEUVAAIJJF-LLVKDONJSA-N 0 0 447.922 1.346 50 0 IDAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000040072444 569485951 /nfs/dbraw/zinc/48/59/51/569485951.db2.gz DONFSMQVLUPKAD-XHSDSOJGSA-N 0 0 428.530 1.124 50 0 IDAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CN(C)c2ncccn2)cc1 ZINC000040072741 569485982 /nfs/dbraw/zinc/48/59/82/569485982.db2.gz BPJZCVUIYFUECO-AWEZNQCLSA-N 0 0 435.506 1.170 50 0 IDAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000040091135 569487429 /nfs/dbraw/zinc/48/74/29/569487429.db2.gz NEGPEXRFYJUJSE-UHFFFAOYSA-N 0 0 444.509 1.929 50 0 IDAARN Cc1csc2nc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)n12 ZINC000008931838 569487628 /nfs/dbraw/zinc/48/76/28/569487628.db2.gz COWTZEZRTBQZAX-UHFFFAOYSA-N 0 0 448.526 1.646 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nnc(NC3CC3)s2)cc1 ZINC000008937614 569488182 /nfs/dbraw/zinc/48/81/82/569488182.db2.gz JISYZGVXGYCJKV-UHFFFAOYSA-N 0 0 441.560 1.411 50 0 IDAARN CN(C)C(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 ZINC000040107245 569488429 /nfs/dbraw/zinc/48/84/29/569488429.db2.gz WCHPDPOMFHCITE-OAHLLOKOSA-N 0 0 427.471 1.549 50 0 IDAARN CN(C)C(=O)CN1CCN(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 ZINC000040107246 569488441 /nfs/dbraw/zinc/48/84/41/569488441.db2.gz WCHPDPOMFHCITE-HNNXBMFYSA-N 0 0 427.471 1.549 50 0 IDAARN O=C(COc1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000040106954 569488447 /nfs/dbraw/zinc/48/84/47/569488447.db2.gz VLJCJPFUUMXPIM-UHFFFAOYSA-N 0 0 425.413 1.103 50 0 IDAARN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)n1 ZINC000040107531 569488501 /nfs/dbraw/zinc/48/85/01/569488501.db2.gz IRJZIHVRINPGEW-QUCCMNQESA-N 0 0 444.557 1.183 50 0 IDAARN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)n1 ZINC000040107530 569488508 /nfs/dbraw/zinc/48/85/08/569488508.db2.gz IRJZIHVRINPGEW-AZUAARDMSA-N 0 0 444.557 1.183 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1C ZINC000008940965 569488523 /nfs/dbraw/zinc/48/85/23/569488523.db2.gz CKUZJEDIAINSQP-UHFFFAOYSA-N 0 0 433.574 1.785 50 0 IDAARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000040108725 569488580 /nfs/dbraw/zinc/48/85/80/569488580.db2.gz KBSXKCBNHZPDQW-UHFFFAOYSA-N 0 0 446.573 1.724 50 0 IDAARN Nn1c(Cc2ccccc2F)nnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008944410 569488940 /nfs/dbraw/zinc/48/89/40/569488940.db2.gz JVUJGXVHLOJZSS-UHFFFAOYSA-N 0 0 444.448 1.891 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc4ccccc4c3)c2c1 ZINC000008944854 569488968 /nfs/dbraw/zinc/48/89/68/569488968.db2.gz AVEWNSHPSKJEIZ-UHFFFAOYSA-N 0 0 425.470 1.902 50 0 IDAARN CCC[C@@]1(C)NC(=O)N(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000040114093 569489032 /nfs/dbraw/zinc/48/90/32/569489032.db2.gz LUNVUXVYUMYLOA-LJQANCHMSA-N 0 0 425.507 1.197 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCn3nc(-c4cccs4)ccc3=O)ccc21 ZINC000008954964 569490076 /nfs/dbraw/zinc/49/00/76/569490076.db2.gz ULSSOVRLTYUVCZ-UHFFFAOYSA-N 0 0 444.538 1.859 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000040142358 569491838 /nfs/dbraw/zinc/49/18/38/569491838.db2.gz LLNYKGYXOYOOOF-UHFFFAOYSA-N 0 0 430.480 1.041 50 0 IDAARN C[C@H]1CN(Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@H](C)O1 ZINC000040142422 569491918 /nfs/dbraw/zinc/49/19/18/569491918.db2.gz ISANZPJVBRNCNT-GJZGRUSLSA-N 0 0 437.500 1.161 50 0 IDAARN CC(C)c1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000040145416 569492063 /nfs/dbraw/zinc/49/20/63/569492063.db2.gz XURSNCAYEFDFAW-OAHLLOKOSA-N 0 0 449.529 1.802 50 0 IDAARN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000040149885 569492657 /nfs/dbraw/zinc/49/26/57/569492657.db2.gz VBEOOUKZSVCMBD-UHFFFAOYSA-N 0 0 443.997 1.888 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000008971166 569492758 /nfs/dbraw/zinc/49/27/58/569492758.db2.gz JAQOPFGIABGLHP-KKVAFCGZSA-N 0 0 446.523 1.433 50 0 IDAARN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@@H](C)O1 ZINC000040152621 569493501 /nfs/dbraw/zinc/49/35/01/569493501.db2.gz QZOFNGQBTSZMJX-CHWSQXEVSA-N 0 0 443.522 1.888 50 0 IDAARN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000040154033 569493657 /nfs/dbraw/zinc/49/36/57/569493657.db2.gz CKZFFLHMZCFFNG-OAHLLOKOSA-N 0 0 447.026 1.457 50 0 IDAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000040154292 569493781 /nfs/dbraw/zinc/49/37/81/569493781.db2.gz FCPGTYGLNWQLEO-QLFBSQMISA-N 0 0 443.591 1.681 50 0 IDAARN CCCN(CC(=O)N(C)C)CC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)NC(=O)N1 ZINC000040157235 569494239 /nfs/dbraw/zinc/49/42/39/569494239.db2.gz QEKBKFMJXMVVTC-FQEVSTJZSA-N 0 0 432.521 1.667 50 0 IDAARN CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1ccc(Cl)s1 ZINC000008982369 569494529 /nfs/dbraw/zinc/49/45/29/569494529.db2.gz GJQUJJSNMNUKJL-UHFFFAOYSA-N 0 0 447.948 1.977 50 0 IDAARN COCCCNC(=O)COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n1CCCOC ZINC000040158776 569494567 /nfs/dbraw/zinc/49/45/67/569494567.db2.gz HIWMKOICHYERTI-UHFFFAOYSA-N 0 0 444.488 1.304 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(NC(N)=O)cc3)CC2)cc1 ZINC000040158388 569494576 /nfs/dbraw/zinc/49/45/76/569494576.db2.gz HVRCUOAERFDIAE-UHFFFAOYSA-N 0 0 438.531 1.181 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1cn2ccccc2n1 ZINC000040161017 569495114 /nfs/dbraw/zinc/49/51/14/569495114.db2.gz YXSDJPYFKXDOHH-UHFFFAOYSA-N 0 0 430.486 1.480 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(C(=O)N3CCCCCC3)CC1)C2=O ZINC000008993839 569495476 /nfs/dbraw/zinc/49/54/76/569495476.db2.gz UVEBHKMUODQUAU-UHFFFAOYSA-N 0 0 447.580 1.633 50 0 IDAARN CC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1 ZINC000009001104 569495963 /nfs/dbraw/zinc/49/59/63/569495963.db2.gz MGDMDSMDQHJWAI-UHFFFAOYSA-N 0 0 429.436 1.843 50 0 IDAARN COc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)c(OC)c1 ZINC000009001354 569495987 /nfs/dbraw/zinc/49/59/87/569495987.db2.gz ALLXHMWBTCHADX-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)c1 ZINC000009001388 569496000 /nfs/dbraw/zinc/49/60/00/569496000.db2.gz KZQZZZUWXYVHDB-UHFFFAOYSA-N 0 0 444.451 1.599 50 0 IDAARN Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)n(-c2nc(C(C)C)cc(=O)[nH]2)n1 ZINC000009038489 569497422 /nfs/dbraw/zinc/49/74/22/569497422.db2.gz OFCYOYAUHZNWEX-UHFFFAOYSA-N 0 0 438.444 1.783 50 0 IDAARN COc1cc(NC(=O)C(=O)NCCc2ccccc2)ccc1N1CCCCS1(=O)=O ZINC000040267789 569497434 /nfs/dbraw/zinc/49/74/34/569497434.db2.gz IYWHOFMLWBQQTQ-UHFFFAOYSA-N 0 0 431.514 1.923 50 0 IDAARN COc1ccc(CCNC(=O)c2nc(COc3ccccc3C(N)=O)no2)cc1OC ZINC000040284450 569497913 /nfs/dbraw/zinc/49/79/13/569497913.db2.gz LKHLRPLZNVWDHN-UHFFFAOYSA-N 0 0 426.429 1.737 50 0 IDAARN COCCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000040286954 569498161 /nfs/dbraw/zinc/49/81/61/569498161.db2.gz ZKLDTXOYVZWTGM-RTWAWAEBSA-N 0 0 425.485 1.485 50 0 IDAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000009048327 569498504 /nfs/dbraw/zinc/49/85/04/569498504.db2.gz OOXIDLCDIOGFCJ-SFHVURJKSA-N 0 0 432.498 1.206 50 0 IDAARN COc1ccc2c(C)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 ZINC000009058631 569499281 /nfs/dbraw/zinc/49/92/81/569499281.db2.gz IWBVSROIZGTVEL-UHFFFAOYSA-N 0 0 430.482 1.659 50 0 IDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ccncc1 ZINC000009061104 569499554 /nfs/dbraw/zinc/49/95/54/569499554.db2.gz DXYQTHMBFDPHGN-GJZGRUSLSA-N 0 0 434.493 1.765 50 0 IDAARN COc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C(=O)N2CCOCC2)c1 ZINC000245281456 569502178 /nfs/dbraw/zinc/50/21/78/569502178.db2.gz ZQPABCFGDNXNAO-NHCUHLMSSA-N 0 0 430.526 1.958 50 0 IDAARN COc1cccc(-c2nnc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)n2C)c1 ZINC000009120565 569503890 /nfs/dbraw/zinc/50/38/90/569503890.db2.gz PDJCHWQHEMYJDL-UHFFFAOYSA-N 0 0 440.485 1.419 50 0 IDAARN COc1ccc2c(CC(=O)OCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)coc2c1 ZINC000009127908 569505307 /nfs/dbraw/zinc/50/53/07/569505307.db2.gz ARKDIVKPEHFJOF-UHFFFAOYSA-N 0 0 443.456 1.509 50 0 IDAARN CC(C)(C)c1nc(CS(=O)(=O)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)no1 ZINC000069420854 569506201 /nfs/dbraw/zinc/50/62/01/569506201.db2.gz GXQJELRZOZWKFT-UHFFFAOYSA-N 0 0 443.547 1.503 50 0 IDAARN O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 ZINC000069454243 569506643 /nfs/dbraw/zinc/50/66/43/569506643.db2.gz YFMMESKTQRGIOE-UHFFFAOYSA-N 0 0 429.477 1.790 50 0 IDAARN COc1ccc(CNC(=O)Cn2cnc3c(nnn3Cc3cccc(OC)c3)c2=O)cc1 ZINC000040478154 569506750 /nfs/dbraw/zinc/50/67/50/569506750.db2.gz OVHFTDOKMYAPEH-UHFFFAOYSA-N 0 0 434.456 1.370 50 0 IDAARN CN1C(C(=O)N2CCOCC2)=C(OC(=O)c2ccccn2)c2ccccc2S1(=O)=O ZINC000009134631 569507040 /nfs/dbraw/zinc/50/70/40/569507040.db2.gz CGOWWTJMBUURHO-UHFFFAOYSA-N 0 0 429.454 1.100 50 0 IDAARN COc1ccc2c(C)c(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1OC ZINC000009134582 569507057 /nfs/dbraw/zinc/50/70/57/569507057.db2.gz METGWIPGTXJPMQ-UHFFFAOYSA-N 0 0 432.454 1.947 50 0 IDAARN CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000009155983 569508314 /nfs/dbraw/zinc/50/83/14/569508314.db2.gz DGBSTIBFPBBNSC-KRWDZBQOSA-N 0 0 431.452 1.881 50 0 IDAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000009155982 569508328 /nfs/dbraw/zinc/50/83/28/569508328.db2.gz DGBSTIBFPBBNSC-QGZVFWFLSA-N 0 0 431.452 1.881 50 0 IDAARN Cn1c(N)c(C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)c(=O)n(C)c1=O ZINC000009170193 569509321 /nfs/dbraw/zinc/50/93/21/569509321.db2.gz RABLGDYIFBJSEW-UHFFFAOYSA-N 0 0 425.392 1.603 50 0 IDAARN CCn1c(=O)c(C(=O)CSc2nnc3ccccn32)c(N)n(Cc2ccccc2)c1=O ZINC000009170855 569509420 /nfs/dbraw/zinc/50/94/20/569509420.db2.gz WCGCWKULFGVWTM-UHFFFAOYSA-N 0 0 436.497 1.678 50 0 IDAARN CCN(C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009180536 569509798 /nfs/dbraw/zinc/50/97/98/569509798.db2.gz MMUOWOXQUKAQBP-IBGZPJMESA-N 0 0 431.510 1.501 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)N1CCCC1 ZINC000009191847 569510699 /nfs/dbraw/zinc/51/06/99/569510699.db2.gz IAYOJNLDOZDJMP-UHFFFAOYSA-N 0 0 444.513 1.922 50 0 IDAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000009222783 569512818 /nfs/dbraw/zinc/51/28/18/569512818.db2.gz GWWNWTSMEOGWBH-INIZCTEOSA-N 0 0 435.546 1.746 50 0 IDAARN COc1cccc(CNC(=O)C[C@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)c1 ZINC000009223146 569512890 /nfs/dbraw/zinc/51/28/90/569512890.db2.gz VRVNUNWXBZTQOF-GOSISDBHSA-N 0 0 448.479 1.346 50 0 IDAARN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009223295 569512912 /nfs/dbraw/zinc/51/29/12/569512912.db2.gz DKINLLMMHIEQKZ-UHFFFAOYSA-N 0 0 431.514 1.960 50 0 IDAARN NC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCCCc1ccccc1 ZINC000009244918 569515185 /nfs/dbraw/zinc/51/51/85/569515185.db2.gz JYKHCNBFZGWLDD-SFHVURJKSA-N 0 0 445.903 1.606 50 0 IDAARN CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009244883 569515224 /nfs/dbraw/zinc/51/52/24/569515224.db2.gz PWCKORRMGYEOLA-UHFFFAOYSA-N 0 0 430.530 1.856 50 0 IDAARN CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@]3(CCOc4ccccc43)C1=O)OCO2 ZINC000009245602 569515408 /nfs/dbraw/zinc/51/54/08/569515408.db2.gz QZNYQSWXGVDZAB-QFIPXVFZSA-N 0 0 437.408 1.786 50 0 IDAARN CCOc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCC)n3C)ccc1OCC(N)=O ZINC000009249848 569515533 /nfs/dbraw/zinc/51/55/33/569515533.db2.gz RDRLOZGVQPIAAC-LBPRGKRZSA-N 0 0 432.502 1.629 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)CNc2ccc(I)cc2)cc1 ZINC000009255273 569516536 /nfs/dbraw/zinc/51/65/36/569516536.db2.gz WBECPXVUMDWUHY-UHFFFAOYSA-N 0 0 431.255 1.989 50 0 IDAARN Cn1c2ccc(Br)cc2c2nnc(SCC(=O)Nc3nonc3N)nc21 ZINC000009261908 569517012 /nfs/dbraw/zinc/51/70/12/569517012.db2.gz BZAATRLILUDDKC-UHFFFAOYSA-N 0 0 435.267 1.975 50 0 IDAARN Cn1nc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c2ccccc2c1=O ZINC000009283122 569518782 /nfs/dbraw/zinc/51/87/82/569518782.db2.gz SJLLNQWNBVLCKV-UHFFFAOYSA-N 0 0 426.454 1.378 50 0 IDAARN Cc1ccccc1Nc1nc(N)nc(COn2nnc3ccc(S(C)(=O)=O)cc32)n1 ZINC000009285757 569519183 /nfs/dbraw/zinc/51/91/83/569519183.db2.gz NMNXVQNVVKOVQV-UHFFFAOYSA-N 0 0 426.462 1.283 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000009315399 569522103 /nfs/dbraw/zinc/52/21/03/569522103.db2.gz VJYUWJRDNITVNZ-UHFFFAOYSA-N 0 0 438.527 1.593 50 0 IDAARN COc1cccc([C@]2(C)NC(=O)N(NC(=S)NCc3ccc4c(c3)OCO4)C2=O)c1 ZINC000009315437 569522134 /nfs/dbraw/zinc/52/21/34/569522134.db2.gz IGSOOKSNIGYOBX-FQEVSTJZSA-N 0 0 428.470 1.770 50 0 IDAARN COC(=O)N1CCc2c(sc(NC(=O)c3ccccc3S(C)(=O)=O)c2C(N)=O)C1 ZINC000009325355 569522674 /nfs/dbraw/zinc/52/26/74/569522674.db2.gz JSXXOKHGBFOOBH-UHFFFAOYSA-N 0 0 437.499 1.627 50 0 IDAARN O=C(NCc1ccccc1OC(F)(F)F)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000009336819 569523457 /nfs/dbraw/zinc/52/34/57/569523457.db2.gz QYXOGMQLFJDGPF-LBPRGKRZSA-N 0 0 433.408 1.367 50 0 IDAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000009337027 569523498 /nfs/dbraw/zinc/52/34/98/569523498.db2.gz XBJGVZYBCXUIMR-NRFANRHFSA-N 0 0 435.480 1.938 50 0 IDAARN O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009340854 569523843 /nfs/dbraw/zinc/52/38/43/569523843.db2.gz UONONOUPAHREQI-KRWDZBQOSA-N 0 0 442.541 1.926 50 0 IDAARN O=C(Cn1c(=O)onc1-c1ncccn1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000069920876 569523889 /nfs/dbraw/zinc/52/38/89/569523889.db2.gz OFFZPATVAXUEGI-UHFFFAOYSA-N 0 0 430.424 1.862 50 0 IDAARN COC(=O)c1cnc(N(C)Cc2cccc(OC)c2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000069920712 569523894 /nfs/dbraw/zinc/52/38/94/569523894.db2.gz PGSNSCWRKMNHDB-UHFFFAOYSA-N 0 0 435.502 1.534 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)Nc3ccncc3)C2)cc1 ZINC000009344591 569524029 /nfs/dbraw/zinc/52/40/29/569524029.db2.gz GFZDYYITHCLYJV-INIZCTEOSA-N 0 0 446.529 1.636 50 0 IDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000009350336 569524815 /nfs/dbraw/zinc/52/48/15/569524815.db2.gz QEBNTCRCPAUUMT-LBPRGKRZSA-N 0 0 446.451 1.207 50 0 IDAARN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NCC(=O)NCC(F)(F)F)c(C)c1C ZINC000069949152 569525168 /nfs/dbraw/zinc/52/51/68/569525168.db2.gz AKRYYINVPRRNNC-UHFFFAOYSA-N 0 0 437.484 1.692 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000009355063 569525209 /nfs/dbraw/zinc/52/52/09/569525209.db2.gz OBWLSZXYCQGPTR-KHVWPYCOSA-N 0 0 449.488 1.922 50 0 IDAARN Cn1c2ncn(CC(=O)N3CCc4sccc4[C@H]3c3cccs3)c2c(=O)n(C)c1=O ZINC000009366865 569526321 /nfs/dbraw/zinc/52/63/21/569526321.db2.gz IMVKZTDVJVLYEG-INIZCTEOSA-N 0 0 441.538 1.731 50 0 IDAARN Cc1nc2sccn2c1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009373072 569526999 /nfs/dbraw/zinc/52/69/99/569526999.db2.gz PIWPGQBTZKJZIP-UHFFFAOYSA-N 0 0 434.499 1.547 50 0 IDAARN Nn1c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccco1 ZINC000009376203 569527313 /nfs/dbraw/zinc/52/73/13/569527313.db2.gz PHNCZPWOVJTZMX-UHFFFAOYSA-N 0 0 426.380 1.516 50 0 IDAARN CCn1nnnc1SCC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009376288 569527316 /nfs/dbraw/zinc/52/73/16/569527316.db2.gz FQYYVPCQFARRKB-UHFFFAOYSA-N 0 0 437.485 1.312 50 0 IDAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009376731 569527401 /nfs/dbraw/zinc/52/74/01/569527401.db2.gz XZOKHUWOWPQPTJ-LBPRGKRZSA-N 0 0 438.531 1.586 50 0 IDAARN COc1ccc(-c2nc(SCC(=O)N3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000009382386 569528309 /nfs/dbraw/zinc/52/83/09/569528309.db2.gz RCNQHMNLALVRAL-UHFFFAOYSA-N 0 0 441.513 1.417 50 0 IDAARN CCCN(C(=O)[C@H](C)NC(=O)c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009390494 569528690 /nfs/dbraw/zinc/52/86/90/569528690.db2.gz NCESBXWVZINXOH-AWEZNQCLSA-N 0 0 439.472 1.322 50 0 IDAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000009394855 569529164 /nfs/dbraw/zinc/52/91/64/569529164.db2.gz JKNOEPZISAFMOO-INIZCTEOSA-N 0 0 447.513 1.596 50 0 IDAARN Cn1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)cc2n(C)c(=O)c1=O ZINC000009407901 569530386 /nfs/dbraw/zinc/53/03/86/569530386.db2.gz YYBBXPCPQPZEBA-UHFFFAOYSA-N 0 0 449.916 1.371 50 0 IDAARN CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 ZINC000009407881 569530401 /nfs/dbraw/zinc/53/04/01/569530401.db2.gz 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IDAARN CCOCCN1N=C(c2ccccc2)Cn2c1nc1c2c(=O)n(CCOCC)c(=O)n1C ZINC000009707538 569561560 /nfs/dbraw/zinc/56/15/60/569561560.db2.gz XSQHPHCGMBHACO-UHFFFAOYSA-N 0 0 440.504 1.194 50 0 IDAARN CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)CC1 ZINC000009708308 569561884 /nfs/dbraw/zinc/56/18/84/569561884.db2.gz PSXZGHFUCFXPEE-IBGZPJMESA-N 0 0 426.542 1.659 50 0 IDAARN COc1ccccc1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000009710852 569561996 /nfs/dbraw/zinc/56/19/96/569561996.db2.gz NVYJLWKWOMVLTI-UHFFFAOYSA-N 0 0 425.532 1.777 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CC(N)=O)c(=O)n3C)n1-c1ccc(Oc2ccccc2)cc1 ZINC000009713050 569562411 /nfs/dbraw/zinc/56/24/11/569562411.db2.gz MTEOEGOMVDMNFS-UHFFFAOYSA-N 0 0 444.451 1.725 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n(Cc4ccc(OC)cc4)c(C)c(C)n32)n(C)c1=O ZINC000009713025 569562418 /nfs/dbraw/zinc/56/24/18/569562418.db2.gz IBTYLDZZCPHNOW-UHFFFAOYSA-N 0 0 439.472 1.386 50 0 IDAARN Cc1cc(C)cc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1 ZINC000009713259 569562560 /nfs/dbraw/zinc/56/25/60/569562560.db2.gz KOOPKNDKEPCWOX-UHFFFAOYSA-N 0 0 442.479 1.908 50 0 IDAARN Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccc(F)cc3)c2c(=O)n(CC(N)=O)c1=O ZINC000009713364 569562578 /nfs/dbraw/zinc/56/25/78/569562578.db2.gz XNDCZCCKSQHIME-UHFFFAOYSA-N 0 0 432.415 1.430 50 0 IDAARN CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000009722834 569563504 /nfs/dbraw/zinc/56/35/04/569563504.db2.gz NWQBJOSBIXNNOF-UHFFFAOYSA-N 0 0 438.303 1.825 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(F)c2)[C@@H](C)O)cc1 ZINC000009724089 569563669 /nfs/dbraw/zinc/56/36/69/569563669.db2.gz UGQDLTBVYMXFRK-AUUYWEPGSA-N 0 0 438.477 1.652 50 0 IDAARN Cn1cc(C(=O)N2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009724545 569563689 /nfs/dbraw/zinc/56/36/89/569563689.db2.gz DXLRKWPETHHYHO-UHFFFAOYSA-N 0 0 433.530 1.576 50 0 IDAARN Cn1cc(C(=O)NC[C@H]2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009724504 569563707 /nfs/dbraw/zinc/56/37/07/569563707.db2.gz 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COc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000009806093 569568796 /nfs/dbraw/zinc/56/87/96/569568796.db2.gz RGRFKXMYZLQLRA-QGZVFWFLSA-N 0 0 431.514 1.281 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000009806088 569568806 /nfs/dbraw/zinc/56/88/06/569568806.db2.gz RGRFKXMYZLQLRA-KRWDZBQOSA-N 0 0 431.514 1.281 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000009806608 569568948 /nfs/dbraw/zinc/56/89/48/569568948.db2.gz IJHBXBZFPVARJG-KRWDZBQOSA-N 0 0 449.504 1.420 50 0 IDAARN COc1ccc(NC(=O)Cn2ccn(-c3ccc(OC)c(OC)c3)c(=O)c2=O)cc1OC ZINC000009808704 569569026 /nfs/dbraw/zinc/56/90/26/569569026.db2.gz HFBHGPHZJISTRG-UHFFFAOYSA-N 0 0 441.440 1.672 50 0 IDAARN O=C(Cn1ccn(-c2ccc3c(c2)OCCO3)c(=O)c1=O)NCc1ccccc1Cl ZINC000009808656 569569041 /nfs/dbraw/zinc/56/90/41/569569041.db2.gz WRBQDIOJHUYFNU-UHFFFAOYSA-N 0 0 427.844 1.740 50 0 IDAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000009816413 569569288 /nfs/dbraw/zinc/56/92/88/569569288.db2.gz CLJJKTZGNRNHHA-UHFFFAOYSA-N 0 0 448.497 1.886 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(C(=O)Nc3ccccc3)CC1)C2=O ZINC000009818987 569569336 /nfs/dbraw/zinc/56/93/36/569569336.db2.gz QWVHJKDALOUQIB-UHFFFAOYSA-N 0 0 441.532 1.869 50 0 IDAARN CCOC(=O)C1CCN(C(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(F)cc2)c3=O)CC1 ZINC000009820508 569569392 /nfs/dbraw/zinc/56/93/92/569569392.db2.gz SJBJPUCAXLMRBI-UHFFFAOYSA-N 0 0 442.447 1.572 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)c1 ZINC000009822623 569569595 /nfs/dbraw/zinc/56/95/95/569569595.db2.gz FQLKIAKKHWKZML-CQSZACIVSA-N 0 0 448.483 1.753 50 0 IDAARN COCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009827552 569569674 /nfs/dbraw/zinc/56/96/74/569569674.db2.gz GJUDUUQLJRMZRK-UHFFFAOYSA-N 0 0 446.451 1.888 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)OCc2ccccc2)c(=O)n3C)n1Cc1ccco1 ZINC000009829459 569570050 /nfs/dbraw/zinc/57/00/50/569570050.db2.gz WCCNEPUTLZRVEV-UHFFFAOYSA-N 0 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ZINC000071280290 569573603 /nfs/dbraw/zinc/57/36/03/569573603.db2.gz VRYUGMANIITXTK-UHFFFAOYSA-N 0 0 433.848 1.465 50 0 IDAARN O=C(NCCn1ccc2ccc(Cl)cc21)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000071282345 569573663 /nfs/dbraw/zinc/57/36/63/569573663.db2.gz LFRVZSJMZOZSTH-HNNXBMFYSA-N 0 0 436.921 1.576 50 0 IDAARN O=C(NCCn1ccc2ccc(Cl)cc21)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000071282343 569573703 /nfs/dbraw/zinc/57/37/03/569573703.db2.gz LFRVZSJMZOZSTH-OAHLLOKOSA-N 0 0 436.921 1.576 50 0 IDAARN CCn1c2ccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc2[nH]c(=O)c1=O ZINC000009949010 569574207 /nfs/dbraw/zinc/57/42/07/569574207.db2.gz CICYSKBGUYOFLC-UHFFFAOYSA-N 0 0 426.517 1.965 50 0 IDAARN Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009952426 569574583 /nfs/dbraw/zinc/57/45/83/569574583.db2.gz NAPBNODFUIMMLA-LSDHHAIUSA-N 0 0 439.563 1.605 50 0 IDAARN CC(C)[C@@H](OC(=O)c1ccccc1S[C@H](C(=O)NC(N)=O)C(C)C)C(=O)NC(N)=O ZINC000009963309 569575720 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429.864 1.723 50 0 IDAARN CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccc3c(c1)OCO3)CS(=O)(=O)C2 ZINC000010250660 569579814 /nfs/dbraw/zinc/57/98/14/569579814.db2.gz UZHJCXKDPHMFIJ-UHFFFAOYSA-N 0 0 434.474 1.050 50 0 IDAARN Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccccc3F)c2c(=O)n(CC(N)=O)c1=O ZINC000010271940 569580116 /nfs/dbraw/zinc/58/01/16/569580116.db2.gz FFISYQGXUHPJQL-UHFFFAOYSA-N 0 0 432.415 1.430 50 0 IDAARN CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)CC1 ZINC000010273925 569580295 /nfs/dbraw/zinc/58/02/95/569580295.db2.gz UNZRPOMYFVXMCT-UHFFFAOYSA-N 0 0 446.573 1.836 50 0 IDAARN COC(=O)C1=C(CS(=O)(=O)c2cccs2)NC(=O)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000010273640 569580315 /nfs/dbraw/zinc/58/03/15/569580315.db2.gz MWTZVGXHMXYICS-MRXNPFEDSA-N 0 0 438.483 1.717 50 0 IDAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000010300119 569580656 /nfs/dbraw/zinc/58/06/56/569580656.db2.gz NGSDOEMVJLXJQU-UHFFFAOYSA-N 0 0 447.561 1.494 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1nc2ccccc2s1 ZINC000032104557 569583547 /nfs/dbraw/zinc/58/35/47/569583547.db2.gz RMOGOXLWLPQONR-HNNXBMFYSA-N 0 0 430.511 1.814 50 0 IDAARN COC(=O)c1nc(NC(=O)Cn2nnc3ccccc3c2=O)sc1CCc1ccccc1 ZINC000072402613 569583763 /nfs/dbraw/zinc/58/37/63/569583763.db2.gz IKHWYYCQLRGISV-UHFFFAOYSA-N 0 0 449.492 2.459 50 0 IDAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)nc1C ZINC000071335631 569584353 /nfs/dbraw/zinc/58/43/53/569584353.db2.gz ZMLOXRYULGWWRN-OAHLLOKOSA-N 0 0 445.545 2.487 50 0 IDAARN Cn1nnn(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1=O ZINC000077100081 569585305 /nfs/dbraw/zinc/58/53/05/569585305.db2.gz OPCAMILCIXFTEB-UHFFFAOYSA-N 0 0 442.501 1.393 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c1=O)NC1CC1 ZINC000077100246 569585384 /nfs/dbraw/zinc/58/53/84/569585384.db2.gz KHNMZEAEXKLTTF-OUKQBFOZSA-N 0 0 440.485 1.120 50 0 IDAARN COc1ccc(CCNC(=O)Cn2nc3cc(-c4nc(C)no4)ccn3c2=O)cc1OC ZINC000077100872 569585455 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CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)ccc21 ZINC000012865669 519631099 /nfs/dbraw/zinc/63/10/99/519631099.db2.gz XJRIYAWWGJOZMI-ZDUSSCGKSA-N 0 0 443.481 1.208 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCc1ccccn1 ZINC000021022699 519639292 /nfs/dbraw/zinc/63/92/92/519639292.db2.gz AOQFTDBZJOXUEH-NRFANRHFSA-N 0 0 442.541 1.850 50 0 IDAARN CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCc3ccc(F)cc3)cc2C(=O)N1C ZINC000021875760 519659943 /nfs/dbraw/zinc/65/99/43/519659943.db2.gz ADYFDBUGWSZSNW-JOCHJYFZSA-N 0 0 429.496 1.959 50 0 IDAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccccc1C ZINC000012661625 519691408 /nfs/dbraw/zinc/69/14/08/519691408.db2.gz KJHQVFWBNCVROC-PFAUGDHASA-N 0 0 437.445 1.030 50 0 biogenic IDAARN CC(C)CN(Cn1nc(CCC(N)=O)n(CC(C)C)c1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000022315568 519719203 /nfs/dbraw/zinc/71/92/03/519719203.db2.gz UPNBKCSYXQCOFI-OAHLLOKOSA-N 0 0 431.628 1.591 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012910742 519730030 /nfs/dbraw/zinc/73/00/30/519730030.db2.gz ZQWXGUKJJUYMLU-CQSZACIVSA-N 0 0 439.534 1.646 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc1 ZINC000020862117 519730881 /nfs/dbraw/zinc/73/08/81/519730881.db2.gz CNQXVRCTAZGHER-UHFFFAOYSA-N 0 0 437.518 1.473 50 0 IDAARN CC(C)CNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012543059 519737224 /nfs/dbraw/zinc/73/72/24/519737224.db2.gz RYIVRDNDJVFNJI-UHFFFAOYSA-N 0 0 443.497 1.251 50 0 IDAARN CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1 ZINC000021277427 519742285 /nfs/dbraw/zinc/74/22/85/519742285.db2.gz DZNMCMRAGMSCBE-UHFFFAOYSA-N 0 0 447.513 1.533 50 0 IDAARN CC(C)Oc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000012164884 519778775 /nfs/dbraw/zinc/77/87/75/519778775.db2.gz JKHAOKUKWVZMAB-UHFFFAOYSA-N 0 0 447.561 1.536 50 0 IDAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCN(C)CC1 ZINC000020546398 519819803 /nfs/dbraw/zinc/81/98/03/519819803.db2.gz RZSZIJUUEITTRM-NJNPRVFISA-N 0 0 444.601 1.950 50 0 IDAARN CC(C)c1ccc(NC(=O)[C@@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000012793176 519837563 /nfs/dbraw/zinc/83/75/63/519837563.db2.gz RIEOPNZANRDRLD-PBHICJAKSA-N 0 0 449.529 1.846 50 0 IDAARN CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 ZINC000033040288 519886981 /nfs/dbraw/zinc/88/69/81/519886981.db2.gz IPMHZZSVFVTZJV-HNNXBMFYSA-N 0 0 426.539 1.830 50 0 IDAARN CCOCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1)N(C)C2=O ZINC000021876179 519894424 /nfs/dbraw/zinc/89/44/24/519894424.db2.gz YJXDFAGFMBBVEA-JOCHJYFZSA-N 0 0 427.505 1.200 50 0 IDAARN CCOCCCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(F)cc1)N(C)C2=O ZINC000021876691 519894511 /nfs/dbraw/zinc/89/45/11/519894511.db2.gz FSLCMUNAYWXHMQ-QFIPXVFZSA-N 0 0 445.495 1.339 50 0 IDAARN CCN(C(=O)COC(=O)c1c(C)nn(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000009544201 519917641 /nfs/dbraw/zinc/91/76/41/519917641.db2.gz 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CCOC(=O)C1=C(CN2CCC[C@H]2C(=O)NCc2ccco2)NC(=O)N[C@H]1c1ccco1 ZINC000245225011 520512540 /nfs/dbraw/zinc/51/25/40/520512540.db2.gz KKZZSMQOEQDIOB-LPHOPBHVSA-N 0 0 442.472 1.825 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559126 520515232 /nfs/dbraw/zinc/51/52/32/520515232.db2.gz LWUVKDRKCBVURF-GOSISDBHSA-N 0 0 444.513 1.970 50 0 IDAARN CCOC(=O)C1=C(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)NC(=O)NC1 ZINC000015546150 520518194 /nfs/dbraw/zinc/51/81/94/520518194.db2.gz JCONBAKTKNGJOA-IBGZPJMESA-N 0 0 428.489 1.397 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@H]1c1cccs1 ZINC000012722023 520520521 /nfs/dbraw/zinc/52/05/21/520520521.db2.gz CIJIRYDMDZBHEH-INIZCTEOSA-N 0 0 449.510 1.954 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccs2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012751236 520520760 /nfs/dbraw/zinc/52/07/60/520520760.db2.gz PHABMQBCEAATMK-KRWDZBQOSA-N 0 0 447.469 1.794 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@@H]1C 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/nfs/dbraw/zinc/36/60/12/523366012.db2.gz XMVSGMUKSOGMLQ-JOCHJYFZSA-N 0 0 427.505 1.119 50 0 IDAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)N[C@H](C)C(=O)OC)CC3)ccc21 ZINC000021647424 523493110 /nfs/dbraw/zinc/49/31/10/523493110.db2.gz XHUAPMYLXSWCAZ-OAHLLOKOSA-N 0 0 436.534 1.629 50 0 IDAARN COCCCn1c(C(=O)NCCN2CCOCC2)cc2c1nc1c(C)cccn1c2=O ZINC000020547895 523498198 /nfs/dbraw/zinc/49/81/98/523498198.db2.gz RSURLKQRRKXCOI-UHFFFAOYSA-N 0 0 427.505 1.056 50 0 IDAARN CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCCn1nnnc1CN1CCOCC1 ZINC000020775986 523508157 /nfs/dbraw/zinc/50/81/57/523508157.db2.gz AMOZXMFTQVXUOX-UHFFFAOYSA-N 0 0 442.499 1.269 50 0 IDAARN COc1ccc(Br)cc1S(=O)(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000095367801 523508129 /nfs/dbraw/zinc/50/81/29/523508129.db2.gz KGUKNDPKCIGJEV-UHFFFAOYSA-N 0 0 435.340 1.357 50 0 IDAARN COCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016046274 523553787 /nfs/dbraw/zinc/55/37/87/523553787.db2.gz AFMRGWMYNGWDDA-UHFFFAOYSA-N 0 0 430.411 1.739 50 0 IDAARN 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/nfs/dbraw/zinc/73/05/60/523730560.db2.gz QMRGEGTWLFAXOT-QFIPXVFZSA-N 0 0 427.480 1.855 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3cccc(F)c3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021874483 523731352 /nfs/dbraw/zinc/73/13/52/523731352.db2.gz RRPKLDJSNGLCLR-JOCHJYFZSA-N 0 0 427.480 1.855 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3ccco3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876546 523731919 /nfs/dbraw/zinc/73/19/19/523731919.db2.gz QGAZTSFHQIUJFU-JOCHJYFZSA-N 0 0 439.447 1.706 50 0 IDAARN CN1C2=C(C(=O)N(CC(=O)NCc3cccnc3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000035965151 523739294 /nfs/dbraw/zinc/73/92/94/523739294.db2.gz LFCUJORLOGAYMP-LJQANCHMSA-N 0 0 425.876 1.844 50 0 IDAARN CC[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1nnc2ccccc2c1=O ZINC000020547392 523763924 /nfs/dbraw/zinc/76/39/24/523763924.db2.gz HRWXZOIZRWVOIU-LJQANCHMSA-N 0 0 435.484 1.816 50 0 IDAARN CCc1cc(CC)n(-c2nc3c(c(=O)n(CC(C)=O)c(=O)n3C)n2Cc2ccccc2)n1 ZINC000012519233 523787016 /nfs/dbraw/zinc/78/70/16/523787016.db2.gz CTLQZYIHSLBLEE-UHFFFAOYSA-N 0 0 434.500 1.845 50 0 IDAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000035877107 523806705 /nfs/dbraw/zinc/80/67/05/523806705.db2.gz CBFVFKZESBYWGA-BKEDOTJMSA-N 0 0 434.290 1.322 50 0 IDAARN COCCN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000036024488 523807421 /nfs/dbraw/zinc/80/74/21/523807421.db2.gz GQWBLVWVGTXUBS-KRWDZBQOSA-N 0 0 429.970 1.924 50 0 IDAARN CN(C(=O)CSc1nnc(NCCc2cccs2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000012857029 523842403 /nfs/dbraw/zinc/84/24/03/523842403.db2.gz BWFBECFNMCBGQP-NSHDSACASA-N 0 0 432.618 1.992 50 0 IDAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)NCCc3ccccc3OC)S2(=O)=O)cc1 ZINC000035534667 523870568 /nfs/dbraw/zinc/87/05/68/523870568.db2.gz QACRWQMWPKCDBL-UHFFFAOYSA-N 0 0 444.509 1.966 50 0 IDAARN CN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 ZINC000022768374 523876127 /nfs/dbraw/zinc/87/61/27/523876127.db2.gz QTXFXSDNBAQWOF-OAHLLOKOSA-N 0 0 428.493 1.532 50 0 IDAARN CN1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)c2nc3ccccc3nc21 ZINC000022503336 523880513 /nfs/dbraw/zinc/88/05/13/523880513.db2.gz FWPJOJSBVNJVAR-UHFFFAOYSA-N 0 0 431.543 1.880 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(SCC(=O)NCCc3cccs3)nc2)CC1 ZINC000035306313 523914887 /nfs/dbraw/zinc/91/48/87/523914887.db2.gz PSAQUNFBSUTYIU-UHFFFAOYSA-N 0 0 440.616 1.530 50 0 IDAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCOCC4)cc3)c2)CC1 ZINC000035393017 523916766 /nfs/dbraw/zinc/91/67/66/523916766.db2.gz BIRFJXWKQXZQLR-UHFFFAOYSA-N 0 0 444.557 1.712 50 0 IDAARN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000020567851 523929067 /nfs/dbraw/zinc/92/90/67/523929067.db2.gz ZNPLZMPYXCSNBH-UHFFFAOYSA-N 0 0 434.518 1.314 50 0 IDAARN COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2cnn(C)c2C)cc1OC ZINC000020602510 523941709 /nfs/dbraw/zinc/94/17/09/523941709.db2.gz DUFONKLNEPDNQG-UHFFFAOYSA-N 0 0 433.534 1.913 50 0 IDAARN COc1ccc(CCNC(=O)CCc2nnc3n2c2ccsc2c(=O)n3C)cc1OC ZINC000020848471 523956782 /nfs/dbraw/zinc/95/67/82/523956782.db2.gz VZCWUEGFONOIEO-UHFFFAOYSA-N 0 0 441.513 1.951 50 0 IDAARN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(N3CCOCC3)nc2)c1 ZINC000021122206 523959560 /nfs/dbraw/zinc/95/95/60/523959560.db2.gz KNJNOXNBOZFYKM-UHFFFAOYSA-N 0 0 448.545 1.081 50 0 IDAARN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cn3ccccc3n2)c1 ZINC000012669558 523959950 /nfs/dbraw/zinc/95/99/50/523959950.db2.gz JBJOPOZDBLMGBG-UHFFFAOYSA-N 0 0 436.921 1.885 50 0 IDAARN COc1ccc(CCNC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC ZINC000020761216 523962084 /nfs/dbraw/zinc/96/20/84/523962084.db2.gz BXXHJIGUSAKWMX-UHFFFAOYSA-N 0 0 427.457 1.790 50 0 biogenic IDAARN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)c(OC)c1 ZINC000020511837 523967546 /nfs/dbraw/zinc/96/75/46/523967546.db2.gz YTPBBRCGZRDVCM-SFHVURJKSA-N 0 0 439.578 1.805 50 0 IDAARN COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000012137323 523970155 /nfs/dbraw/zinc/97/01/55/523970155.db2.gz VQQXPSRIPIQSIZ-CQSZACIVSA-N 0 0 437.518 1.378 50 0 IDAARN CN1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cc2C(C)(C)C1=O ZINC000020488095 524032494 /nfs/dbraw/zinc/03/24/94/524032494.db2.gz WMDUTAUCXSJWIN-UHFFFAOYSA-N 0 0 448.589 1.115 50 0 IDAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC ZINC000022278078 524032660 /nfs/dbraw/zinc/03/26/60/524032660.db2.gz XAONKDLWXFEQAX-UHFFFAOYSA-N 0 0 434.514 1.982 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cn(C)nc2C)cc1OC ZINC000012584233 524034889 /nfs/dbraw/zinc/03/48/89/524034889.db2.gz ZFFOSSMOWKFQLP-GOSISDBHSA-N 0 0 429.521 1.095 50 0 IDAARN COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000020529434 524047308 /nfs/dbraw/zinc/04/73/08/524047308.db2.gz RCTZQFJXIZVNGS-OAHLLOKOSA-N 0 0 445.541 1.978 50 0 IDAARN COc1ccc(CNC(=O)Cn2c3cccnc3n(Cc3ccncc3)c(=O)c2=O)cc1 ZINC000035450527 524055660 /nfs/dbraw/zinc/05/56/60/524055660.db2.gz DENSJSKZFIYFEE-UHFFFAOYSA-N 0 0 431.452 1.327 50 0 IDAARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000012914872 524062466 /nfs/dbraw/zinc/06/24/66/524062466.db2.gz UOQINDWHEVREES-LLVKDONJSA-N 0 0 426.878 1.858 50 0 IDAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCCC(C)C)N(C)C3=O)cc1 ZINC000021875684 524066065 /nfs/dbraw/zinc/06/60/65/524066065.db2.gz SEMQLOHAUKLCGD-QHCPKHFHSA-N 0 0 441.532 1.828 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)COc3ccccc3F)CC2)s1 ZINC000023141717 524075298 /nfs/dbraw/zinc/07/52/98/524075298.db2.gz ZKVULDUENFNRBZ-UHFFFAOYSA-N 0 0 425.511 1.243 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)s1 ZINC000023141723 524075414 /nfs/dbraw/zinc/07/54/14/524075414.db2.gz IPDSYMHCFGRFKK-UHFFFAOYSA-N 0 0 445.526 1.445 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)s1 ZINC000023141689 524075517 /nfs/dbraw/zinc/07/55/17/524075517.db2.gz DZYDXSSOSQTOBA-UHFFFAOYSA-N 0 0 445.526 1.445 50 0 IDAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4ccc(Cl)cc4)CN3C2=O)cc1 ZINC000014537127 524143104 /nfs/dbraw/zinc/14/31/04/524143104.db2.gz GTUISUAQVPWVAM-WDSOQIARSA-N 0 0 427.888 1.789 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(CCNS(C)(=O)=O)s1)C2=O ZINC000012813050 524181893 /nfs/dbraw/zinc/18/18/93/524181893.db2.gz NSQVMZZEIWPYIX-XIKOKIGWSA-N 0 0 427.548 1.523 50 0 IDAARN COc1ccc(Cn2nnnc2SCC(=O)NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000012798164 524268036 /nfs/dbraw/zinc/26/80/36/524268036.db2.gz WQCDFHDDBCKVDO-QGZVFWFLSA-N 0 0 441.469 1.305 50 0 IDAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CNC(=O)c2ccccc2F)CC1 ZINC000035301061 524272469 /nfs/dbraw/zinc/27/24/69/524272469.db2.gz WMSXKEOOAVOJGJ-UHFFFAOYSA-N 0 0 426.492 1.955 50 0 IDAARN Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022917250 524278261 /nfs/dbraw/zinc/27/82/61/524278261.db2.gz DYADLSXSUNSVLR-UHFFFAOYSA-N 0 0 438.528 1.905 50 0 IDAARN Cc1cccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(F)cc2)c1 ZINC000021528991 524384341 /nfs/dbraw/zinc/38/43/41/524384341.db2.gz MGOPLGWVTGPTTD-QFIPXVFZSA-N 0 0 447.532 1.813 50 0 IDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000011906086 524386222 /nfs/dbraw/zinc/38/62/22/524386222.db2.gz HNRXKRDWPCPJGG-UHFFFAOYSA-N 0 0 428.532 1.931 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)nc3)CC2=O)c(OC)c1 ZINC000012224028 524442790 /nfs/dbraw/zinc/44/27/90/524442790.db2.gz XFUGMJQFFIHMSS-KRWDZBQOSA-N 0 0 440.500 1.605 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614162 524457885 /nfs/dbraw/zinc/45/78/85/524457885.db2.gz IUFIWSRWNFMBGH-SFHVURJKSA-N 0 0 441.484 1.230 50 0 IDAARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2(N3CCOCC3)CCCC2)cc1 ZINC000012387121 524460322 /nfs/dbraw/zinc/46/03/22/524460322.db2.gz PRDGBWBJSGHWGW-OAQYLSRUSA-N 0 0 428.577 1.447 50 0 IDAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021532185 524461180 /nfs/dbraw/zinc/46/11/80/524461180.db2.gz SHSFHKBOGWCHEI-UHFFFAOYSA-N 0 0 431.514 1.907 50 0 IDAARN COc1ccccc1CNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc21 ZINC000020933417 524463050 /nfs/dbraw/zinc/46/30/50/524463050.db2.gz FYRNOWNCZMVXOC-UHFFFAOYSA-N 0 0 447.513 1.424 50 0 IDAARN C[C@H]1CN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)CCN1C ZINC000020599209 524484273 /nfs/dbraw/zinc/48/42/73/524484273.db2.gz KRVIOXVTIXKQKF-DFBJGRDBSA-N 0 0 434.540 1.874 50 0 IDAARN COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1S(=O)(=O)N1CCOCC1 ZINC000012687030 524486600 /nfs/dbraw/zinc/48/66/00/524486600.db2.gz IYYMRTMGNXXWGT-UHFFFAOYSA-N 0 0 436.534 1.638 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1 ZINC000020576942 524491598 /nfs/dbraw/zinc/49/15/98/524491598.db2.gz LWDRSCFCIWZPHE-UHFFFAOYSA-N 0 0 434.499 1.766 50 0 IDAARN COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000020766773 524494617 /nfs/dbraw/zinc/49/46/17/524494617.db2.gz DKWYPXDAEDEOSL-UHFFFAOYSA-N 0 0 442.516 1.907 50 0 IDAARN COc1ccc(NC(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2C)cc1OC ZINC000032946781 524510449 /nfs/dbraw/zinc/51/04/49/524510449.db2.gz SYEUZKUXVXRZMY-UHFFFAOYSA-N 0 0 436.515 1.969 50 0 IDAARN Cc1cccc(N2C(=O)N[C@@](NS(=O)(=O)c3ccc(N)cc3)(C(F)(F)F)C2=O)c1 ZINC000012462781 524533812 /nfs/dbraw/zinc/53/38/12/524533812.db2.gz ALQNJCRWJGXTCV-INIZCTEOSA-N 0 0 428.392 1.871 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000015766677 524547855 /nfs/dbraw/zinc/54/78/55/524547855.db2.gz ZRINXNXWXJMZFQ-UHFFFAOYSA-N 0 0 447.561 1.415 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2Cc2cccc(C)c2)cc1 ZINC000021529126 524554258 /nfs/dbraw/zinc/55/42/58/524554258.db2.gz WKFRHBNLTLVKNH-QHCPKHFHSA-N 0 0 443.569 1.982 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2CCc2cccs2)cc1 ZINC000021529172 524554298 /nfs/dbraw/zinc/55/42/98/524554298.db2.gz BANFSLMESRNVEL-NRFANRHFSA-N 0 0 449.598 1.778 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2cccc(F)c2)cc1 ZINC000021529076 524554499 /nfs/dbraw/zinc/55/44/99/524554499.db2.gz LXNIETOZBAMIOK-NRFANRHFSA-N 0 0 433.505 1.817 50 0 IDAARN Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccccc3C)CC2)c1 ZINC000012445079 524557762 /nfs/dbraw/zinc/55/77/62/524557762.db2.gz ZRADTLYTFPQZKF-UHFFFAOYSA-N 0 0 431.558 1.950 50 0 IDAARN Cc1cc(C)n2c(nnc2SCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000022200868 524563569 /nfs/dbraw/zinc/56/35/69/524563569.db2.gz ISCHHAKUHHWFKE-SFHVURJKSA-N 0 0 426.546 1.850 50 0 IDAARN Cc1cc(C)nc(CNC(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1 ZINC000012057891 524576629 /nfs/dbraw/zinc/57/66/29/524576629.db2.gz COGAWIPNXITQTK-UHFFFAOYSA-N 0 0 447.561 1.673 50 0 IDAARN COc1ccccc1N1C[C@@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000021560910 524579192 /nfs/dbraw/zinc/57/91/92/524579192.db2.gz UNGBADRRAZUBAM-HNNXBMFYSA-N 0 0 428.489 1.419 50 0 IDAARN Cc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)c1 ZINC000021928299 524589173 /nfs/dbraw/zinc/58/91/73/524589173.db2.gz YUCJRWHCDSHMDG-UHFFFAOYSA-N 0 0 443.525 1.934 50 0 IDAARN COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2 ZINC000035452927 524591578 /nfs/dbraw/zinc/59/15/78/524591578.db2.gz IEVROVIGKAULSI-CYBMUJFWSA-N 0 0 433.486 1.982 50 0 IDAARN COc1ccccc1NC(=O)COc1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1OC 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C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCN1C(=O)c3ccccc3C1=O)C2=O ZINC000021868849 524975004 /nfs/dbraw/zinc/97/50/04/524975004.db2.gz VVLIJCRJZPBREI-MCMMXHMISA-N 0 0 427.457 1.920 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)N3CCc4ccccc4C3)CC2=O)cc1 ZINC000017041983 524980283 /nfs/dbraw/zinc/98/02/83/524980283.db2.gz ANNPQWBUOWFELV-FQEVSTJZSA-N 0 0 441.553 1.852 50 0 IDAARN Cc1cc(F)ccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021870005 524982457 /nfs/dbraw/zinc/98/24/57/524982457.db2.gz RJPMAYQOAJWVFA-HXUWFJFHSA-N 0 0 425.526 1.950 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012905306 525021370 /nfs/dbraw/zinc/02/13/70/525021370.db2.gz YMYTZVZMQRQIMZ-UHFFFAOYSA-N 0 0 428.507 1.966 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1OC ZINC000035432600 525023760 /nfs/dbraw/zinc/02/37/60/525023760.db2.gz FBTCOMNYPNDMES-UHFFFAOYSA-N 0 0 447.488 1.943 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3cccc(C)c3)CC2)cc1 ZINC000022732992 525036982 /nfs/dbraw/zinc/03/69/82/525036982.db2.gz FWHNLDQYDOFBBB-UHFFFAOYSA-N 0 0 447.557 1.505 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)c(C)c1C ZINC000035598100 525039450 /nfs/dbraw/zinc/03/94/50/525039450.db2.gz OXCQOZONUORETE-UHFFFAOYSA-N 0 0 428.518 1.799 50 0 IDAARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000023114624 525063768 /nfs/dbraw/zinc/06/37/68/525063768.db2.gz ZSPXIHPYSYFNQX-UHFFFAOYSA-N 0 0 446.467 1.633 50 0 IDAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000012321608 525066139 /nfs/dbraw/zinc/06/61/39/525066139.db2.gz CXOCPUSNSLHGKL-UHFFFAOYSA-N 0 0 431.514 1.478 50 0 IDAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc2)cc1 ZINC000012391606 525066254 /nfs/dbraw/zinc/06/62/54/525066254.db2.gz UAMLWVFEVPOILA-INIZCTEOSA-N 0 0 436.511 1.214 50 0 IDAARN CS(=O)(=O)N1CCC(Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2Cl)CC1 ZINC000012303746 525164981 /nfs/dbraw/zinc/16/49/81/525164981.db2.gz LVHIQRGNUQPGGA-INIZCTEOSA-N 0 0 443.953 1.541 50 0 IDAARN C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccc(F)cc3)cc2)C1=O ZINC000011904922 525166063 /nfs/dbraw/zinc/16/60/63/525166063.db2.gz VVGBQGSMEVNIMJ-CYBMUJFWSA-N 0 0 426.491 1.659 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000035301241 525175526 /nfs/dbraw/zinc/17/55/26/525175526.db2.gz VAJZXJZTYCUXHN-GOSISDBHSA-N 0 0 425.601 1.861 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000012627792 525198384 /nfs/dbraw/zinc/19/83/84/525198384.db2.gz QNNQMGLAXBMZNB-UHFFFAOYSA-N 0 0 441.557 1.384 50 0 IDAARN Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000020923198 525235122 /nfs/dbraw/zinc/23/51/22/525235122.db2.gz BSIPSLBPPGNCJG-UHFFFAOYSA-N 0 0 445.497 1.380 50 0 IDAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)C1=O ZINC000022989978 525237192 /nfs/dbraw/zinc/23/71/92/525237192.db2.gz BPMMPBVXMABRIT-OAQYLSRUSA-N 0 0 443.529 1.768 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1=O ZINC000012569103 525242096 /nfs/dbraw/zinc/24/20/96/525242096.db2.gz QXAOZUFZYVWKFS-OAQYLSRUSA-N 0 0 441.488 1.216 50 0 IDAARN C[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccccc1O ZINC000012660139 525300776 /nfs/dbraw/zinc/30/07/76/525300776.db2.gz LPLHLJDAFSPKOR-LQKVPRFTSA-N 0 0 436.461 1.232 50 0 biogenic IDAARN COc1ccc([C@H](CNC(=O)CN2C(=O)COc3ccccc32)N2CCOCC2)cc1 ZINC000023805954 525355277 /nfs/dbraw/zinc/35/52/77/525355277.db2.gz AUJOSSNBWXCGOZ-FQEVSTJZSA-N 0 0 425.485 1.610 50 0 IDAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCN1C(=O)c3ccccc3C1=O)C2=O ZINC000021868860 525356184 /nfs/dbraw/zinc/35/61/84/525356184.db2.gz VVLIJCRJZPBREI-XMHCIUCPSA-N 0 0 427.457 1.920 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000020727241 525402620 /nfs/dbraw/zinc/40/26/20/525402620.db2.gz ZMXJSHWIVAOJHP-UHFFFAOYSA-N 0 0 426.882 1.064 50 0 IDAARN Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)NCc2ccc(F)cc2)o1 ZINC000035597135 525404460 /nfs/dbraw/zinc/40/44/60/525404460.db2.gz IXNYBZNDKBSWRP-UHFFFAOYSA-N 0 0 433.465 1.098 50 0 IDAARN Cc1cc(S(=O)(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)cc(S(N)(=O)=O)c1C ZINC000008721540 525425822 /nfs/dbraw/zinc/42/58/22/525425822.db2.gz KCRLDMGFLYPZIL-UHFFFAOYSA-N 0 0 432.545 1.048 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1C ZINC000012821188 525495286 /nfs/dbraw/zinc/49/52/86/525495286.db2.gz VSGVMBHXMNVJQJ-OAQYLSRUSA-N 0 0 444.513 1.422 50 0 IDAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCN1C(=O)c3ccccc3C1=O)C2=O ZINC000021868852 525513295 /nfs/dbraw/zinc/51/32/95/525513295.db2.gz VVLIJCRJZPBREI-WHEQGISXSA-N 0 0 427.457 1.920 50 0 IDAARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012802563 525528188 /nfs/dbraw/zinc/52/81/88/525528188.db2.gz LBSQQCWKTMAWMY-PEBXRYMYSA-N 0 0 431.456 1.407 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000012140186 525529875 /nfs/dbraw/zinc/52/98/75/525529875.db2.gz GDWQBVABKVAMPO-LJQANCHMSA-N 0 0 449.504 1.304 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)c(C)c1 ZINC000012747173 525538941 /nfs/dbraw/zinc/53/89/41/525538941.db2.gz WPAKTWOLIQVKPU-UHFFFAOYSA-N 0 0 444.557 1.636 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)s1 ZINC000012768330 525539501 /nfs/dbraw/zinc/53/95/01/525539501.db2.gz YYRNLLYMPAHYEX-CQSZACIVSA-N 0 0 447.538 1.574 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)O[C@H](C)C(=O)N2CCOCC2)C(C)C)cc1C ZINC000012908712 525587051 /nfs/dbraw/zinc/58/70/51/525587051.db2.gz ZHXVOTQWBQYHQA-AEFFLSMTSA-N 0 0 426.535 1.397 50 0 IDAARN Cc1cc2nc(N3CCC(C(=O)N[C@@H]4CS(=O)(=O)C[C@H]4O)CC3)nc(C)c2cc1C ZINC000011973601 525677303 /nfs/dbraw/zinc/67/73/03/525677303.db2.gz AJRMDZWHFFDJKI-RTBURBONSA-N 0 0 432.546 1.046 50 0 IDAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(CC(=O)NCC(C)C)CC1 ZINC000022013053 525766968 /nfs/dbraw/zinc/76/69/68/525766968.db2.gz YMSRVWJQXZIOIO-UHFFFAOYSA-N 0 0 437.972 1.093 50 0 IDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000035404971 525803614 /nfs/dbraw/zinc/80/36/14/525803614.db2.gz XRZQFJFPMHTMJI-UHFFFAOYSA-N 0 0 431.470 1.173 50 0 IDAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccc(F)cc1 ZINC000021528803 525803828 /nfs/dbraw/zinc/80/38/28/525803828.db2.gz KWLQVKSZZNOVKR-NRFANRHFSA-N 0 0 433.505 1.505 50 0 IDAARN Cc1c(N2CCC(C(=O)NCc3cccnc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258752 525822928 /nfs/dbraw/zinc/82/29/28/525822928.db2.gz SNWXVZHKSWLAKU-UHFFFAOYSA-N 0 0 433.512 1.772 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1=O ZINC000012569102 525827255 /nfs/dbraw/zinc/82/72/55/525827255.db2.gz QXAOZUFZYVWKFS-NRFANRHFSA-N 0 0 441.488 1.216 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(Cc3ccncc3)CC2)C1=O ZINC000012543350 525828198 /nfs/dbraw/zinc/82/81/98/525828198.db2.gz NFVLNFNUDFAXBN-DEOSSOPVSA-N 0 0 435.528 1.669 50 0 IDAARN C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc[nH]1 ZINC000012622605 525848666 /nfs/dbraw/zinc/84/86/66/525848666.db2.gz DPIHNOBLJUNDCM-RFAUZJTJSA-N 0 0 435.285 1.775 50 0 IDAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000012568742 525869594 /nfs/dbraw/zinc/86/95/94/525869594.db2.gz HXBPVAYWEYHAIO-PGRDOPGGSA-N 0 0 447.557 1.720 50 0 IDAARN C[C@@H](OC(=O)C1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)NCc1ccc(F)cc1 ZINC000022867944 525885979 /nfs/dbraw/zinc/88/59/79/525885979.db2.gz GGIYYQAUSROBKI-CQSZACIVSA-N 0 0 428.464 1.784 50 0 IDAARN C[C@@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000012813697 525886669 /nfs/dbraw/zinc/88/66/69/525886669.db2.gz QUHNOSBCKUUOQN-DOMZBBRYSA-N 0 0 430.910 1.037 50 0 IDAARN C[C@@H](OC(=O)CNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020883734 525887527 /nfs/dbraw/zinc/88/75/27/525887527.db2.gz DHAJOSCFOVHWHK-GFCCVEGCSA-N 0 0 445.453 1.067 50 0 IDAARN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CCCC1 ZINC000021327094 525890289 /nfs/dbraw/zinc/89/02/89/525890289.db2.gz OUKIDJPAOUCEOU-CYBMUJFWSA-N 0 0 426.491 1.117 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4ncccn4)CC3)c3ncn(C)c(=O)c32)cc1 ZINC000035512061 525925659 /nfs/dbraw/zinc/92/56/59/525925659.db2.gz NFJARIZZUXJZOT-UHFFFAOYSA-N 0 0 430.472 1.180 50 0 IDAARN Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000021149849 525935879 /nfs/dbraw/zinc/93/58/79/525935879.db2.gz IAKPQVGZGLOYJP-UHFFFAOYSA-N 0 0 434.472 1.755 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCCN2CCOCC2)c(=O)n3C)n1-c1ccc(F)cc1 ZINC000022883601 525942726 /nfs/dbraw/zinc/94/27/26/525942726.db2.gz OBGXWIJXFJFSGI-UHFFFAOYSA-N 0 0 440.479 1.308 50 0 IDAARN C[C@@H](Oc1ccccc1)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000012163900 525952290 /nfs/dbraw/zinc/95/22/90/525952290.db2.gz BWYBHGFRYFBPCI-GOSISDBHSA-N 0 0 432.546 1.507 50 0 IDAARN COc1cccc(CNC(=O)Cc2cc(=O)[nH]c(SCC(=O)N3CCOCC3)n2)c1 ZINC000022629453 525976706 /nfs/dbraw/zinc/97/67/06/525976706.db2.gz SBUCSGGJJGDMAZ-UHFFFAOYSA-N 0 0 432.502 1.001 50 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437.254 1.447 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012820195 526304329 /nfs/dbraw/zinc/30/43/29/526304329.db2.gz FRCPCYZJFOXZJW-OAHLLOKOSA-N 0 0 446.533 1.100 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000012891961 526306886 /nfs/dbraw/zinc/30/68/86/526306886.db2.gz CDYLWMFAGLFKAX-RGDDUWESSA-N 0 0 440.953 1.299 50 0 IDAARN O=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000012678460 526320421 /nfs/dbraw/zinc/32/04/21/526320421.db2.gz AJKGXSHYEAMKOY-UHFFFAOYSA-N 0 0 437.949 1.881 50 0 IDAARN O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000065474578 526322120 /nfs/dbraw/zinc/32/21/20/526322120.db2.gz CJJYDZFJFVVZRI-CQSZACIVSA-N 0 0 434.484 1.163 50 0 IDAARN O=C(NCCNC(=O)c1nc(Cn2cc(Br)cn2)no1)c1cccs1 ZINC000015082719 526336524 /nfs/dbraw/zinc/33/65/24/526336524.db2.gz FTNBANZMYKHYLP-UHFFFAOYSA-N 0 0 425.268 1.298 50 0 IDAARN O=C(NCCNS(=O)(=O)c1ccc(Cl)c2nonc21)c1ccc(Br)o1 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50 0 IDAARN O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1cccc(Br)c1 ZINC000012787509 526427681 /nfs/dbraw/zinc/42/76/81/526427681.db2.gz HGAUUVFIPKWMGA-NFAWXSAZSA-N 0 0 430.324 1.795 50 0 IDAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012697046 526433653 /nfs/dbraw/zinc/43/36/53/526433653.db2.gz SZZFIMCHQNAQSH-UHFFFAOYSA-N 0 0 448.545 1.164 50 0 IDAARN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000012408598 526455271 /nfs/dbraw/zinc/45/52/71/526455271.db2.gz NQWMCBKQKSWDAI-LJQANCHMSA-N 0 0 441.528 1.644 50 0 IDAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(CCc2ccccn2)CC1 ZINC000020622887 526469017 /nfs/dbraw/zinc/46/90/17/526469017.db2.gz TTWHOQZWEKVHGH-HXUWFJFHSA-N 0 0 442.585 1.869 50 0 IDAARN Cc1noc(C)c1COc1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000023990026 526523177 /nfs/dbraw/zinc/52/31/77/526523177.db2.gz IAIQALSJGQGBNZ-SFHVURJKSA-N 0 0 433.530 1.815 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C(=O)N2CCOCC2)c2ccccc2)CC1 ZINC000035400009 526550690 /nfs/dbraw/zinc/55/06/90/526550690.db2.gz WRXKAOSSLVYZRD-LJQANCHMSA-N 0 0 448.545 1.198 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000012811624 526551753 /nfs/dbraw/zinc/55/17/53/526551753.db2.gz QVEPZWMTTYPVAJ-LBPRGKRZSA-N 0 0 427.914 1.673 50 0 IDAARN O=C(c1cc(F)ccc1-n1cnnn1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012322672 526621342 /nfs/dbraw/zinc/62/13/42/526621342.db2.gz BVNKBFYBVIJHHU-UHFFFAOYSA-N 0 0 434.428 1.087 50 0 IDAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000016680245 526653096 /nfs/dbraw/zinc/65/30/96/526653096.db2.gz DXRDGWNHTAREOQ-UHFFFAOYSA-N 0 0 446.467 1.619 50 0 IDAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCOCC3)ccc21)N1CCCC1 ZINC000035503483 526668831 /nfs/dbraw/zinc/66/88/31/526668831.db2.gz KNCUFCRXNALJPD-UHFFFAOYSA-N 0 0 425.532 1.096 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000021707383 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ZINC000000797348 555558351 /nfs/dbraw/zinc/55/83/51/555558351.db2.gz NNQIBCOYJZWINU-UHFFFAOYSA-N 0 0 435.509 1.571 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000000831028 555566367 /nfs/dbraw/zinc/56/63/67/555566367.db2.gz KNAWMKIGAFSGGS-UHFFFAOYSA-N 0 0 426.516 1.399 50 0 IDAARN Cc1cc(O)ccc1-n1c(=O)c2cc3c(cc2c1=O)c(=O)n(-c1ccc(O)cc1C)c3=O ZINC000000861822 555572654 /nfs/dbraw/zinc/57/26/54/555572654.db2.gz RYXPSGXVPQZGEF-UHFFFAOYSA-N 0 0 428.400 1.919 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 ZINC000000900027 555580814 /nfs/dbraw/zinc/58/08/14/555580814.db2.gz FLYIQHRWXFBSEE-UHFFFAOYSA-N 0 0 431.514 1.865 50 0 IDAARN COC(=O)c1sccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(N(C)C)cc1 ZINC000001033597 555607083 /nfs/dbraw/zinc/60/70/83/555607083.db2.gz ZSRIVUVDKWVYCW-INIZCTEOSA-N 0 0 444.513 1.570 50 0 IDAARN COC(=O)c1ccc(Cn2c(=O)c3nc[nH]c3n(-c3cccc([S@@](C)=O)c3)c2=O)cc1 ZINC000001040195 555609723 /nfs/dbraw/zinc/60/97/23/555609723.db2.gz 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COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000001471289 555701177 /nfs/dbraw/zinc/70/11/77/555701177.db2.gz MDMQCCKPZMYDDQ-UHFFFAOYSA-N 0 0 434.470 1.375 50 0 IDAARN CN1[C@H](CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O ZINC000001530907 555702517 /nfs/dbraw/zinc/70/25/17/555702517.db2.gz CYLWJCABXYDINA-SNVBAGLBSA-N 0 0 439.890 1.655 50 0 world IDAARN Cn1c2nc(Br)n(CCSCC(=O)Nc3ccccc3)c2c(=O)[nH]c1=O ZINC000001786285 555715294 /nfs/dbraw/zinc/71/52/94/555715294.db2.gz ZMVQAAWWNRSSOO-UHFFFAOYSA-N 0 0 438.307 1.558 50 0 IDAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(S(N)(=O)=O)cc1)C(F)(F)F ZINC000002187943 555755833 /nfs/dbraw/zinc/75/58/33/555755833.db2.gz BGDLNVQUWRDGCM-KRWDZBQOSA-N 0 0 445.419 1.998 50 0 IDAARN COCC(=O)N1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)nc(N(C)C)c2C1 ZINC000034678646 555797538 /nfs/dbraw/zinc/79/75/38/555797538.db2.gz XEOPRCDJXSXPEG-UHFFFAOYSA-N 0 0 428.512 1.539 50 0 IDAARN COCCN(C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1F ZINC000034691419 555804155 /nfs/dbraw/zinc/80/41/55/555804155.db2.gz AVQUBXIGBTYFSU-MSOLQXFVSA-N 0 0 426.529 1.791 50 0 IDAARN COC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1 ZINC000002875377 555851991 /nfs/dbraw/zinc/85/19/91/555851991.db2.gz JNMLPIAWCYODNN-UHFFFAOYSA-N 0 0 429.458 1.856 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)cc1 ZINC000002881423 555855583 /nfs/dbraw/zinc/85/55/83/555855583.db2.gz RTIGXTMUJBJOON-UHFFFAOYSA-N 0 0 431.514 1.858 50 0 IDAARN CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)Nc4c[nH]c(=O)[nH]c4=O)cc3C2=O)c1 ZINC000002934393 555864493 /nfs/dbraw/zinc/86/44/93/555864493.db2.gz KXJLPMKPWNUJQP-UHFFFAOYSA-N 0 0 434.364 1.041 50 0 IDAARN CCCS(=O)(=O)c1c2ccc(C(N)=O)cn2c(C(=O)OC)c1S(=O)(=O)CCC ZINC000003065130 555884455 /nfs/dbraw/zinc/88/44/55/555884455.db2.gz KAXAXEQWUINVII-UHFFFAOYSA-N 0 0 430.504 1.192 50 0 IDAARN COc1cccc(CN2CCc3nc(N4CCN(C)CC4)nc(N4CCOCC4)c3C2)c1 ZINC000034755471 555900466 /nfs/dbraw/zinc/90/04/66/555900466.db2.gz MQDQOLIRZOMPRI-UHFFFAOYSA-N 0 0 438.576 1.632 50 0 IDAARN O=C(CSc1ccccn1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000010555112 555976776 /nfs/dbraw/zinc/97/67/76/555976776.db2.gz BDESCMMMUZTDBS-UHFFFAOYSA-N 0 0 435.527 1.478 50 0 IDAARN CCOC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004536992 556000250 /nfs/dbraw/zinc/00/02/50/556000250.db2.gz IDHICUTZYMBRBG-RTBURBONSA-N 0 0 447.532 1.998 50 0 IDAARN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000004704125 556006870 /nfs/dbraw/zinc/00/68/70/556006870.db2.gz TUMHKKYOEKRNHW-HXUWFJFHSA-N 0 0 429.517 1.678 50 0 IDAARN CC1(C)[C@@]2(C(=O)NCCCNC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC[C@]1(C)C(=O)O2 ZINC000006232724 556081419 /nfs/dbraw/zinc/08/14/19/556081419.db2.gz XGRKUKXYQLTUHB-LUKWVAJMSA-N 0 0 434.533 1.853 50 0 IDAARN COCCn1cnc2c1c(=O)n(CCOc1ccccc1C(C)=O)c(=O)n2CC(C)C ZINC000010580690 556094939 /nfs/dbraw/zinc/09/49/39/556094939.db2.gz KTVGAYSDAYTITP-UHFFFAOYSA-N 0 0 428.489 1.944 50 0 IDAARN COC(=O)COc1cccc2c1ccn(CC(=O)N1CCN(c3ccccc3)CC1)c2=O 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O=C1[C@H]2[C@H](C(=O)N1Cc1cccnc1)C1C=CC2[C@H]2C(=O)N(Cc3cccnc3)C(=O)[C@@H]21 ZINC000008450418 556181248 /nfs/dbraw/zinc/18/12/48/556181248.db2.gz OROWPZZWTYLNEV-CVUDOADXSA-N 0 0 428.448 1.195 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1 ZINC000008590585 556188647 /nfs/dbraw/zinc/18/86/47/556188647.db2.gz PPDLSOLHEPLHKK-UHFFFAOYSA-N 0 0 449.485 1.511 50 0 IDAARN O=c1c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2occ1-c1ccc(Cl)cc1 ZINC000008740196 556206297 /nfs/dbraw/zinc/20/62/97/556206297.db2.gz PIIJBWCFNYXGGN-QNDFHXLGSA-N 0 0 434.828 1.292 50 0 biogenic IDAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(S(N)(=O)=O)cc3)C(=O)[C@H]1C2 ZINC000008770495 556213321 /nfs/dbraw/zinc/21/33/21/556213321.db2.gz QLXQCOJLOXEYDS-OAHLLOKOSA-N 0 0 433.511 1.410 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc(=O)n(C)c(=O)n3C)cc2)C1 ZINC000010608679 556224252 /nfs/dbraw/zinc/22/42/52/556224252.db2.gz IFAMVFUIUOFHOY-HUUCEWRRSA-N 0 0 449.529 1.108 50 0 IDAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C ZINC000010608422 556226085 /nfs/dbraw/zinc/22/60/85/556226085.db2.gz XHVTWYMXVAOEHU-UHFFFAOYSA-N 0 0 439.390 1.782 50 0 IDAARN C[C@H](C(=O)NC1CC1)N1CCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000097527154 556237101 /nfs/dbraw/zinc/23/71/01/556237101.db2.gz PSJFWERFRDMJIM-SBOQHKNFSA-N 0 0 445.608 1.454 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)NC(=O)N[C@H]1CC ZINC000032541458 556271673 /nfs/dbraw/zinc/27/16/73/556271673.db2.gz GKYINJJTHZQVNB-KRWDZBQOSA-N 0 0 447.511 1.290 50 0 IDAARN Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000009344299 556283713 /nfs/dbraw/zinc/28/37/13/556283713.db2.gz USZJCNVBTGVXLJ-OAHLLOKOSA-N 0 0 432.355 1.701 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000009425450 556289817 /nfs/dbraw/zinc/28/98/17/556289817.db2.gz CZIBVSUAACUJTJ-UHFFFAOYSA-N 0 0 445.497 1.960 50 0 IDAARN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1cccnc1 ZINC000013720778 556290062 /nfs/dbraw/zinc/29/00/62/556290062.db2.gz RAHXTMQVINFQDA-UHFFFAOYSA-N 0 0 425.488 1.025 50 0 IDAARN CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000013723069 556291273 /nfs/dbraw/zinc/29/12/73/556291273.db2.gz YGOHHSGDKRSELA-ZDUSSCGKSA-N 0 0 439.515 1.271 50 0 IDAARN COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000013727212 556293592 /nfs/dbraw/zinc/29/35/92/556293592.db2.gz RGRAYBSCGVEGHA-UHFFFAOYSA-N 0 0 439.515 1.271 50 0 IDAARN CCOc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1cccnc1 ZINC000013732042 556296132 /nfs/dbraw/zinc/29/61/32/556296132.db2.gz MMFFFVIMZIBIOV-ZDUSSCGKSA-N 0 0 439.515 1.271 50 0 IDAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)cc1 ZINC000009582914 556300799 /nfs/dbraw/zinc/30/07/99/556300799.db2.gz CTYKMIQXHXJDRB-UHFFFAOYSA-N 0 0 447.542 1.793 50 0 IDAARN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 ZINC000013756732 556300865 /nfs/dbraw/zinc/30/08/65/556300865.db2.gz MEUXRWPSGKEJIB-OKZBNKHCSA-N 0 0 443.836 1.637 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H]2C[C@@H](C)OC2=O)CC1 ZINC000032736526 556306667 /nfs/dbraw/zinc/30/66/67/556306667.db2.gz HJVPDWGWJKGTJQ-IUODEOHRSA-N 0 0 425.459 1.121 50 0 IDAARN O=C1[C@H]2[C@H](C(=O)N1Cc1cccnc1)C1C=CC2[C@H]2C(=O)N(Cc3cccnc3)C(=O)[C@H]21 ZINC000013777924 556307785 /nfs/dbraw/zinc/30/77/85/556307785.db2.gz OROWPZZWTYLNEV-QLQTZTHHSA-N 0 0 428.448 1.195 50 0 IDAARN COc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000013847078 556319068 /nfs/dbraw/zinc/31/90/68/556319068.db2.gz XAHVWHUHXCXPLH-UHFFFAOYSA-N 0 0 447.557 1.729 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nnsc2Cl)CC1 ZINC000032759388 556319532 /nfs/dbraw/zinc/31/95/32/556319532.db2.gz YKFWRZWIUBTGRQ-UHFFFAOYSA-N 0 0 430.939 1.859 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000009971445 556319568 /nfs/dbraw/zinc/31/95/68/556319568.db2.gz NBWMTTWNMOQHRO-HNNXBMFYSA-N 0 0 440.543 1.978 50 0 IDAARN CCOc1ccc(N2C[C@H](C(=O)NCc3cccc(NS(N)(=O)=O)c3)CC2=O)cc1 ZINC000032754068 556323385 /nfs/dbraw/zinc/32/33/85/556323385.db2.gz VBFNLPNTSNHTCQ-OAHLLOKOSA-N 0 0 432.502 1.370 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)Nc4nncs4)CC3=O)cc2)CC1 ZINC000013941738 556338687 /nfs/dbraw/zinc/33/86/87/556338687.db2.gz CVNANKLMSNQUJF-CQSZACIVSA-N 0 0 449.558 1.950 50 0 IDAARN O=C(CCCn1nnnc1CN1CCOCC1)N1CCCC[C@H]1CCc1ccccn1 ZINC000011665429 556346099 /nfs/dbraw/zinc/34/60/99/556346099.db2.gz WGTBJKVZSAXANL-FQEVSTJZSA-N 0 0 427.553 1.694 50 0 IDAARN Cn1ncc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)c1C(N)=O ZINC000013959778 556346739 /nfs/dbraw/zinc/34/67/39/556346739.db2.gz LVOVWXCZVAOVBB-IMWAJYHESA-N 0 0 448.325 1.807 50 0 IDAARN CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cn1 ZINC000013959985 556346912 /nfs/dbraw/zinc/34/69/12/556346912.db2.gz BAUIRGLVKZRUMP-RPXHZFJKSA-N 0 0 438.509 1.633 50 0 IDAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000032784386 556349984 /nfs/dbraw/zinc/34/99/84/556349984.db2.gz VHVZENUDBPNIMJ-PXNSSMCTSA-N 0 0 443.500 1.951 50 0 IDAARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000014018251 556356021 /nfs/dbraw/zinc/35/60/21/556356021.db2.gz JZOOEPIWWBHZBR-GOSISDBHSA-N 0 0 438.412 1.854 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)CC1 ZINC000011814150 556357563 /nfs/dbraw/zinc/35/75/63/556357563.db2.gz XOGKQGFMIODUQC-KRWDZBQOSA-N 0 0 443.500 1.958 50 0 IDAARN Cc1cc(N2C[C@@H](C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)ccc1Br ZINC000032795615 556357856 /nfs/dbraw/zinc/35/78/56/556357856.db2.gz USQHIZKRTOKWHG-GXTWGEPZSA-N 0 0 429.336 1.756 50 0 IDAARN CNC(=O)c1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000032803335 556365421 /nfs/dbraw/zinc/36/54/21/556365421.db2.gz IBWRCXDIKLNTRC-UHFFFAOYSA-N 0 0 434.493 1.401 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000011842786 556366332 /nfs/dbraw/zinc/36/63/32/556366332.db2.gz REZYCTWSTXAPQQ-GOSISDBHSA-N 0 0 440.591 1.557 50 0 IDAARN CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000014095054 556366835 /nfs/dbraw/zinc/36/68/35/556366835.db2.gz ZYFWPVOMFOMWAV-INIZCTEOSA-N 0 0 428.580 1.836 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)c1cccnc1)c(=O)n2Cc1ccccc1 ZINC000014095290 556367110 /nfs/dbraw/zinc/36/71/10/556367110.db2.gz UDKHNCQWAFKBRJ-MRXNPFEDSA-N 0 0 432.484 1.700 50 0 IDAARN O=C(Cc1cccc2ccccc21)N1CCc2nnc(CNC(=O)[C@H]3CCOC3)n2CC1 ZINC000011871885 556369005 /nfs/dbraw/zinc/36/90/05/556369005.db2.gz NACMMTOAPVIQMV-IBGZPJMESA-N 0 0 433.512 1.711 50 0 IDAARN Cn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nnc1-c1ccc(F)cc1 ZINC000014123751 556372912 /nfs/dbraw/zinc/37/29/12/556372912.db2.gz MQYUHGLGQACGER-UHFFFAOYSA-N 0 0 431.493 1.901 50 0 IDAARN O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000014140145 556376434 /nfs/dbraw/zinc/37/64/34/556376434.db2.gz YNSMVGAGYUPQIT-IBGZPJMESA-N 0 0 439.541 1.425 50 0 IDAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1=O ZINC000014140593 556376610 /nfs/dbraw/zinc/37/66/10/556376610.db2.gz GCSKFSYCPCODMO-OAQYLSRUSA-N 0 0 444.513 1.733 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cn3c(cccc3C)n2)cc1C ZINC000011934798 556378010 /nfs/dbraw/zinc/37/80/10/556378010.db2.gz CXPHKJNHGIAFQB-FQEVSTJZSA-N 0 0 435.528 1.967 50 0 IDAARN O=C(CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc(F)c(F)c1 ZINC000014168957 556380565 /nfs/dbraw/zinc/38/05/65/556380565.db2.gz RZXLCSUDNLZTRF-UHFFFAOYSA-N 0 0 428.395 1.091 50 0 IDAARN COc1ccc(-c2nc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)n[nH]2)cc1 ZINC000014184267 556384414 /nfs/dbraw/zinc/38/44/14/556384414.db2.gz PHYVOCJZXIULOA-UHFFFAOYSA-N 0 0 429.502 1.760 50 0 IDAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014189526 556387245 /nfs/dbraw/zinc/38/72/45/556387245.db2.gz ABPRWFWTXKTFKL-HSZRJFAPSA-N 0 0 434.452 1.982 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000032816325 556391630 /nfs/dbraw/zinc/39/16/30/556391630.db2.gz HJPJEAHJVXIGIW-HNNXBMFYSA-N 0 0 447.479 1.888 50 0 IDAARN O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000014201382 556392064 /nfs/dbraw/zinc/39/20/64/556392064.db2.gz GFIRCEDCZJASFA-GFCCVEGCSA-N 0 0 439.563 1.409 50 0 IDAARN CCn1c(-c2cccnc2)nc2cc(NC(=O)COC)cc(C(=O)N(C)CC(=O)OC)c21 ZINC000012050914 556392651 /nfs/dbraw/zinc/39/26/51/556392651.db2.gz APGUIRGTAVOPMZ-UHFFFAOYSA-N 0 0 439.472 1.948 50 0 IDAARN Cc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000014226832 556395089 /nfs/dbraw/zinc/39/50/89/556395089.db2.gz NXZMKQFLQJPABS-UHFFFAOYSA-N 0 0 429.542 1.875 50 0 IDAARN O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C(=O)N1Cc1cccs1 ZINC000032811012 556397924 /nfs/dbraw/zinc/39/79/24/556397924.db2.gz OJBQRFKUTUUHAA-UHFFFAOYSA-N 0 0 440.525 1.749 50 0 IDAARN O=C([C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000014242432 556403201 /nfs/dbraw/zinc/40/32/01/556403201.db2.gz PJUJLYQZLBCQBZ-QGZVFWFLSA-N 0 0 425.514 1.344 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000014245221 556405066 /nfs/dbraw/zinc/40/50/66/556405066.db2.gz QJEUBCGRMPLSGU-UHFFFAOYSA-N 0 0 446.309 1.692 50 0 IDAARN Cc1ccccc1C(=O)NCCC(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000014246503 556406563 /nfs/dbraw/zinc/40/65/63/556406563.db2.gz IACBNXMJKKVHMU-OAQYLSRUSA-N 0 0 437.496 1.768 50 0 IDAARN C[C@@H](OC(=O)[C@@H]1COc2ccccc2C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000032823875 556408463 /nfs/dbraw/zinc/40/84/63/556408463.db2.gz FQNXNTIUYWUZON-PBHICJAKSA-N 0 0 432.498 1.176 50 0 IDAARN C[C@H](OC(=O)[C@H]1COc2ccccc2C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000032823880 556408599 /nfs/dbraw/zinc/40/85/99/556408599.db2.gz FQNXNTIUYWUZON-WMLDXEAASA-N 0 0 432.498 1.176 50 0 IDAARN O=C(CSc1nnnn1-c1cccc(Cl)c1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000014253298 556409820 /nfs/dbraw/zinc/40/98/20/556409820.db2.gz YERVBUFRNRWLIN-UHFFFAOYSA-N 0 0 434.909 1.596 50 0 IDAARN CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000014255417 556410697 /nfs/dbraw/zinc/41/06/97/556410697.db2.gz VUDXUSLMBQXAOB-UONOGXRCSA-N 0 0 428.507 1.389 50 0 IDAARN CN(Cc1ccc(Br)cc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000032826351 556411201 /nfs/dbraw/zinc/41/12/01/556411201.db2.gz APJCEBSJNZWWCM-HIFRSBDPSA-N 0 0 429.336 1.443 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2cccc3c(=O)n(Cc4ccncc4)c(=O)nc2-3)c1 ZINC000032641622 556412057 /nfs/dbraw/zinc/41/20/57/556412057.db2.gz NPJGYLJBDVJPQF-UHFFFAOYSA-N 0 0 447.451 1.609 50 0 IDAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 ZINC000032643057 556412514 /nfs/dbraw/zinc/41/25/14/556412514.db2.gz GLLBYZJYBWHCOK-UHFFFAOYSA-N 0 0 428.514 1.591 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000004370903 556413055 /nfs/dbraw/zinc/41/30/55/556413055.db2.gz MAKSUMATINUOPC-MRXNPFEDSA-N 0 0 427.505 1.416 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)c1 ZINC000004386226 556413378 /nfs/dbraw/zinc/41/33/78/556413378.db2.gz IRZILJYKBXLHDR-INIZCTEOSA-N 0 0 427.505 1.172 50 0 IDAARN COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 ZINC000032672327 556415011 /nfs/dbraw/zinc/41/50/11/556415011.db2.gz YITBSQRZHXQHFC-UHFFFAOYSA-N 0 0 425.470 1.810 50 0 IDAARN Cn1ncc2c1ncnc2N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000032829284 556416082 /nfs/dbraw/zinc/41/60/82/556416082.db2.gz LUICSUCRDOKYGI-UHFFFAOYSA-N 0 0 426.424 1.983 50 0 IDAARN CCOc1ccc(NS(=O)(=O)c2ccc(OCCOC)cc2)cc1S(N)(=O)=O ZINC000032833765 556417896 /nfs/dbraw/zinc/41/78/96/556417896.db2.gz ITHOXMCTGXTOOI-UHFFFAOYSA-N 0 0 430.504 1.559 50 0 IDAARN CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@@H]1c1cccs1 ZINC000032667632 556417864 /nfs/dbraw/zinc/41/78/64/556417864.db2.gz IGNKMLLFRPGHML-MRXNPFEDSA-N 0 0 447.494 1.764 50 0 IDAARN CSc1ccc(C(=O)N2CCc3c(c(C(=O)NCCN4CCOCC4)nn3C)C2)cc1 ZINC000014531659 556420668 /nfs/dbraw/zinc/42/06/68/556420668.db2.gz BJGWRKVQHDUUDD-UHFFFAOYSA-N 0 0 443.573 1.403 50 0 IDAARN CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)CSc2nncn2C)CC1=O ZINC000014531958 556420972 /nfs/dbraw/zinc/42/09/72/556420972.db2.gz URMIPFBWBBKOQY-QGZVFWFLSA-N 0 0 449.552 1.959 50 0 IDAARN O=C(Nc1ccccc1Cl)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1 ZINC000014532381 556421013 /nfs/dbraw/zinc/42/10/13/556421013.db2.gz WLOVIHHHAWFSLT-VHSSKADRSA-N 0 0 428.876 1.878 50 0 IDAARN Cc1nc(C(=O)N2CC(=O)N(CCCN3CCCC3=O)C[C@H](OCC3CC3)C2)cs1 ZINC000014535770 556423200 /nfs/dbraw/zinc/42/32/00/556423200.db2.gz DDHZPALVKBSSAT-KRWDZBQOSA-N 0 0 434.562 1.544 50 0 IDAARN O=C(c1cccc(Cl)c1)N1CCN2C(=O)[C@H](COCc3ccccc3)NC(=O)[C@H]2C1 ZINC000014537317 556424022 /nfs/dbraw/zinc/42/40/22/556424022.db2.gz ZQWBLKMPDCNFOF-RBUKOAKNSA-N 0 0 427.888 1.708 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@H]3C2)c1 ZINC000014539154 556424659 /nfs/dbraw/zinc/42/46/59/556424659.db2.gz MAXPMJAJFJFTGD-RBUKOAKNSA-N 0 0 433.574 1.974 50 0 IDAARN COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 ZINC000012981918 556424805 /nfs/dbraw/zinc/42/48/05/556424805.db2.gz JMRMOIIMZKIGOT-SWLSCSKDSA-N 0 0 430.429 1.988 50 0 IDAARN COC(=O)CCN1C[C@@H](OCc2ccncc2)CN(C(=O)c2ccccc2F)CC1=O ZINC000014541593 556425853 /nfs/dbraw/zinc/42/58/53/556425853.db2.gz OOSSXMDSUJQLFG-QGZVFWFLSA-N 0 0 429.448 1.654 50 0 IDAARN Cc1nc(CN2C[C@H](OCc3ccccn3)CN(C(=O)[C@H]3CCOC3)CC2=O)cs1 ZINC000014542077 556426062 /nfs/dbraw/zinc/42/60/62/556426062.db2.gz NDEFUAKWLSTPJI-LPHOPBHVSA-N 0 0 430.530 1.639 50 0 IDAARN Cc1nc(CN2C[C@@H](OCc3ccccn3)CN(C(=O)[C@@H]3CCOC3)CC2=O)cs1 ZINC000014542074 556426151 /nfs/dbraw/zinc/42/61/51/556426151.db2.gz NDEFUAKWLSTPJI-VQIMIIECSA-N 0 0 430.530 1.639 50 0 IDAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1C ZINC000012992171 556428804 /nfs/dbraw/zinc/42/88/04/556428804.db2.gz IVLHUCBRZJZNFI-UHFFFAOYSA-N 0 0 449.529 1.964 50 0 IDAARN O=C([O-])C[C@@H]1NC(=O)[C@H]2[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C[NH2+][C@@H]2C1=O ZINC000014632682 556430253 /nfs/dbraw/zinc/43/02/53/556430253.db2.gz DHGWNQMKKXRPHL-YHELAOLJSA-N 0 0 449.463 1.024 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)OC(C)(C)C)c2)CC1 ZINC000014675370 556431738 /nfs/dbraw/zinc/43/17/38/556431738.db2.gz IEMYLMXYWYKUNB-UHFFFAOYSA-N 0 0 426.491 1.038 50 0 IDAARN COc1ccc(OCCN2CCN(C(=O)c3sccc3S(N)(=O)=O)CC2)cc1 ZINC000032857601 556433818 /nfs/dbraw/zinc/43/38/18/556433818.db2.gz FRPWVKFPTHHFSK-UHFFFAOYSA-N 0 0 425.532 1.241 50 0 IDAARN Cn1c2ncn(CCCC(=O)Nc3ccccc3OC(F)(F)F)c2c(=O)n(C)c1=O ZINC000027825674 556433999 /nfs/dbraw/zinc/43/39/99/556433999.db2.gz SDMBWKZEKMHHAR-UHFFFAOYSA-N 0 0 425.367 1.751 50 0 IDAARN COc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000013009921 556435423 /nfs/dbraw/zinc/43/54/23/556435423.db2.gz BRQRNAYTTCPKLP-HNNXBMFYSA-N 0 0 439.468 1.916 50 0 IDAARN Cc1nc(C)n(CC(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3cccnc3)C2)n1 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VGGXHACUVIEFRO-GDBMZVCRSA-N 0 0 432.539 1.262 50 0 IDAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc(S(=O)(=O)NC)cn3C)c2)n1 ZINC000058100961 556758224 /nfs/dbraw/zinc/75/82/24/556758224.db2.gz BTGPSLPCXIJVEX-UHFFFAOYSA-N 0 0 431.474 1.548 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-n3cccn3)CC2)cn1C ZINC000058105056 556758454 /nfs/dbraw/zinc/75/84/54/556758454.db2.gz YWTAYCAUMUMLGM-UHFFFAOYSA-N 0 0 428.518 1.954 50 0 IDAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C(=O)N1CCCC1 ZINC000058129429 556759975 /nfs/dbraw/zinc/75/99/75/556759975.db2.gz AMHJISQJCSMRSW-HZPDHXFCSA-N 0 0 433.530 1.205 50 0 IDAARN Cc1ccc(NC(=O)CNc2ccc(F)cc2OCCO)cc1S(=O)(=O)N(C)C ZINC000058146551 556761801 /nfs/dbraw/zinc/76/18/01/556761801.db2.gz JLMPXARSALIXSY-UHFFFAOYSA-N 0 0 425.482 1.806 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n(C)c1 ZINC000058156363 556762425 /nfs/dbraw/zinc/76/24/25/556762425.db2.gz GWMGXHJHNDLZPO-UHFFFAOYSA-N 0 0 440.485 1.043 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@@]23c2ccccc2NC3=O)cc1 ZINC000061999544 556763975 /nfs/dbraw/zinc/76/39/75/556763975.db2.gz YVPVISMCYDZJKM-YAEBDLLGSA-N 0 0 436.468 1.503 50 0 biogenic IDAARN Cc1ccc(N2CC[C@H](C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1C ZINC000058162034 556765662 /nfs/dbraw/zinc/76/56/62/556765662.db2.gz YZHSELVGBSVPHN-ZIFCJYIRSA-N 0 0 437.562 1.212 50 0 IDAARN C[C@@H](C(=O)Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000058163360 556766255 /nfs/dbraw/zinc/76/62/55/556766255.db2.gz YAKKRCWBPIXZCT-HNNXBMFYSA-N 0 0 449.504 1.930 50 0 IDAARN COc1ccc2nc(N3CC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)C3)sc2c1 ZINC000062023130 556766636 /nfs/dbraw/zinc/76/66/36/556766636.db2.gz ZROLDOAULXRUOC-UHFFFAOYSA-N 0 0 432.527 1.705 50 0 IDAARN CCOc1ccc(NC(=O)[C@H]2CSCN2C(C)=O)cc1S(=O)(=O)N1CCCC1 ZINC000058168042 556767326 /nfs/dbraw/zinc/76/73/26/556767326.db2.gz JFFLCRYBCYYHIK-OAHLLOKOSA-N 0 0 427.548 1.730 50 0 IDAARN Cc1ccc(NS(=O)(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(Br)c1 ZINC000058173083 556768536 /nfs/dbraw/zinc/76/85/36/556768536.db2.gz KVLQIULPGVTADU-UHFFFAOYSA-N 0 0 439.291 1.504 50 0 IDAARN O=C(CN1CCN(c2ccccc2O)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000058176585 556769360 /nfs/dbraw/zinc/76/93/60/556769360.db2.gz OTVMSQMDUTXZNG-UHFFFAOYSA-N 0 0 444.557 1.937 50 0 IDAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCC(N2CCNC2=O)CC1 ZINC000058200889 556770912 /nfs/dbraw/zinc/77/09/12/556770912.db2.gz FNPRZBLNRVTVIN-LJQANCHMSA-N 0 0 435.956 1.913 50 0 IDAARN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)C(C)C)C2)cc1 ZINC000058229518 556773984 /nfs/dbraw/zinc/77/39/84/556773984.db2.gz OIFQJJVKCKUNOD-INIZCTEOSA-N 0 0 445.607 1.553 50 0 IDAARN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nnc(N2CCOCC2)s1)c1ccc(F)cc1 ZINC000058232056 556774380 /nfs/dbraw/zinc/77/43/80/556774380.db2.gz OFQLEGKOAJSUOU-RYUDHWBXSA-N 0 0 428.511 1.553 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000058244705 556775071 /nfs/dbraw/zinc/77/50/71/556775071.db2.gz MLCURVHKOHTORH-FQEVSTJZSA-N 0 0 438.463 1.916 50 0 IDAARN C[C@@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O ZINC000058264798 556776274 /nfs/dbraw/zinc/77/62/74/556776274.db2.gz PECSNNBNNYILSQ-QFIPXVFZSA-N 0 0 433.424 1.618 50 0 IDAARN O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000058298018 556778243 /nfs/dbraw/zinc/77/82/43/556778243.db2.gz PFTVSYYEWFERJI-KGLIPLIRSA-N 0 0 426.395 1.473 50 0 IDAARN CN(C)C(=O)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000058307606 556779256 /nfs/dbraw/zinc/77/92/56/556779256.db2.gz XSRVFCHXGFDYOQ-IBGZPJMESA-N 0 0 446.529 1.659 50 0 IDAARN CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O ZINC000058309315 556779500 /nfs/dbraw/zinc/77/95/00/556779500.db2.gz QHTULMSXPWENIR-NRFANRHFSA-N 0 0 435.444 1.467 50 0 IDAARN CCCCn1c2nc(CN3CCC[C@H](c4ccnc(COC)n4)C3)n(C)c2c(=O)[nH]c1=O ZINC000058332523 556781619 /nfs/dbraw/zinc/78/16/19/556781619.db2.gz PKXWFHCCICXCOP-HNNXBMFYSA-N 0 0 441.536 1.539 50 0 IDAARN O=C(COc1cccnc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000058341653 556781824 /nfs/dbraw/zinc/78/18/24/556781824.db2.gz SMOAIPFCBWXNGH-UHFFFAOYSA-N 0 0 446.348 1.818 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)n3)CC2)o1 ZINC000058357891 556782971 /nfs/dbraw/zinc/78/29/71/556782971.db2.gz HOXMTGRAPGKSML-UHFFFAOYSA-N 0 0 445.501 1.544 50 0 IDAARN Cc1cc(C)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1 ZINC000058916188 556793030 /nfs/dbraw/zinc/79/30/30/556793030.db2.gz YWMMHPDLISNSOF-UHFFFAOYSA-N 0 0 442.335 1.691 50 0 IDAARN Cc1nn(C)c2ncc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc12 ZINC000059370219 556798989 /nfs/dbraw/zinc/79/89/89/556798989.db2.gz JYPUTSRMQIKZJM-UHFFFAOYSA-N 0 0 442.545 1.530 50 0 IDAARN O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000072401946 556801777 /nfs/dbraw/zinc/80/17/77/556801777.db2.gz HOUYPXNUIGVSSU-AWEZNQCLSA-N 0 0 438.531 1.909 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c(Br)c1 ZINC000059746053 556803940 /nfs/dbraw/zinc/80/39/40/556803940.db2.gz CCYLVVLMQIINPR-UHFFFAOYSA-N 0 0 449.323 1.186 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000003315047 556809782 /nfs/dbraw/zinc/80/97/82/556809782.db2.gz QNTBVECHYUAXAN-UHFFFAOYSA-N 0 0 440.525 1.743 50 0 IDAARN COc1ccc(C=CC(=O)OCC(=O)c2ccc[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000003335754 556812806 /nfs/dbraw/zinc/81/28/06/556812806.db2.gz GRWRSNAZIPXLMH-FNORWQNLSA-N 0 0 434.470 1.484 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)c(C)c1 ZINC000064893400 556828478 /nfs/dbraw/zinc/82/84/78/556828478.db2.gz FRIGBJIUOZSAEJ-UHFFFAOYSA-N 0 0 432.546 1.565 50 0 IDAARN Cn1nc(C(=O)N2CCOCC2)c2c1CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2 ZINC000064893433 556828535 /nfs/dbraw/zinc/82/85/35/556828535.db2.gz XUKGXTOOCBHSDV-UHFFFAOYSA-N 0 0 444.557 1.518 50 0 IDAARN CSc1nc2nc(C)c(CC(=O)OCC(=O)Nc3sccc3C(N)=O)c(C)n2n1 ZINC000019614637 556831696 /nfs/dbraw/zinc/83/16/96/556831696.db2.gz XUBQCDNFZKIGMI-UHFFFAOYSA-N 0 0 434.503 1.348 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000019631714 556832786 /nfs/dbraw/zinc/83/27/86/556832786.db2.gz OZYBGNMYXTWUTK-DMVFFGLYSA-N 0 0 440.500 1.979 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000019631711 556832795 /nfs/dbraw/zinc/83/27/95/556832795.db2.gz OZYBGNMYXTWUTK-RPXHZFJKSA-N 0 0 440.500 1.979 50 0 IDAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@H]2C(=O)N2CCCC2)C1=O ZINC000062587251 556838636 /nfs/dbraw/zinc/83/86/36/556838636.db2.gz HXWNWIINZKJYNS-FDDCHVKYSA-N 0 0 426.517 1.847 50 0 IDAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)C1=O ZINC000062587245 556838685 /nfs/dbraw/zinc/83/86/85/556838685.db2.gz HXWNWIINZKJYNS-JPYJTQIMSA-N 0 0 426.517 1.847 50 0 IDAARN COc1cccc(CN2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)S2(=O)=O)c1 ZINC000096834599 556847399 /nfs/dbraw/zinc/84/73/99/556847399.db2.gz ZROJUAZQFHNXMD-UHFFFAOYSA-N 0 0 433.486 1.815 50 0 IDAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 ZINC000033088154 556855984 /nfs/dbraw/zinc/85/59/84/556855984.db2.gz CYCDAILKRHUFPS-HNNXBMFYSA-N 0 0 432.444 1.265 50 0 IDAARN Cn1c(=O)c(C(=O)COC(=O)c2cc3ccccc3[nH]2)c(N)n(Cc2ccccc2)c1=O ZINC000011227081 556875633 /nfs/dbraw/zinc/87/56/33/556875633.db2.gz LEPZRLRAYKKUDR-UHFFFAOYSA-N 0 0 432.436 1.699 50 0 IDAARN CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4F)c(=O)c3s2)C1 ZINC000033141084 556876957 /nfs/dbraw/zinc/87/69/57/556876957.db2.gz OYQRLJGIZVWSGU-LBPRGKRZSA-N 0 0 444.492 1.593 50 0 IDAARN Cc1cc(-c2csc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)on1 ZINC000033169525 556884703 /nfs/dbraw/zinc/88/47/03/556884703.db2.gz BMJQAPMKFNKTAZ-UHFFFAOYSA-N 0 0 427.529 1.880 50 0 IDAARN Cn1c(=O)c(N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)nc2cccnc21 ZINC000033259537 556894642 /nfs/dbraw/zinc/89/46/42/556894642.db2.gz VOPMLTAOKYCLEY-FQEVSTJZSA-N 0 0 446.555 1.889 50 0 IDAARN COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000033255777 556894975 /nfs/dbraw/zinc/89/49/75/556894975.db2.gz XWTJMWUHTIHIGX-IAGOWNOFSA-N 0 0 435.546 1.307 50 0 IDAARN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)cc21 ZINC000033255726 556894983 /nfs/dbraw/zinc/89/49/83/556894983.db2.gz LFGQXZHUPATDRC-CQSZACIVSA-N 0 0 436.515 1.680 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc1 ZINC000072117267 556898108 /nfs/dbraw/zinc/89/81/08/556898108.db2.gz MNKPRPJBJIEETF-UHFFFAOYSA-N 0 0 428.518 1.799 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3ccc(S(=O)(=O)c4ccccc4)nn3c2=O)cc1 ZINC000033261720 556899620 /nfs/dbraw/zinc/89/96/20/556899620.db2.gz PVNRKYWXMPTPHP-UHFFFAOYSA-N 0 0 439.453 1.371 50 0 IDAARN COCCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033263439 556901711 /nfs/dbraw/zinc/90/17/11/556901711.db2.gz SAYGRPMSWVIMNH-AWEZNQCLSA-N 0 0 431.518 1.795 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(Cc1cccs1)CC2 ZINC000019789912 556914844 /nfs/dbraw/zinc/91/48/44/556914844.db2.gz UGFPULWPUCCQKK-UHFFFAOYSA-N 0 0 429.502 1.598 50 0 IDAARN COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000019805412 556917998 /nfs/dbraw/zinc/91/79/98/556917998.db2.gz RFQWUOLBYYXRAD-UHFFFAOYSA-N 0 0 428.464 1.347 50 0 IDAARN C[C@@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(CCN1CCOCC1)c3=O ZINC000019829494 556926286 /nfs/dbraw/zinc/92/62/86/556926286.db2.gz NKIVMEQHTPGALB-INIZCTEOSA-N 0 0 430.553 1.018 50 0 IDAARN CCn1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1=O ZINC000019849623 556930436 /nfs/dbraw/zinc/93/04/36/556930436.db2.gz QUGOYEPEISGOFF-UHFFFAOYSA-N 0 0 436.468 1.396 50 0 IDAARN O=C(CN1CCOCC1)Nc1ccc(-c2ccc(NC(=O)CN3CCOCC3)cc2)cc1 ZINC000019902703 556942323 /nfs/dbraw/zinc/94/23/23/556942323.db2.gz JPZFXDUWJYXICI-UHFFFAOYSA-N 0 0 438.528 1.895 50 0 IDAARN CCN1c2ccccc2N2C1=CC(C(=O)OC)=C(C(=O)OC)[C@H](C(=O)OC)[C@@H]2C(=O)OC ZINC000019908669 556942703 /nfs/dbraw/zinc/94/27/03/556942703.db2.gz GWVBVFNYYYURBA-ZWKOTPCHSA-N 0 0 444.440 1.161 50 0 IDAARN CN(C)S(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000019908983 556942821 /nfs/dbraw/zinc/94/28/21/556942821.db2.gz WMTZFRIWNRKFRO-FQEVSTJZSA-N 0 0 447.557 1.081 50 0 IDAARN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C(=O)N1CCCCC1 ZINC000019928923 556946858 /nfs/dbraw/zinc/94/68/58/556946858.db2.gz YQSDPZWCXBSEER-UHFFFAOYSA-N 0 0 425.551 1.322 50 0 IDAARN O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019928856 556946990 /nfs/dbraw/zinc/94/69/90/556946990.db2.gz CNUBEUJCSKXRHV-UHFFFAOYSA-N 0 0 429.542 1.666 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000019933477 556949886 /nfs/dbraw/zinc/94/98/86/556949886.db2.gz GJEWQKATBDGZTK-UHFFFAOYSA-N 0 0 425.485 1.950 50 0 IDAARN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCN1CCOCC1 ZINC000019943623 556953840 /nfs/dbraw/zinc/95/38/40/556953840.db2.gz SDCLMHOTSVETJT-UHFFFAOYSA-N 0 0 433.530 1.623 50 0 IDAARN COc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000019991428 556957163 /nfs/dbraw/zinc/95/71/63/556957163.db2.gz IXJGMUOPNROQSY-UHFFFAOYSA-N 0 0 447.557 1.729 50 0 IDAARN C[C@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000020028297 556967638 /nfs/dbraw/zinc/96/76/38/556967638.db2.gz VDNVPLUXDGDNBW-KRWDZBQOSA-N 0 0 429.542 1.889 50 0 IDAARN Cc1cc(C)n(-c2cc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)nc(C)n2)n1 ZINC000072437164 556972744 /nfs/dbraw/zinc/97/27/44/556972744.db2.gz VWJGZPDPNZHZRQ-UHFFFAOYSA-N 0 0 433.516 1.666 50 0 IDAARN O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000020062157 556976587 /nfs/dbraw/zinc/97/65/87/556976587.db2.gz LPSNUYAZKVASRR-UHFFFAOYSA-N 0 0 429.970 1.967 50 0 IDAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1nc(N)nc(Nc3ccccc3)n1)C2=O ZINC000020067421 556978432 /nfs/dbraw/zinc/97/84/32/556978432.db2.gz INWUYZYDBFASQN-YEJXKQKISA-N 0 0 439.476 1.741 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000020103219 556980842 /nfs/dbraw/zinc/98/08/42/556980842.db2.gz BAUDZAFXQQCIAE-QFIPXVFZSA-N 0 0 449.555 1.160 50 0 IDAARN CN(CC(=O)N1CCC(O)CC1)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000097104080 556987265 /nfs/dbraw/zinc/98/72/65/556987265.db2.gz QDXFEEAZCWEFKQ-UHFFFAOYSA-N 0 0 427.295 1.205 50 0 IDAARN COCCn1c(CN(C)C[C@@H]2COCCO2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000020135925 556988489 /nfs/dbraw/zinc/98/84/89/556988489.db2.gz MAVIKPYXLFUPEP-GOSISDBHSA-N 0 0 429.583 1.873 50 0 IDAARN Cc1ccc2nc(COC(=O)[C@H]3CSCN3S(=O)(=O)c3ccccc3)cc(=O)n2c1 ZINC000097124695 556991033 /nfs/dbraw/zinc/99/10/33/556991033.db2.gz QQQKZADRFYLEDX-QGZVFWFLSA-N 0 0 445.522 1.810 50 0 IDAARN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(CO)(C[C@H]3CCCCO3)CC2)cc1 ZINC000020166833 556994070 /nfs/dbraw/zinc/99/40/70/556994070.db2.gz MSTCJBJAFZYNBK-MRXNPFEDSA-N 0 0 431.576 1.813 50 0 IDAARN CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2ccc(S(N)(=O)=O)c(F)c2)n1 ZINC000097163016 556994228 /nfs/dbraw/zinc/99/42/28/556994228.db2.gz AFVJKUWHAXBOPW-LBPRGKRZSA-N 0 0 428.442 1.832 50 0 IDAARN O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 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557145639 /nfs/dbraw/zinc/14/56/39/557145639.db2.gz KIDCQHGVOIBYFJ-AWEZNQCLSA-N 0 0 438.575 1.300 50 0 IDAARN CCOC(=O)c1cnc(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nc1N ZINC000024417967 557146301 /nfs/dbraw/zinc/14/63/01/557146301.db2.gz DGNRLGBMVDSQOM-UHFFFAOYSA-N 0 0 426.520 1.657 50 0 IDAARN CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000024436693 557146932 /nfs/dbraw/zinc/14/69/32/557146932.db2.gz XJNVZLVHKXJWMJ-UHFFFAOYSA-N 0 0 431.761 1.759 50 0 IDAARN COC(=O)c1sc(S(=O)(=O)N2CCN(CC(F)(F)F)CC2)c(C(=O)OC)c1C ZINC000024527966 557150104 /nfs/dbraw/zinc/15/01/04/557150104.db2.gz KFPINTUMVOWFGQ-UHFFFAOYSA-N 0 0 444.453 1.498 50 0 IDAARN COc1ccccc1C(=O)NCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011451709 557150154 /nfs/dbraw/zinc/15/01/54/557150154.db2.gz DZSZXDKJPHMTIB-UHFFFAOYSA-N 0 0 437.543 1.456 50 0 IDAARN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)CC1 ZINC000024609365 557154289 /nfs/dbraw/zinc/15/42/89/557154289.db2.gz NVSHKNGITJUDQQ-UHFFFAOYSA-N 0 0 437.562 1.838 50 0 IDAARN CSCC[C@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000247563547 557154432 /nfs/dbraw/zinc/15/44/32/557154432.db2.gz ZNIHYABQGJYKQQ-BRWVUGGUSA-N 0 0 428.518 1.898 50 0 IDAARN CCOC(=O)c1cnn(-c2ccc(C(=O)NC3CCN(S(=O)(=O)CC)CC3)cc2)c1C ZINC000024824505 557154897 /nfs/dbraw/zinc/15/48/97/557154897.db2.gz YGLNXJOPNWZCTG-UHFFFAOYSA-N 0 0 448.545 1.901 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)OCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000011508747 557155388 /nfs/dbraw/zinc/15/53/88/557155388.db2.gz TYUYESMDCRJPMW-UHFFFAOYSA-N 0 0 425.485 1.948 50 0 IDAARN C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000024651483 557157402 /nfs/dbraw/zinc/15/74/02/557157402.db2.gz YTVYRNKSTLXCIQ-MRXNPFEDSA-N 0 0 441.513 1.779 50 0 IDAARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2ccccc2c1=O ZINC000206803134 557165007 /nfs/dbraw/zinc/16/50/07/557165007.db2.gz DGEUFFBZTBMOGP-RDTXWAMCSA-N 0 0 425.416 1.757 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000024770854 557165633 /nfs/dbraw/zinc/16/56/33/557165633.db2.gz ANWRGPUBICZBPG-CALCHBBNSA-N 0 0 438.546 1.962 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccc(F)c1)NC[C@@H]1CCCN(c2nccs2)C1 ZINC000206832130 557165999 /nfs/dbraw/zinc/16/59/99/557165999.db2.gz RNTYPDNJQKBVBS-AWEZNQCLSA-N 0 0 426.539 1.983 50 0 IDAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024779550 557167477 /nfs/dbraw/zinc/16/74/77/557167477.db2.gz HNJZLLOCZOZXEW-KRWDZBQOSA-N 0 0 427.509 1.710 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2cncc(Br)c2)cc1 ZINC000024844205 557173865 /nfs/dbraw/zinc/17/38/65/557173865.db2.gz LQTZUJIXPHDHSI-UHFFFAOYSA-N 0 0 441.303 1.976 50 0 IDAARN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000024864168 557174949 /nfs/dbraw/zinc/17/49/49/557174949.db2.gz ABYYBGBOZDBMOF-UHFFFAOYSA-N 0 0 433.914 1.613 50 0 IDAARN C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000024877652 557176338 /nfs/dbraw/zinc/17/63/38/557176338.db2.gz CSDAWNWYVKWDSW-JOCHJYFZSA-N 0 0 439.424 1.678 50 0 IDAARN O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000024904055 557178033 /nfs/dbraw/zinc/17/80/33/557178033.db2.gz TYMCGNFLQNTNFL-SFHVURJKSA-N 0 0 434.493 1.849 50 0 IDAARN O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 ZINC000096174616 557182583 /nfs/dbraw/zinc/18/25/83/557182583.db2.gz RIJLVEAXPNLDTC-UHFFFAOYSA-N 0 0 425.514 1.975 50 0 in-man IDAARN O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCOCC2)c1)C1CC1 ZINC000096210868 557183243 /nfs/dbraw/zinc/18/32/43/557183243.db2.gz QUYKLMZLAQVRBZ-UHFFFAOYSA-N 0 0 426.517 1.566 50 0 IDAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3nccs3)n2C)cc1 ZINC000009262522 557184575 /nfs/dbraw/zinc/18/45/75/557184575.db2.gz ZAJYTPDEVOIYHF-UHFFFAOYSA-N 0 0 432.531 1.984 50 0 IDAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nnc(C)s2)n1C ZINC000009328578 557187197 /nfs/dbraw/zinc/18/71/97/557187197.db2.gz FGKHMMGGKZWDLR-UHFFFAOYSA-N 0 0 433.519 1.644 50 0 IDAARN COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000025066729 557194277 /nfs/dbraw/zinc/19/42/77/557194277.db2.gz NRPCESUPFDAEIF-INIZCTEOSA-N 0 0 439.516 1.888 50 0 IDAARN CCCC1N=NC(=S)N1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000025082735 557194907 /nfs/dbraw/zinc/19/49/07/557194907.db2.gz XLUHJIXCWLVONB-UHFFFAOYSA-N 0 0 439.563 1.487 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(F)cc1 ZINC000100877427 557196189 /nfs/dbraw/zinc/19/61/89/557196189.db2.gz WAESZQLMJUJYCR-UZYVYHOESA-N 0 0 437.474 1.794 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)C1CCCCC1 ZINC000100877520 557197685 /nfs/dbraw/zinc/19/76/85/557197685.db2.gz OYSAQOFEDMAWFB-ZZEZOPTASA-N 0 0 425.532 1.921 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(Cn3ccnc3)c2)c1 ZINC000025174759 557198658 /nfs/dbraw/zinc/19/86/58/557198658.db2.gz FTKVUJXKHYIWJV-UHFFFAOYSA-N 0 0 443.529 1.762 50 0 IDAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1=O ZINC000025223340 557200058 /nfs/dbraw/zinc/20/00/58/557200058.db2.gz BPYYJUSFUZLVHV-OWJWWREXSA-N 0 0 449.463 1.436 50 0 IDAARN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CS2 ZINC000025274495 557202151 /nfs/dbraw/zinc/20/21/51/557202151.db2.gz PUTQAIGTRMGAER-YJBOKZPZSA-N 0 0 443.978 1.627 50 0 IDAARN CN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000072241358 557206578 /nfs/dbraw/zinc/20/65/78/557206578.db2.gz NYUVNWMAWSUDGE-MOPGFXCFSA-N 0 0 431.876 1.816 50 0 IDAARN CN1C(=O)CO[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241357 557206731 /nfs/dbraw/zinc/20/67/31/557206731.db2.gz NYUVNWMAWSUDGE-RBUKOAKNSA-N 0 0 431.876 1.816 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000011594446 557206874 /nfs/dbraw/zinc/20/68/74/557206874.db2.gz MATCZLDFKFAQQD-UHFFFAOYSA-N 0 0 443.831 1.907 50 0 IDAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCN(CCO)CC1 ZINC000025424929 557209288 /nfs/dbraw/zinc/20/92/88/557209288.db2.gz APYFTMYEABLGQR-UHFFFAOYSA-N 0 0 429.970 1.655 50 0 IDAARN NC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccs3)c2=O)cc1 ZINC000011613204 557209284 /nfs/dbraw/zinc/20/92/84/557209284.db2.gz HTBGLXLMORZVME-UHFFFAOYSA-N 0 0 435.465 1.406 50 0 IDAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(C(=O)c2ccco2)CC1 ZINC000011613625 557209514 /nfs/dbraw/zinc/20/95/14/557209514.db2.gz QXKHVUUCVSLUBK-CQSZACIVSA-N 0 0 428.514 1.737 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)NCc3cccc(OC)c3)c(=O)n3c2CCCC3)no1 ZINC000169763863 557211279 /nfs/dbraw/zinc/21/12/79/557211279.db2.gz GDPKABPQOHFQDO-UHFFFAOYSA-N 0 0 439.472 1.284 50 0 IDAARN COc1ccc(CNC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)cc1 ZINC000169763914 557211302 /nfs/dbraw/zinc/21/13/02/557211302.db2.gz CWRVFAGDGBYLAD-UHFFFAOYSA-N 0 0 425.445 1.030 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)n3c2CCCC3)no1 ZINC000169763935 557211306 /nfs/dbraw/zinc/21/13/06/557211306.db2.gz RVOZZRWEZHXDIY-UHFFFAOYSA-N 0 0 425.445 1.606 50 0 IDAARN O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000025531720 557213104 /nfs/dbraw/zinc/21/31/04/557213104.db2.gz HDNQAVCPYCKIRA-UHFFFAOYSA-N 0 0 438.473 1.755 50 0 IDAARN COC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)[C@@H]1COc2ccccc2O1)OCCO3 ZINC000101035406 557214884 /nfs/dbraw/zinc/21/48/84/557214884.db2.gz WGRQDKBVCMEGCH-NFFVOIMASA-N 0 0 442.449 1.914 50 0 IDAARN C=CC(=O)N1CCN(C(=O)CNc2cc(I)c(Cl)cc2O)CC1 ZINC000097756593 557223778 /nfs/dbraw/zinc/22/37/78/557223778.db2.gz JFIFBWVNHLXJFY-UHFFFAOYSA-N 0 0 449.676 1.919 50 0 in-vitro IDAARN O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1)N1CCCC1 ZINC000025747638 557224193 /nfs/dbraw/zinc/22/41/93/557224193.db2.gz DKPCUFQHMSUOML-UHFFFAOYSA-N 0 0 436.559 1.377 50 0 IDAARN O=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1CC1 ZINC000010781368 557224692 /nfs/dbraw/zinc/22/46/92/557224692.db2.gz MRSIEIYUZAECDS-UHFFFAOYSA-N 0 0 425.688 1.203 50 0 IDAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 ZINC000072301579 557226279 /nfs/dbraw/zinc/22/62/79/557226279.db2.gz AFZQCQPMBUTQSC-UGSOOPFHSA-N 0 0 425.489 1.183 50 0 IDAARN C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC(F)(F)F ZINC000010930725 557226419 /nfs/dbraw/zinc/22/64/19/557226419.db2.gz IZNWXACPWBDSTR-SNVBAGLBSA-N 0 0 442.387 1.070 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)c1C ZINC000011105526 557226772 /nfs/dbraw/zinc/22/67/72/557226772.db2.gz QCGARBZXRRXYGP-LLVKDONJSA-N 0 0 438.458 1.502 50 0 IDAARN O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1 ZINC000018021982 557227360 /nfs/dbraw/zinc/22/73/60/557227360.db2.gz GEUXJOUPTCNTDK-WOJBJXKFSA-N 0 0 438.528 1.922 50 0 IDAARN COc1ccccc1OC[C@H](O)Cn1c2ccccc2n(CCN2CCOCC2)c1=N ZINC000000809650 557228847 /nfs/dbraw/zinc/22/88/47/557228847.db2.gz DOXBCNGHOKZNIB-GOSISDBHSA-N 0 0 426.517 1.703 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c2ccc(C)cc2)cc1 ZINC000018032221 557230662 /nfs/dbraw/zinc/23/06/62/557230662.db2.gz SYCFMQUQEHDYDY-UHFFFAOYSA-N 0 0 426.469 1.940 50 0 IDAARN CCC(=O)N1CCN(C(=O)c2cn(CCOC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000011666205 557231846 /nfs/dbraw/zinc/23/18/46/557231846.db2.gz CANQNSGFFYZHBM-UHFFFAOYSA-N 0 0 437.500 1.480 50 0 IDAARN CCOC(=O)C(NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)C(=O)OCC ZINC000025993040 557231905 /nfs/dbraw/zinc/23/19/05/557231905.db2.gz DZAYWSDBDRUWAO-LLVKDONJSA-N 0 0 441.278 1.413 50 0 IDAARN CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 ZINC000072260163 557234584 /nfs/dbraw/zinc/23/45/84/557234584.db2.gz FSZDWIBJIBSFMH-UHFFFAOYSA-N 0 0 430.896 1.184 50 0 IDAARN COc1cccc(C(=O)NCCNC(=O)NCCCS(=O)(=O)Cc2ccccc2)c1 ZINC000072261190 557235727 /nfs/dbraw/zinc/23/57/27/557235727.db2.gz DAEXQDZYTZQZMQ-UHFFFAOYSA-N 0 0 433.530 1.729 50 0 IDAARN CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 ZINC000098213193 557236626 /nfs/dbraw/zinc/23/66/26/557236626.db2.gz RIEWGNJZTOULFF-UHFFFAOYSA-N 0 0 439.447 1.877 50 0 IDAARN COc1ccccc1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000100056809 557239144 /nfs/dbraw/zinc/23/91/44/557239144.db2.gz IGBYQUQFJOOTPH-GOSISDBHSA-N 0 0 429.498 1.334 50 0 IDAARN CN1CCc2c(CNC(=O)COc3ccc4c(c3)OCO4)c3c(c(O)c2C1=O)OCO3 ZINC000604405930 557239276 /nfs/dbraw/zinc/23/92/76/557239276.db2.gz XETHPSRULPUZBZ-UHFFFAOYSA-N 0 0 428.397 1.173 50 0 biogenic IDAARN COc1ccc(CNC(=O)C[C@@H]2NC(=O)N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000604406028 557239616 /nfs/dbraw/zinc/23/96/16/557239616.db2.gz YTRCLCVJZHQZDM-KRWDZBQOSA-N 0 0 427.457 1.839 50 0 biogenic IDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cc(OC)ccc3OC)C2=O)cc1 ZINC000026394306 557240356 /nfs/dbraw/zinc/24/03/56/557240356.db2.gz RIMIXZQRXIVMIQ-QFIPXVFZSA-N 0 0 427.457 1.796 50 0 IDAARN CCOC(=O)c1cnc(S[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)nc1N ZINC000100118913 557241428 /nfs/dbraw/zinc/24/14/28/557241428.db2.gz VSWQCNCIVVEKGA-CQSZACIVSA-N 0 0 432.458 1.677 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000018151419 557243582 /nfs/dbraw/zinc/24/35/82/557243582.db2.gz SYPFTQVBZODXGQ-UHFFFAOYSA-N 0 0 443.525 1.986 50 0 IDAARN CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(c4cc(-n5ccnc5)ncn4)C3)nc21 ZINC000390828210 557243805 /nfs/dbraw/zinc/24/38/05/557243805.db2.gz PLVQJNIUFBUTLO-ZDUSSCGKSA-N 0 0 439.501 1.787 50 0 IDAARN Cn1c2nc(NCCc3ccccc3)n(CC(=O)Nc3ccccc3)c2c(=O)n(C)c1=O ZINC000013990343 557243997 /nfs/dbraw/zinc/24/39/97/557243997.db2.gz SXZDNKAPLDJDGQ-UHFFFAOYSA-N 0 0 432.484 1.727 50 0 IDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2s1 ZINC000018186597 557246569 /nfs/dbraw/zinc/24/65/69/557246569.db2.gz VMIPUEDJWSBEJR-GFCCVEGCSA-N 0 0 427.573 1.540 50 0 IDAARN COc1ccc(OCC(=O)NCc2c3c(c(OC)c4c2CCN(C)C4=O)OCO3)cc1 ZINC000604404568 557247619 /nfs/dbraw/zinc/24/76/19/557247619.db2.gz DPSGXKIYYYAROK-UHFFFAOYSA-N 0 0 428.441 1.756 50 0 biogenic IDAARN COc1ccc(C(=O)NCc2c3c(c(OC)c4c2CCN(C)C4=O)OCO3)c(OC)c1 ZINC000604404844 557248161 /nfs/dbraw/zinc/24/81/61/557248161.db2.gz SWOOHPPAXRUUMV-UHFFFAOYSA-N 0 0 428.441 1.999 50 0 biogenic IDAARN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026844544 557249660 /nfs/dbraw/zinc/24/96/60/557249660.db2.gz LYKGACGRAZBFIW-PKOBYXMFSA-N 0 0 430.549 1.980 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)CC2)cc1 ZINC000018229316 557253339 /nfs/dbraw/zinc/25/33/39/557253339.db2.gz DDVYOWJWSUQRHB-UHFFFAOYSA-N 0 0 444.557 1.975 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000390832270 557257170 /nfs/dbraw/zinc/25/71/70/557257170.db2.gz YHSJQRCPDLGMQY-UHFFFAOYSA-N 0 0 432.406 1.991 50 0 IDAARN Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000000812629 557257210 /nfs/dbraw/zinc/25/72/10/557257210.db2.gz NIWRXFOVBACSPW-UHFFFAOYSA-N 0 0 435.579 1.766 50 0 IDAARN O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000027142043 557257833 /nfs/dbraw/zinc/25/78/33/557257833.db2.gz YMCCWRIYLGNOJM-INIZCTEOSA-N 0 0 428.445 1.480 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ncccc4c3=O)CC2)cc1 ZINC000390831810 557258782 /nfs/dbraw/zinc/25/87/82/557258782.db2.gz VEABYHYVHWHVQA-UHFFFAOYSA-N 0 0 444.469 1.310 50 0 IDAARN COCCNC(=O)c1cc(Br)c(C(=O)NCCOC)cc1Br ZINC000027337364 557260515 /nfs/dbraw/zinc/26/05/15/557260515.db2.gz CPLICXBCUOMBSR-UHFFFAOYSA-N 0 0 438.116 1.964 50 0 IDAARN O=C(NCc1ccc(N2CCOCC2)nc1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000027342632 557260535 /nfs/dbraw/zinc/26/05/35/557260535.db2.gz PZMGDXKLYLJQFL-NRFANRHFSA-N 0 0 425.533 1.791 50 0 IDAARN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCc3n[nH]c(=S)n3C)cc(C(C)C)nc21 ZINC000072272121 557265359 /nfs/dbraw/zinc/26/53/59/557265359.db2.gz AGTQZIVYRWIERE-UHFFFAOYSA-N 0 0 445.549 1.628 50 0 IDAARN CCOC(=O)C1=C(CN2C(=O)c3ccccc3S2(=O)=O)NC(=O)N[C@@H]1c1ccco1 ZINC000027670736 557270989 /nfs/dbraw/zinc/27/09/89/557270989.db2.gz TXRVYMOWGFLAMX-MRXNPFEDSA-N 0 0 431.426 1.295 50 0 IDAARN CCCNC(=O)CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000022921115 557273307 /nfs/dbraw/zinc/27/33/07/557273307.db2.gz LXRQFUPFAJZPIB-QFIPXVFZSA-N 0 0 444.601 1.850 50 0 IDAARN CCOC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000101345557 557279828 /nfs/dbraw/zinc/27/98/28/557279828.db2.gz NCWSLSXJCOBKAP-ITZAQCPESA-N 0 0 443.522 1.646 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@@H]2c3ccccc3N(C(C)C)C2=O)cc1OC ZINC000101431940 557285393 /nfs/dbraw/zinc/28/53/93/557285393.db2.gz GIUJARYHFUTRAN-HXUWFJFHSA-N 0 0 425.485 1.975 50 0 IDAARN Cn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)NCCc1c[nH]c3ccc(Cl)cc13)C(=O)N2 ZINC000101478855 557287815 /nfs/dbraw/zinc/28/78/15/557287815.db2.gz VUPYGSAPQYHJNJ-ZDUSSCGKSA-N 0 0 429.864 1.003 50 0 IDAARN COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000101543863 557291126 /nfs/dbraw/zinc/29/11/26/557291126.db2.gz YZQQLTKAYSDCTD-DOEOUOAPSA-N 0 0 436.461 1.146 50 0 IDAARN Cc1cc(C)[nH+]c([N-][C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccco2)n1 ZINC000101682066 557295046 /nfs/dbraw/zinc/29/50/46/557295046.db2.gz IPLRTQLUYBDNRR-QGZVFWFLSA-N 0 0 436.350 1.407 50 0 IDAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1=O ZINC000014170469 557313411 /nfs/dbraw/zinc/31/34/11/557313411.db2.gz XEXQEPVZELRHRQ-NRFANRHFSA-N 0 0 427.461 1.130 50 0 IDAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCOCC1 ZINC000014184341 557313859 /nfs/dbraw/zinc/31/38/59/557313859.db2.gz GIDSFOZBXIDSPC-HNNXBMFYSA-N 0 0 426.535 1.443 50 0 IDAARN O=C(CCN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)N1CCOCC1 ZINC000032932798 557318470 /nfs/dbraw/zinc/31/84/70/557318470.db2.gz PPWFKBRXOCDQMD-UHFFFAOYSA-N 0 0 436.361 1.549 50 0 IDAARN CC[C@@H](C)n1nnc2cc(S(=O)(=O)N3CCC(C(=O)NCCCOC)CC3)ccc21 ZINC000033023213 557321348 /nfs/dbraw/zinc/32/13/48/557321348.db2.gz RSZLPYAQXPUYOI-OAHLLOKOSA-N 0 0 437.566 1.956 50 0 IDAARN C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021393 557321358 /nfs/dbraw/zinc/32/13/58/557321358.db2.gz BFCUKBYAUHCAJF-LSDHHAIUSA-N 0 0 447.513 1.759 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)c1 ZINC000102472213 557324367 /nfs/dbraw/zinc/32/43/67/557324367.db2.gz QGARGLXBBJAAID-HDICACEKSA-N 0 0 445.541 1.088 50 0 IDAARN O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131471 557325517 /nfs/dbraw/zinc/32/55/17/557325517.db2.gz ALPXGIKCKLKQRJ-UHFFFAOYSA-N 0 0 433.983 1.140 50 0 IDAARN O=C(CCCN1C(=O)CNC1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000014228390 557326647 /nfs/dbraw/zinc/32/66/47/557326647.db2.gz YVDFDFOKSJMKPO-UHFFFAOYSA-N 0 0 444.513 1.005 50 0 IDAARN CCCn1c(N)c(C(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)c(=O)n(C)c1=O ZINC000014244591 557328452 /nfs/dbraw/zinc/32/84/52/557328452.db2.gz CMOWCLPTQZCRPW-UHFFFAOYSA-N 0 0 445.472 1.058 50 0 IDAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000014246426 557329355 /nfs/dbraw/zinc/32/93/55/557329355.db2.gz UOQSJQMAYSBJQX-UHFFFAOYSA-N 0 0 440.525 1.536 50 0 IDAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000023330782 557342414 /nfs/dbraw/zinc/34/24/14/557342414.db2.gz NMMMWGGPWNIGLZ-UHFFFAOYSA-N 0 0 436.516 1.820 50 0 IDAARN C[C@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000024973323 557342637 /nfs/dbraw/zinc/34/26/37/557342637.db2.gz SUMKUPUXVCIVSP-LLVKDONJSA-N 0 0 435.333 1.240 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)COc2ccc(C(C)=O)cc2)c(=O)[nH]c1=O ZINC000014624320 557345615 /nfs/dbraw/zinc/34/56/15/557345615.db2.gz PWIJDJQTOZQGOV-UHFFFAOYSA-N 0 0 432.477 1.180 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(N3CCCC3=O)cc2)c(=O)[nH]c1=O ZINC000014624302 557345633 /nfs/dbraw/zinc/34/56/33/557345633.db2.gz LVBXEQDYPIJAKR-UHFFFAOYSA-N 0 0 443.504 1.339 50 0 IDAARN C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000102591876 557356923 /nfs/dbraw/zinc/35/69/23/557356923.db2.gz CWMRTBWTJWTHNW-SNRMKQJTSA-N 0 0 443.500 1.569 50 0 IDAARN O=C1C[C@H](N2CCC(NS(=O)(=O)c3cccs3)CC2)C(=O)N1Cc1ccccc1 ZINC000102616753 557359352 /nfs/dbraw/zinc/35/93/52/557359352.db2.gz GMEBCTAJIFVAGZ-KRWDZBQOSA-N 0 0 433.555 1.819 50 0 IDAARN O=C(CSc1nnnn1Cc1ccco1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000011682933 557366168 /nfs/dbraw/zinc/36/61/68/557366168.db2.gz BYIKQXCLCWIOOC-UHFFFAOYSA-N 0 0 427.490 1.783 50 0 IDAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccc(Cl)cn12 ZINC000023704726 557371862 /nfs/dbraw/zinc/37/18/62/557371862.db2.gz SEMJNJUDZXSELH-UHFFFAOYSA-N 0 0 436.896 1.994 50 0 IDAARN CCN(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000023865562 557376413 /nfs/dbraw/zinc/37/64/13/557376413.db2.gz XCYPTSZAFDIDIV-IBGZPJMESA-N 0 0 427.526 1.949 50 0 IDAARN CC(C)(C)n1ncc2c1ncn(CCC(=O)N1CCN(C(=O)c3ccco3)CC1)c2=O ZINC000011693259 557390890 /nfs/dbraw/zinc/39/08/90/557390890.db2.gz NPSKXVIONPDPQN-UHFFFAOYSA-N 0 0 426.477 1.316 50 0 IDAARN COc1ccccc1C(=O)NCCc1nnc(SCC(=O)Nc2nccs2)n1C ZINC000013858113 557391545 /nfs/dbraw/zinc/39/15/45/557391545.db2.gz BWXNKGBOWNPQNC-UHFFFAOYSA-N 0 0 432.531 1.984 50 0 IDAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000060950891 557398346 /nfs/dbraw/zinc/39/83/46/557398346.db2.gz QJARPNOFBHAIES-UHFFFAOYSA-N 0 0 428.495 1.950 50 0 IDAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000102858473 557399141 /nfs/dbraw/zinc/39/91/41/557399141.db2.gz HJZJGNUXRCXQFE-FHWLQOOXSA-N 0 0 426.469 1.187 50 0 IDAARN CCCn1c(N)c(C(=O)CNc2ccc(I)cc2)c(=O)[nH]c1=O ZINC000033471420 557401164 /nfs/dbraw/zinc/40/11/64/557401164.db2.gz GRJMBYQHYGVQRV-UHFFFAOYSA-N 0 0 428.230 1.428 50 0 IDAARN CCC[C@H](C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 ZINC000004893617 557401955 /nfs/dbraw/zinc/40/19/55/557401955.db2.gz ANPZIIYGNUHSSW-HNNXBMFYSA-N 0 0 425.551 1.999 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102868316 557404604 /nfs/dbraw/zinc/40/46/04/557404604.db2.gz IXVNDXKDVOKAKG-IRXDYDNUSA-N 0 0 433.530 1.391 50 0 IDAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102957620 557413642 /nfs/dbraw/zinc/41/36/42/557413642.db2.gz XYSBCJWUHFEGMT-KDURUIRLSA-N 0 0 440.500 1.773 50 0 IDAARN O=S(=O)(c1cc(Br)ccc1Br)N1CCN(CCO)CC1 ZINC000025748911 557417793 /nfs/dbraw/zinc/41/77/93/557417793.db2.gz QMZBMVAGAPPWTI-UHFFFAOYSA-N 0 0 428.146 1.510 50 0 IDAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000024489123 557433856 /nfs/dbraw/zinc/43/38/56/557433856.db2.gz LASSRGJTJHVUCW-UHFFFAOYSA-N 0 0 426.498 1.261 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000103428351 557437205 /nfs/dbraw/zinc/43/72/05/557437205.db2.gz ZTFCDTCGMMSZJI-LUVWLHFXSA-N 0 0 427.457 1.855 50 0 IDAARN O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 ZINC000104658898 557457281 /nfs/dbraw/zinc/45/72/81/557457281.db2.gz GEUXJOUPTCNTDK-BGYRXZFFSA-N 0 0 438.528 1.922 50 0 IDAARN COc1cc(NC(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)cc(OC)c1OC ZINC000014813279 557458356 /nfs/dbraw/zinc/45/83/56/557458356.db2.gz IKVLVTQWYIUBPV-UHFFFAOYSA-N 0 0 441.492 1.150 50 0 IDAARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(=O)n(C)n1 ZINC000014864089 557507764 /nfs/dbraw/zinc/50/77/64/557507764.db2.gz HENMHXHQGJYQRC-UHFFFAOYSA-N 0 0 434.518 1.994 50 0 IDAARN NC(=O)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000106014677 557512648 /nfs/dbraw/zinc/51/26/48/557512648.db2.gz RFKOLPRGCFYIKK-ONFVETCGSA-N 0 0 440.459 1.640 50 0 IDAARN O=C(NCCc1ccc(F)cc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030293 557523718 /nfs/dbraw/zinc/52/37/18/557523718.db2.gz MQNVFYLXXSSZSR-SFHVURJKSA-N 0 0 425.503 1.759 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000012030235 557523774 /nfs/dbraw/zinc/52/37/74/557523774.db2.gz CNGLGZASGFTKSB-MRXNPFEDSA-N 0 0 437.495 1.306 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)N(C)C ZINC000106901414 557532931 /nfs/dbraw/zinc/53/29/31/557532931.db2.gz PISDWBGGTACVOA-RVKKMQEKSA-N 0 0 425.551 1.327 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)N(C)C ZINC000106901419 557533065 /nfs/dbraw/zinc/53/30/65/557533065.db2.gz PISDWBGGTACVOA-IIDMSEBBSA-N 0 0 425.551 1.327 50 0 IDAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2SC(N)=C3C(=O)Oc4ccccc4[C@@H]3[C@@H]2C1=O ZINC000107165392 557534735 /nfs/dbraw/zinc/53/47/35/557534735.db2.gz VDJYLKBQDGNOHS-HLLBOEOZSA-N 0 0 436.445 1.951 50 0 IDAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@H]1CO ZINC000107539891 557536181 /nfs/dbraw/zinc/53/61/81/557536181.db2.gz WJHCSFXGXZPMJZ-MFKMUULPSA-N 0 0 426.354 1.634 50 0 IDAARN COC(=O)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1cccnc1 ZINC000108169772 557541699 /nfs/dbraw/zinc/54/16/99/557541699.db2.gz MUVXZKLWJNOJTN-DOTOQJQBSA-N 0 0 437.543 1.883 50 0 IDAARN Nc1nc(SCC(=O)NC[C@@H]2CCCO2)ncc1S(=O)(=O)c1ccc(Cl)s1 ZINC000045925146 557549800 /nfs/dbraw/zinc/54/98/00/557549800.db2.gz USYBCJGDBAECFR-VIFPVBQESA-N 0 0 448.979 1.994 50 0 IDAARN Nc1nc(SCC(=O)NC[C@H]2CCCO2)ncc1S(=O)(=O)c1ccc(Cl)s1 ZINC000045925150 557549968 /nfs/dbraw/zinc/54/99/68/557549968.db2.gz USYBCJGDBAECFR-SECBINFHSA-N 0 0 448.979 1.994 50 0 IDAARN Cc1ccc(-n2nc(-c3noc(C(=O)NCc4ccc(F)cc4)n3)c(=O)n(C)c2=O)cc1 ZINC000045946592 557551076 /nfs/dbraw/zinc/55/10/76/557551076.db2.gz WABUNHRLRILMLO-UHFFFAOYSA-N 0 0 436.403 1.359 50 0 IDAARN Cc1ccc(CCNC(=O)c2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)cc1 ZINC000045945824 557554271 /nfs/dbraw/zinc/55/42/71/557554271.db2.gz UYLLJRQCYUFDAU-UHFFFAOYSA-N 0 0 432.440 1.262 50 0 IDAARN Cn1c(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc2cc(Cl)ccc21 ZINC000040154133 557705420 /nfs/dbraw/zinc/70/54/20/557705420.db2.gz VQFRWNSIVMPOKI-UHFFFAOYSA-N 0 0 437.909 1.425 50 0 IDAARN COc1ccccc1-c1ccc(=O)n(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1 ZINC000040287153 557716059 /nfs/dbraw/zinc/71/60/59/557716059.db2.gz DXPIBZRNIUARGY-INIZCTEOSA-N 0 0 433.530 1.591 50 0 IDAARN O=C(C[NH+]1CCC(n2cc([N-]S(=O)(=O)C(F)F)cn2)CC1)NCc1ccccc1 ZINC000225388680 557717628 /nfs/dbraw/zinc/71/76/28/557717628.db2.gz FESMJZRSNJELEJ-UHFFFAOYSA-N 0 0 427.477 1.801 50 0 IDAARN CCOC(=O)C1(COC)CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 ZINC000225443676 557723383 /nfs/dbraw/zinc/72/33/83/557723383.db2.gz MZPUOZPNQVIYIU-UHFFFAOYSA-N 0 0 438.546 1.807 50 0 IDAARN COC(CN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)OC ZINC000040450431 557734198 /nfs/dbraw/zinc/73/41/98/557734198.db2.gz FSFLIOYACYEAID-UHFFFAOYSA-N 0 0 447.351 1.988 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCOc3ccc(C(=O)N4CCOCC4)cc3C2)cc1 ZINC000040455467 557737809 /nfs/dbraw/zinc/73/78/09/557737809.db2.gz JKQNGKOHKBHBLT-UHFFFAOYSA-N 0 0 444.509 1.945 50 0 IDAARN NC(=O)CNC(=O)c1cccc(OC(=O)Cc2ccccc2I)c1 ZINC000225693055 557764914 /nfs/dbraw/zinc/76/49/14/557764914.db2.gz SUTVUQBVZZBXKM-UHFFFAOYSA-N 0 0 438.221 1.654 50 0 IDAARN CN(CC(=O)NCc1ncnn1C(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000225718391 557767865 /nfs/dbraw/zinc/76/78/65/557767865.db2.gz QVZPSLWYBTYUIS-UHFFFAOYSA-N 0 0 444.355 1.733 50 0 IDAARN O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1-n1cnnn1 ZINC000225722903 557768727 /nfs/dbraw/zinc/76/87/27/557768727.db2.gz NIEXZBKYWHGOTB-QGZVFWFLSA-N 0 0 438.463 1.249 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCCCO[C@@H]2CCCCO2)cc1C ZINC000225842597 557784145 /nfs/dbraw/zinc/78/41/45/557784145.db2.gz PIBUITDDZROIMQ-YSIASYRMSA-N 0 0 441.546 1.904 50 0 IDAARN CC(=O)N(CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000842696 557803395 /nfs/dbraw/zinc/80/33/95/557803395.db2.gz ZMYVXNQBLJFNRP-SFHVURJKSA-N 0 0 449.916 1.711 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850881 557830845 /nfs/dbraw/zinc/83/08/45/557830845.db2.gz JSUGBGWTSFJOGI-QGZVFWFLSA-N 0 0 435.484 1.784 50 0 biogenic IDAARN O=C([C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCC1 ZINC000000859444 557831572 /nfs/dbraw/zinc/83/15/72/557831572.db2.gz CFGJWTJLHBJPQJ-OAQYLSRUSA-N 0 0 438.480 1.916 50 0 IDAARN CN1CC[C@@H](NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)[C@@H]1c1ccc(Cl)cc1 ZINC000229984828 557834810 /nfs/dbraw/zinc/83/48/10/557834810.db2.gz SMMMDIMMLNYZRL-SJORKVTESA-N 0 0 427.892 1.461 50 0 IDAARN C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000018813069 557860472 /nfs/dbraw/zinc/86/04/72/557860472.db2.gz KASOSUDXGITZSA-DGCLKSJQSA-N 0 0 444.893 1.215 50 0 IDAARN C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000018813075 557860491 /nfs/dbraw/zinc/86/04/91/557860491.db2.gz KASOSUDXGITZSA-YPMHNXCESA-N 0 0 444.893 1.215 50 0 IDAARN CC(C)[C@@H](C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 ZINC000002648627 562929207 /nfs/dbraw/zinc/92/92/07/562929207.db2.gz BIVZPZRNRSYTTI-OAHLLOKOSA-N 0 0 425.551 1.855 50 0 IDAARN CCCn1c(N)c(N(C)C)c(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O ZINC000002653751 562929422 /nfs/dbraw/zinc/92/94/22/562929422.db2.gz VLTBDCMXXRHWLR-UHFFFAOYSA-N 0 0 429.399 1.606 50 0 IDAARN O=C(OCn1nnc2ccccc2c1=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002657669 562929544 /nfs/dbraw/zinc/92/95/44/562929544.db2.gz OZGNMJOYIURVJU-UHFFFAOYSA-N 0 0 434.499 1.455 50 0 IDAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000002874710 562930350 /nfs/dbraw/zinc/93/03/50/562930350.db2.gz BAUDNJBRBHGRBN-UHFFFAOYSA-N 0 0 434.470 1.496 50 0 IDAARN CS(=O)(=O)NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000003029584 562931904 /nfs/dbraw/zinc/93/19/04/562931904.db2.gz CXQVBPCSGYTPIM-UHFFFAOYSA-N 0 0 438.346 1.848 50 0 IDAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCO)Cc1ccccc1 ZINC000003217644 562932917 /nfs/dbraw/zinc/93/29/17/562932917.db2.gz XIASMMKYOYCCEE-DHZHZOJOSA-N 0 0 430.526 1.742 50 0 IDAARN Cc1ccc(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)cc1 ZINC000003273628 562933548 /nfs/dbraw/zinc/93/35/48/562933548.db2.gz YHFYXIRUWAXQFG-FZKQIMNGSA-N 0 0 440.905 1.858 50 0 IDAARN CC(C)Cn1c(SCC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003318683 562934155 /nfs/dbraw/zinc/93/41/55/562934155.db2.gz ZBIWTIHQADGJAP-UHFFFAOYSA-N 0 0 439.563 1.199 50 0 IDAARN COc1ccc(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1OC ZINC000003337321 562934363 /nfs/dbraw/zinc/93/43/63/562934363.db2.gz CCJILVCVZKIDRF-ZHACJKMWSA-N 0 0 434.470 1.776 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 ZINC000003333216 562934389 /nfs/dbraw/zinc/93/43/89/562934389.db2.gz KAOAMWDKURQKDL-UHFFFAOYSA-N 0 0 431.898 1.516 50 0 IDAARN CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000003345313 562934520 /nfs/dbraw/zinc/93/45/20/562934520.db2.gz HBZVCEFRKZBHTJ-UHFFFAOYSA-N 0 0 435.477 1.239 50 0 IDAARN CCN(C(=O)COC(=O)c1cc(OC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000003365062 562934896 /nfs/dbraw/zinc/93/48/96/562934896.db2.gz NLVGNGYTVXWLAH-LLVKDONJSA-N 0 0 434.308 1.650 50 0 IDAARN CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000003405932 562935288 /nfs/dbraw/zinc/93/52/88/562935288.db2.gz PAIZERVKCBUGRK-UHFFFAOYSA-N 0 0 449.348 1.974 50 0 IDAARN CCCn1c(N)c(N(CCOC)C(=O)C=Cc2ccc(C(=O)OC)cc2)c(=O)[nH]c1=O ZINC000003409773 562935314 /nfs/dbraw/zinc/93/53/14/562935314.db2.gz ZGRQAQNIECKFBY-JXMROGBWSA-N 0 0 430.461 1.008 50 0 IDAARN Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)NC[C@@H]1CCCO1 ZINC000003446563 562935962 /nfs/dbraw/zinc/93/59/62/562935962.db2.gz HJXBDACEGUNSHR-ZDUSSCGKSA-N 0 0 442.339 1.721 50 0 IDAARN COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)CNC(C)=O)cc1 ZINC000003614673 562936769 /nfs/dbraw/zinc/93/67/69/562936769.db2.gz ICPMSEZRJTYYRX-NRFANRHFSA-N 0 0 427.457 1.741 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccccc1 ZINC000003641292 562937207 /nfs/dbraw/zinc/93/72/07/562937207.db2.gz UFCNPCMLOACNPX-IBGZPJMESA-N 0 0 448.332 1.805 50 0 IDAARN CCOC(=O)CSc1nnc(-c2nnc(SCC(=O)OCC)n2CC)n1CC ZINC000004034520 562940868 /nfs/dbraw/zinc/94/08/68/562940868.db2.gz VRARVGXEOCXYDW-UHFFFAOYSA-N 0 0 428.540 1.887 50 0 IDAARN CCN(CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 ZINC000004057437 562941393 /nfs/dbraw/zinc/94/13/93/562941393.db2.gz OIJATIRPYZUOGW-UHFFFAOYSA-N 0 0 435.528 1.936 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC[C@H]3CCCO3)c3ccccc3c2=O)cc1 ZINC000004077748 562941542 /nfs/dbraw/zinc/94/15/42/562941542.db2.gz NPOASVOGBQCCED-QGZVFWFLSA-N 0 0 436.468 1.419 50 0 IDAARN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)sc2n1 ZINC000004078461 562941603 /nfs/dbraw/zinc/94/16/03/562941603.db2.gz LLOLPHGZUCTBJH-AWEZNQCLSA-N 0 0 427.486 1.721 50 0 IDAARN CCN(C(=O)CSc1nnnn1-c1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000004195138 562942538 /nfs/dbraw/zinc/94/25/38/562942538.db2.gz BLZUAMZJQRRWHB-CYBMUJFWSA-N 0 0 425.536 1.107 50 0 IDAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000006577015 562947409 /nfs/dbraw/zinc/94/74/09/562947409.db2.gz VEAXSRUATSGRPY-UHFFFAOYSA-N 0 0 444.492 1.478 50 0 aggregator IDAARN CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1 ZINC000006577951 562947939 /nfs/dbraw/zinc/94/79/39/562947939.db2.gz DDCQCKZBSJRRSG-MRXNPFEDSA-N 0 0 432.502 1.536 50 0 aggregator IDAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(C[C@H]3CCCO3)c2=O)c(OC)c1 ZINC000008593464 562952683 /nfs/dbraw/zinc/95/26/83/562952683.db2.gz QUXUWFPYKBTPME-MRXNPFEDSA-N 0 0 439.468 1.998 50 0 IDAARN COc1ccc(OC)c(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000008598830 562954448 /nfs/dbraw/zinc/95/44/48/562954448.db2.gz LJIFEZHAPRIULR-UHFFFAOYSA-N 0 0 434.470 1.629 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cc2oc1=O ZINC000008603796 562956102 /nfs/dbraw/zinc/95/61/02/562956102.db2.gz YVCIMVXQYCCCRH-UHFFFAOYSA-N 0 0 429.498 1.849 50 0 IDAARN COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000008604260 562956301 /nfs/dbraw/zinc/95/63/01/562956301.db2.gz OTCFLNHSFYXTKB-UHFFFAOYSA-N 0 0 435.458 1.456 50 0 IDAARN CCOC(=O)Cn1c(=O)n(C[C@H]2CCCO2)c2nc(-c3cccc(C)c3)nc(C(N)=O)c21 ZINC000008610636 562958219 /nfs/dbraw/zinc/95/82/19/562958219.db2.gz OLEQHFQLARXIOO-OAHLLOKOSA-N 0 0 439.472 1.409 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000008613168 562959412 /nfs/dbraw/zinc/95/94/12/562959412.db2.gz WIWGVSZPNFKUMZ-UHFFFAOYSA-N 0 0 442.501 1.853 50 0 IDAARN Cc1nc2cc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 ZINC000008670760 562960707 /nfs/dbraw/zinc/96/07/07/562960707.db2.gz HEHSWCMOAIJTPR-INIZCTEOSA-N 0 0 427.482 1.794 50 0 IDAARN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)NC(=O)c1cccn1C ZINC000008684964 562962324 /nfs/dbraw/zinc/96/23/24/562962324.db2.gz RXFNLVWEBKVQJA-MRXNPFEDSA-N 0 0 431.514 1.685 50 0 IDAARN COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000008690847 562963288 /nfs/dbraw/zinc/96/32/88/562963288.db2.gz GRYCXMKNKLYEBT-PKOBYXMFSA-N 0 0 440.456 1.440 50 0 IDAARN Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c1C ZINC000008801931 562964333 /nfs/dbraw/zinc/96/43/33/562964333.db2.gz RVQYBVXFYYDYPY-UHFFFAOYSA-N 0 0 448.545 1.337 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000008861036 562965475 /nfs/dbraw/zinc/96/54/75/562965475.db2.gz QMHXFFHQCFHHNJ-GCJKJVERSA-N 0 0 441.509 1.674 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000008861041 562965502 /nfs/dbraw/zinc/96/55/02/562965502.db2.gz QMHXFFHQCFHHNJ-PGRDOPGGSA-N 0 0 441.509 1.674 50 0 IDAARN O=S(=O)(c1cccc(Br)c1)N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 ZINC000008877805 562965645 /nfs/dbraw/zinc/96/56/45/562965645.db2.gz QLXWEBWSTIXZBH-AWEZNQCLSA-N 0 0 448.408 1.809 50 0 IDAARN O=S(=O)(c1cccc(Br)c1)N1CCN(C(=S)NC[C@H]2CCCO2)CC1 ZINC000008877812 562965675 /nfs/dbraw/zinc/96/56/75/562965675.db2.gz QLXWEBWSTIXZBH-CQSZACIVSA-N 0 0 448.408 1.809 50 0 IDAARN COCCN(C(=O)c1oc2ccccc2c1COC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009125545 562967440 /nfs/dbraw/zinc/96/74/40/562967440.db2.gz BIMGEDMYFNDYNH-UHFFFAOYSA-N 0 0 444.488 1.961 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000009126572 562967521 /nfs/dbraw/zinc/96/75/21/562967521.db2.gz YVPWZVSDTISYAV-UHFFFAOYSA-N 0 0 439.559 1.989 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000009138664 562967754 /nfs/dbraw/zinc/96/77/54/562967754.db2.gz KABVLXVZTSDFCD-OAHLLOKOSA-N 0 0 441.575 1.679 50 0 IDAARN COc1cc(/C=C/C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000009247068 562968436 /nfs/dbraw/zinc/96/84/36/562968436.db2.gz UAZPQRRPVDRJIQ-DIECRNLCSA-N 0 0 433.429 1.499 50 0 IDAARN Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCc2ccc(Cl)cc2)cc1C ZINC000009284685 562968920 /nfs/dbraw/zinc/96/89/20/562968920.db2.gz OSTMWKPXWCQCHC-UHFFFAOYSA-N 0 0 437.949 1.710 50 0 IDAARN C[C@@H](OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1CCCC1 ZINC000009339524 562969379 /nfs/dbraw/zinc/96/93/79/562969379.db2.gz BUVGJSIUAVNLDN-CYBMUJFWSA-N 0 0 428.482 1.451 50 0 IDAARN CCn1cc(C(=O)N[C@@H](C)C(=O)NCCCn2ccnc2)c(=O)c2cc3c(cc21)OCO3 ZINC000009410877 562970316 /nfs/dbraw/zinc/97/03/16/562970316.db2.gz ONVRNZPHUBKLAE-AWEZNQCLSA-N 0 0 439.472 1.271 50 0 IDAARN 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SIITVMGMRMPQQN-WOJBJXKFSA-N 0 0 426.517 1.554 50 0 IDAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@H]1CCCO1 ZINC000056945555 563142810 /nfs/dbraw/zinc/14/28/10/563142810.db2.gz SLGBFKGBWPQNEW-UXHICEINSA-N 0 0 444.507 1.693 50 0 IDAARN CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1 ZINC000068197809 563161140 /nfs/dbraw/zinc/16/11/40/563161140.db2.gz MCIACXAZCBVDEE-CUUWFGFTSA-N 0 0 436.888 1.357 50 0 world IDAARN CCCCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000096305234 563197445 /nfs/dbraw/zinc/19/74/45/563197445.db2.gz MDAWBJRDTCDYMC-UHFFFAOYSA-N 0 0 428.512 1.695 50 0 IDAARN O=C(c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1)N1CCN(c2ccccn2)CC1 ZINC000012030417 568625163 /nfs/dbraw/zinc/62/51/63/568625163.db2.gz KJFIEUZESLVFGP-GOSISDBHSA-N 0 0 449.554 1.005 50 0 IDAARN C[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C ZINC000019076930 568637044 /nfs/dbraw/zinc/63/70/44/568637044.db2.gz OTLGGJKPIWALSS-AGIUHOORSA-N 0 0 440.547 1.596 50 0 IDAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1 ZINC000019077921 568638018 /nfs/dbraw/zinc/63/80/18/568638018.db2.gz QYQRZQRUNLAIGL-HNNXBMFYSA-N 0 0 445.570 1.875 50 0 IDAARN C[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N1CCN(c2ccccn2)CC1 ZINC000019077477 568638517 /nfs/dbraw/zinc/63/85/17/568638517.db2.gz NJXRMKHOTPZFEZ-CYBMUJFWSA-N 0 0 432.531 1.102 50 0 IDAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000025197049 568647294 /nfs/dbraw/zinc/64/72/94/568647294.db2.gz GPCUZVIGYWTURW-CMDGGOBGSA-N 0 0 438.572 1.705 50 0 IDAARN CC[C@@](C)(C(=O)Nc1ccc(OC)cc1)N(Cc1ccco1)C(=O)Cn1nnnc1N ZINC000000973902 568647677 /nfs/dbraw/zinc/64/76/77/568647677.db2.gz LESJINSWEXDALE-FQEVSTJZSA-N 0 0 427.465 1.693 50 0 IDAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)N2C(=O)CCC2=O)sc2c1CCCC2 ZINC000001056428 568654085 /nfs/dbraw/zinc/65/40/85/568654085.db2.gz YKVAZRFFBXEBJU-NSHDSACASA-N 0 0 436.486 1.823 50 0 IDAARN Cc1ccc([C@@H](CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)N2CCOCC2)o1 ZINC000025399433 568655065 /nfs/dbraw/zinc/65/50/65/568655065.db2.gz RNLPYISTLUMYIW-MRXNPFEDSA-N 0 0 441.575 1.545 50 0 IDAARN COC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br ZINC000001093478 568658610 /nfs/dbraw/zinc/65/86/10/568658610.db2.gz YEGSUKPRYDRGMM-RUDMXATFSA-N 0 0 434.040 1.944 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc43)CC2)cc1 ZINC000015172350 568731776 /nfs/dbraw/zinc/73/17/76/568731776.db2.gz FBAMWFTUMIOCMW-UHFFFAOYSA-N 0 0 427.486 1.701 50 0 IDAARN O=C(OC[C@@H]1O[C@@H]2[C@@H](Oc3nc(=O)ccn32)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000202055474 568737137 /nfs/dbraw/zinc/73/71/37/568737137.db2.gz WLLCZAIADALVGH-FRYIKTPZSA-N 0 0 434.404 1.984 50 0 IDAARN COc1ccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000063376380 568739532 /nfs/dbraw/zinc/73/95/32/568739532.db2.gz MAOYCCSILAQNLG-OALUTQOASA-N 0 0 446.525 1.727 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cccc3nsnc32)C1=O ZINC000019107492 568739902 /nfs/dbraw/zinc/73/99/02/568739902.db2.gz PAOHXNNPYDFNSR-HXUWFJFHSA-N 0 0 439.453 1.868 50 0 IDAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)nc2ccsc21 ZINC000019111539 568741864 /nfs/dbraw/zinc/74/18/64/568741864.db2.gz GMMVFKFYMVVNQB-UHFFFAOYSA-N 0 0 448.555 1.496 50 0 IDAARN O=C(COc1ccccc1)N1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000043941732 568743764 /nfs/dbraw/zinc/74/37/64/568743764.db2.gz LVXLULRYJFPDFB-UHFFFAOYSA-N 0 0 427.476 1.876 50 0 IDAARN COc1ccc(F)cc1S(=O)(=O)NCC1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC000043959894 568744489 /nfs/dbraw/zinc/74/44/89/568744489.db2.gz LHXVJAKNQZKEDX-UHFFFAOYSA-N 0 0 437.493 1.364 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)NCC2CCN(C(=O)COc3ccccc3)CC2)CC1 ZINC000043981421 568745011 /nfs/dbraw/zinc/74/50/11/568745011.db2.gz SZZXUJCKPMBOSH-UHFFFAOYSA-N 0 0 437.562 1.092 50 0 IDAARN Cc1cc(=NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159205 568751086 /nfs/dbraw/zinc/75/10/86/568751086.db2.gz DRAPEIYAROKVMC-DLBZAZTESA-N 0 0 432.550 1.235 50 0 IDAARN COc1c2c(c(S(=O)(=O)NCCCc3ccccc3)c3c1C(=O)N(C)CC3)OCO2 ZINC000263585798 568759088 /nfs/dbraw/zinc/75/90/88/568759088.db2.gz MRCTWKADYGWRCU-UHFFFAOYSA-N 0 0 432.498 1.963 50 0 biogenic IDAARN COc1c2c(c(S(=O)(=O)NCc3ccc4c(c3)OCO4)c3c1C(=O)N(C)CC3)OCO2 ZINC000263585316 568759160 /nfs/dbraw/zinc/75/91/60/568759160.db2.gz HGMKECQOUODVIX-UHFFFAOYSA-N 0 0 448.453 1.259 50 0 biogenic IDAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000263586594 568759331 /nfs/dbraw/zinc/75/93/31/568759331.db2.gz WAPOQUUJESQJHV-QAPCUYQASA-N 0 0 432.484 1.966 50 0 biogenic IDAARN O=C(CC1(n2cccc2)CCOCC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000263587504 568760588 /nfs/dbraw/zinc/76/05/88/568760588.db2.gz HOSOBCMJYDYVSR-UHFFFAOYSA-N 0 0 438.594 1.649 50 0 IDAARN COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)c5ccncc5)CC4)c3CO2)cc1 ZINC000263615997 568776303 /nfs/dbraw/zinc/77/63/03/568776303.db2.gz GKFJAKUZIMGCFA-QFIPXVFZSA-N 0 0 434.500 1.911 50 0 IDAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3CO2)cc1 ZINC000263617623 568777237 /nfs/dbraw/zinc/77/72/37/568777237.db2.gz OTOGKFSURLTEBJ-IBGZPJMESA-N 0 0 437.456 1.749 50 0 IDAARN COc1ccc(-c2cc3n(n2)[C@H](NCCc2ccc(S(N)(=O)=O)cc2)CNC3=O)cc1 ZINC000263619094 568777806 /nfs/dbraw/zinc/77/78/06/568777806.db2.gz WVXQEWIWPKBQLX-FQEVSTJZSA-N 0 0 441.513 1.280 50 0 IDAARN CCc1ccc([C@@H](COC)NC(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)o1 ZINC000083825383 568782624 /nfs/dbraw/zinc/78/26/24/568782624.db2.gz GIYCZZRUEWFLHA-OAHLLOKOSA-N 0 0 426.491 1.641 50 0 IDAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4cc(C)[nH]n4)n3n2)cc1OC ZINC000045939246 568783441 /nfs/dbraw/zinc/78/34/41/568783441.db2.gz JWTDDUPSXSQMDF-UHFFFAOYSA-N 0 0 441.473 1.864 50 0 IDAARN COc1ccccc1CNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC ZINC000046024019 568784859 /nfs/dbraw/zinc/78/48/59/568784859.db2.gz UZIHNZNICFTEFE-UHFFFAOYSA-N 0 0 440.499 1.249 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Oc2ncccn2)cc1 ZINC000084012331 568789890 /nfs/dbraw/zinc/78/98/90/568789890.db2.gz LJJJZNXXBZTWCM-CYBMUJFWSA-N 0 0 430.490 1.925 50 0 IDAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016650652 568791249 /nfs/dbraw/zinc/79/12/49/568791249.db2.gz FZZILDYXOJRUMI-ROUUACIJSA-N 0 0 425.485 1.401 50 0 IDAARN COC(=O)c1ccc2c(c1)nc(CN1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C)[nH]c2=O ZINC000084240619 568796603 /nfs/dbraw/zinc/79/66/03/568796603.db2.gz BGRXTCLYAWSEMX-HNNXBMFYSA-N 0 0 445.520 1.350 50 0 IDAARN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1)CC2 ZINC000084286943 568796770 /nfs/dbraw/zinc/79/67/70/568796770.db2.gz ZPFPBGQXNMGQOF-YOEHRIQHSA-N 0 0 439.482 1.674 50 0 IDAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000015555708 568797884 /nfs/dbraw/zinc/79/78/84/568797884.db2.gz WYXAGFMQZXDGON-CQSZACIVSA-N 0 0 439.559 1.854 50 0 IDAARN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000084637073 568799298 /nfs/dbraw/zinc/79/92/98/568799298.db2.gz JSDDLXGXAQHGDV-YWZLYKJASA-N 0 0 433.530 1.413 50 0 IDAARN CCOC[C@@H](C(=O)OC)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000084801145 568801440 /nfs/dbraw/zinc/80/14/40/568801440.db2.gz GDTMFZZBEQNUOV-SFHVURJKSA-N 0 0 426.535 1.432 50 0 IDAARN COc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)cn3C)CC2)c1 ZINC000015674738 568803549 /nfs/dbraw/zinc/80/35/49/568803549.db2.gz UGPVUJMVNAHYML-UHFFFAOYSA-N 0 0 432.546 1.781 50 0 IDAARN COc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)CC2)c1 ZINC000015674817 568803577 /nfs/dbraw/zinc/80/35/77/568803577.db2.gz CLWSQAKTVWTTCL-UHFFFAOYSA-N 0 0 448.545 1.017 50 0 IDAARN CN1C(C(=O)N2CCc3ccccc3C2)=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O ZINC000015673565 568803609 /nfs/dbraw/zinc/80/36/09/568803609.db2.gz SRLLTGUCOGSCCX-UHFFFAOYSA-N 0 0 425.466 1.863 50 0 IDAARN COc1ccc(CCNC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)cc1OC ZINC000015673692 568803619 /nfs/dbraw/zinc/80/36/19/568803619.db2.gz MYAMBSILBJMBSV-UHFFFAOYSA-N 0 0 435.527 1.987 50 0 IDAARN Cc1cc2n(n1)CCCN2C(=O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015728852 568813166 /nfs/dbraw/zinc/81/31/66/568813166.db2.gz VKZPOFNNJCOICK-UHFFFAOYSA-N 0 0 439.516 1.782 50 0 IDAARN NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000015731029 568814453 /nfs/dbraw/zinc/81/44/53/568814453.db2.gz NBEWKNQARSJLQB-UHFFFAOYSA-N 0 0 441.556 1.289 50 0 IDAARN CCOCCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)c1cccs1)CC2 ZINC000015731393 568814888 /nfs/dbraw/zinc/81/48/88/568814888.db2.gz KEYIOABDSCZEMQ-UHFFFAOYSA-N 0 0 442.559 1.688 50 0 biogenic IDAARN CCOCCc1nn2c(nc(COC(=O)CN3C(=O)c4ccccc4C3=O)cc2=O)s1 ZINC000015734338 568816323 /nfs/dbraw/zinc/81/63/23/568816323.db2.gz RXIJQLYMRHVYDO-UHFFFAOYSA-N 0 0 442.453 1.069 50 0 IDAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)NCCN1CCOCC1 ZINC000015734431 568816334 /nfs/dbraw/zinc/81/63/34/568816334.db2.gz QKONEEAHNDWKRP-UHFFFAOYSA-N 0 0 441.580 1.650 50 0 IDAARN Cc1nc(N2CCC[C@H]2C(=O)N(C)C[C@H]2COCCO2)nc2cc(S(C)(=O)=O)ccc12 ZINC000012279869 568819998 /nfs/dbraw/zinc/81/99/98/568819998.db2.gz FUBYSHKORUZKKF-KXBFYZLASA-N 0 0 448.545 1.184 50 0 IDAARN Cc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)ccc1Br ZINC000015767468 568821769 /nfs/dbraw/zinc/82/17/69/568821769.db2.gz DOORIFDTFHBDHO-UHFFFAOYSA-N 0 0 443.323 1.614 50 0 IDAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)NCc1ccc2c(c1)OCO2 ZINC000015767858 568821978 /nfs/dbraw/zinc/82/19/78/568821978.db2.gz ZFNUODUSZCSAIS-UHFFFAOYSA-N 0 0 440.481 1.680 50 0 IDAARN CCOCCCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CC)CC)ccc2N1C(C)=O ZINC000015775979 568823580 /nfs/dbraw/zinc/82/35/80/568823580.db2.gz OXZGROGEEPHOIC-LJQANCHMSA-N 0 0 425.551 1.538 50 0 IDAARN COc1cc(-c2nc3c([nH]c(=O)n3C[C@@H]3CCCO3)c(C(N)=O)n2)cc(OC)c1OC ZINC000015778634 568824769 /nfs/dbraw/zinc/82/47/69/568824769.db2.gz NIHPJVGLEUVPSR-NSHDSACASA-N 0 0 429.433 1.090 50 0 IDAARN Cc1onc2c1c(C)nn(CCC(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)c2=O ZINC000085602514 568827271 /nfs/dbraw/zinc/82/72/71/568827271.db2.gz YDYRRVNBJSGXAY-UHFFFAOYSA-N 0 0 439.472 1.465 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000085642799 568829207 /nfs/dbraw/zinc/82/92/07/568829207.db2.gz PDUPMRANDLPEDA-UHFFFAOYSA-N 0 0 432.546 1.749 50 0 IDAARN COc1cccc(CNC(=O)CCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000085648380 568830559 /nfs/dbraw/zinc/83/05/59/568830559.db2.gz XZULIJNWSJLVGM-UHFFFAOYSA-N 0 0 431.518 1.787 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000085648383 568830570 /nfs/dbraw/zinc/83/05/70/568830570.db2.gz YBWKTPCWSJCBLV-UHFFFAOYSA-N 0 0 431.474 1.829 50 0 IDAARN O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000085650956 568831627 /nfs/dbraw/zinc/83/16/27/568831627.db2.gz QMPCJZBPUAJZTI-HNNXBMFYSA-N 0 0 434.518 1.561 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000085654176 568832353 /nfs/dbraw/zinc/83/23/53/568832353.db2.gz GUZYVTHGFPMHDR-UHFFFAOYSA-N 0 0 444.488 1.891 50 0 IDAARN CN(CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000106727015 568837571 /nfs/dbraw/zinc/83/75/71/568837571.db2.gz IZDKFLKLQRHEQC-ROUUACIJSA-N 0 0 429.542 1.677 50 0 IDAARN CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000015822263 568840046 /nfs/dbraw/zinc/84/00/46/568840046.db2.gz HEWRCUJXAWTPHB-UHFFFAOYSA-N 0 0 431.514 1.995 50 0 IDAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000015824196 568840370 /nfs/dbraw/zinc/84/03/70/568840370.db2.gz YQPSIGONXIKBTM-UHFFFAOYSA-N 0 0 430.446 1.652 50 0 IDAARN CN(CC(=O)OCc1ccccc1)C(=O)CNC(=O)CNC(=O)OCc1ccccc1 ZINC000005062916 568842039 /nfs/dbraw/zinc/84/20/39/568842039.db2.gz BFEGQKMXIHUQFK-UHFFFAOYSA-N 0 0 427.457 1.231 50 0 IDAARN O=C(CNC(=O)CNC(=O)OCc1ccccc1)NCCC(=O)OCc1ccccc1 ZINC000025668276 568842537 /nfs/dbraw/zinc/84/25/37/568842537.db2.gz FQQMVWPZBBEPSA-UHFFFAOYSA-N 0 0 427.457 1.279 50 0 IDAARN O=C(CCNC(=O)OCc1ccccc1)NCC(=O)NCC(=O)OCc1ccccc1 ZINC000025668283 568842548 /nfs/dbraw/zinc/84/25/48/568842548.db2.gz SQURCPGFPZCLMD-UHFFFAOYSA-N 0 0 427.457 1.279 50 0 IDAARN Cc1ccn2c(c1)nc(C)c(Cc1nnc(SCC(=O)NC[C@H]3CCCO3)n1C)c2=O ZINC000015859220 568846959 /nfs/dbraw/zinc/84/69/59/568846959.db2.gz UDOIYBUBVRHCNJ-OAHLLOKOSA-N 0 0 442.545 1.418 50 0 IDAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1Cl ZINC000006177676 568852507 /nfs/dbraw/zinc/85/25/07/568852507.db2.gz WGHGZRKFVNPDIL-UHFFFAOYSA-N 0 0 431.880 1.800 50 0 IDAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1cccc(NC(C)=O)c1)c(=O)n2C ZINC000015880405 568854046 /nfs/dbraw/zinc/85/40/46/568854046.db2.gz DUGTWOQGAHYBJL-UHFFFAOYSA-N 0 0 425.445 1.399 50 0 IDAARN O=C(COc1ccc(Cl)cc1)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000015881615 568855956 /nfs/dbraw/zinc/85/59/56/568855956.db2.gz KDAQSNAKQJKWSC-UHFFFAOYSA-N 0 0 437.949 1.842 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1 ZINC000015882319 568856288 /nfs/dbraw/zinc/85/62/88/568856288.db2.gz KWIBQSVOBWHAHH-UHFFFAOYSA-N 0 0 444.561 1.936 50 0 IDAARN Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2c1n(C)c(=O)n(C)c2=O ZINC000015882249 568856633 /nfs/dbraw/zinc/85/66/33/568856633.db2.gz HRDLPHSFWSCIBA-UHFFFAOYSA-N 0 0 427.408 1.720 50 0 IDAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccccc1OC ZINC000015883768 568857895 /nfs/dbraw/zinc/85/78/95/568857895.db2.gz FPOAADGMZWYVLR-UHFFFAOYSA-N 0 0 430.486 1.518 50 0 IDAARN CCc1ccc2c(c1)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959171 568860230 /nfs/dbraw/zinc/86/02/30/568860230.db2.gz WZMLRSVHAXQUKU-CNGLCLGJSA-N 0 0 433.508 1.593 50 0 biogenic IDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959798 568860479 /nfs/dbraw/zinc/86/04/79/568860479.db2.gz ZELGVVJNMXXSOY-BINBFKAUSA-N 0 0 446.507 1.224 50 0 biogenic IDAARN CCc1ccc2c(c1)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968077 568861210 /nfs/dbraw/zinc/86/12/10/568861210.db2.gz QYGAWXRFFNIKCQ-HOSCZWGSSA-N 0 0 446.507 1.088 50 0 biogenic IDAARN CCc1cccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016033017 568867684 /nfs/dbraw/zinc/86/76/84/568867684.db2.gz XJBNWBJVVISKKM-WKVINZIJSA-N 0 0 446.507 1.088 50 0 biogenic IDAARN O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Br ZINC000040446120 568878386 /nfs/dbraw/zinc/87/83/86/568878386.db2.gz MPMGTABSZZLUHJ-MRVPVSSYSA-N 0 0 447.170 1.925 50 0 IDAARN O=C(NCCc1csc(-c2ccccc2)n1)C1CN(c2cc(-n3cncn3)ncn2)C1 ZINC000575609873 568878838 /nfs/dbraw/zinc/87/88/38/568878838.db2.gz RHSHRJGHHDZNQV-UHFFFAOYSA-N 0 0 432.513 1.976 50 0 IDAARN CN1c2ccc(F)cc2N(CCNC(=O)CCn2cnc3ccccc3c2=O)S1(=O)=O ZINC000575611581 568879247 /nfs/dbraw/zinc/87/92/47/568879247.db2.gz GIFOSLURBGBBAK-UHFFFAOYSA-N 0 0 445.476 1.243 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000000980357 568880479 /nfs/dbraw/zinc/88/04/79/568880479.db2.gz JYIPTUZFIYWGCV-XTCWOQMQSA-N 0 0 429.381 1.071 50 0 IDAARN Cn1c(=O)n(C2CCN(S(=O)(=O)CCOc3ccccc3)CC2)nc1C(F)(F)F ZINC000575615985 568881360 /nfs/dbraw/zinc/88/13/60/568881360.db2.gz MPZWKZMDSJHOOO-UHFFFAOYSA-N 0 0 434.440 1.646 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000575617421 568881660 /nfs/dbraw/zinc/88/16/60/568881660.db2.gz PTMODLPEBGZLNX-UHFFFAOYSA-N 0 0 434.499 1.665 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NCc3nc(C4CCSCC4)no3)cc3c2N1CC3 ZINC000575618384 568882014 /nfs/dbraw/zinc/88/20/14/568882014.db2.gz VLZOKQAEAIRJCM-UHFFFAOYSA-N 0 0 434.543 1.994 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc3ccc(S(=O)(=O)N4CCOCC4)cc3c2O)C1 ZINC000006296584 568882227 /nfs/dbraw/zinc/88/22/27/568882227.db2.gz AQNRNGKFUIFONJ-HUUCEWRRSA-N 0 0 433.530 1.667 50 0 IDAARN CCC(CC)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O ZINC000006294186 568882314 /nfs/dbraw/zinc/88/23/14/568882314.db2.gz KQOVEGBSEBBUSX-UHFFFAOYSA-N 0 0 427.505 1.359 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575619975 568882892 /nfs/dbraw/zinc/88/28/92/568882892.db2.gz NXCXRVFGOWNXMD-UHFFFAOYSA-N 0 0 441.557 1.712 50 0 IDAARN O=C(Cn1cccc(-c2nc(-c3cnccn3)no2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000090592113 568888757 /nfs/dbraw/zinc/88/87/57/568888757.db2.gz JUSGIKXWEPLZLB-UHFFFAOYSA-N 0 0 432.396 1.765 50 0 IDAARN COc1cccc2sc(OC3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc21 ZINC000090594236 568889227 /nfs/dbraw/zinc/88/92/27/568889227.db2.gz BMNXRRJOLYHZNG-UHFFFAOYSA-N 0 0 425.532 1.566 50 0 IDAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012972642 568889275 /nfs/dbraw/zinc/88/92/75/568889275.db2.gz NGTHHCFLNWMWRY-UONOGXRCSA-N 0 0 445.497 1.756 50 0 IDAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCC2 ZINC000001738660 568889279 /nfs/dbraw/zinc/88/92/79/568889279.db2.gz NMPMSBOBQZXLBQ-UHFFFAOYSA-N 0 0 449.554 1.999 50 0 IDAARN O=C(COc1ccc(-n2cccn2)nn1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 ZINC000090607721 568890100 /nfs/dbraw/zinc/89/01/00/568890100.db2.gz JQOLEAQQJCRILA-UHFFFAOYSA-N 0 0 449.519 1.170 50 0 IDAARN CCOC(=O)/C=C1/SCC(=O)N1CCN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O ZINC000102883581 568890414 /nfs/dbraw/zinc/89/04/14/568890414.db2.gz INPZPXAHIXOCTP-FOWTUZBSSA-N 0 0 435.502 1.648 50 0 IDAARN CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000090609661 568891558 /nfs/dbraw/zinc/89/15/58/568891558.db2.gz JFWMRANYSQARLC-CQSZACIVSA-N 0 0 430.530 1.840 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000006407094 568894342 /nfs/dbraw/zinc/89/43/42/568894342.db2.gz YLTPHUYLFILXBM-QGZVFWFLSA-N 0 0 441.532 1.927 50 0 IDAARN Cc1ccnc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)nn21 ZINC000012982146 568894675 /nfs/dbraw/zinc/89/46/75/568894675.db2.gz YOEBFDARIUCORM-UHFFFAOYSA-N 0 0 426.911 1.294 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cc1OC ZINC000032927383 568895846 /nfs/dbraw/zinc/89/58/46/568895846.db2.gz QMXUOBAPPBYDQW-UHFFFAOYSA-N 0 0 443.529 1.791 50 0 IDAARN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000013012103 568901062 /nfs/dbraw/zinc/90/10/62/568901062.db2.gz PHOKRTPBEZWJKH-UHFFFAOYSA-N 0 0 438.303 1.822 50 0 IDAARN COC(=O)c1cn(-c2cccc(C3N4CC5(C)CN3CC(C)(C4)C5O)c2)cc2c(=O)[nH]nc1-2 ZINC000253414737 568903312 /nfs/dbraw/zinc/90/33/12/568903312.db2.gz YJZKZBDEAUJLSD-UHFFFAOYSA-N 0 0 449.511 1.469 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCN1CCOCC1 ZINC000524729208 568904002 /nfs/dbraw/zinc/90/40/02/568904002.db2.gz IYLKNNPSHUHDLT-JOCHJYFZSA-N 0 0 434.496 1.640 50 0 biogenic IDAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1cnc2sccc2c1=O ZINC000013038246 568904385 /nfs/dbraw/zinc/90/43/85/568904385.db2.gz DMZRLJJPBWLRQG-UHFFFAOYSA-N 0 0 425.470 1.370 50 0 IDAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2cc(Br)ccc2O)cc1 ZINC000026675017 568906193 /nfs/dbraw/zinc/90/61/93/568906193.db2.gz MZKKZOXDBPQPDQ-UHFFFAOYSA-N 0 0 429.292 1.872 50 0 IDAARN COc1ccc(/C=C2/NC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000105255668 568908919 /nfs/dbraw/zinc/90/89/19/568908919.db2.gz LXKKKRIZMXDVFD-MHWRWJLKSA-N 0 0 446.510 1.039 50 0 IDAARN CC1(C)NC(=O)N(C[C@H](O)COc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)C1=O ZINC000238899949 568910318 /nfs/dbraw/zinc/91/03/18/568910318.db2.gz HJIBHMRTIMQCCM-USXIJHARSA-N 0 0 427.457 1.212 50 0 IDAARN CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3NC=C[C@]3(O)C(F)(F)F)C2)c(C)n1 ZINC000239426011 568911525 /nfs/dbraw/zinc/91/15/25/568911525.db2.gz VPJSUTRZBAGHIW-DOMZBBRYSA-N 0 0 437.444 1.081 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)NC(=O)N[C@H]1C ZINC000241383311 568912060 /nfs/dbraw/zinc/91/20/60/568912060.db2.gz MUEDJTHHBAJSFC-SQWLQELKSA-N 0 0 429.473 1.658 50 0 IDAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000242324395 568912751 /nfs/dbraw/zinc/91/27/51/568912751.db2.gz ZAZLUWBMUHIDEM-ZCNNSNEGSA-N 0 0 426.941 1.728 50 0 IDAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1cccc(C)c1 ZINC000245225745 568912922 /nfs/dbraw/zinc/91/29/22/568912922.db2.gz LERJREBRRWXADA-XDWAVFMPSA-N 0 0 437.445 1.030 50 0 IDAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c(OC)c1OC ZINC000245247804 568913436 /nfs/dbraw/zinc/91/34/36/568913436.db2.gz XSGQSKZQZXDUJQ-YVSFHVDLSA-N 0 0 426.425 1.616 50 0 IDAARN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000245255011 568913560 /nfs/dbraw/zinc/91/35/60/568913560.db2.gz DNYAZPSSXZBRBH-KZNAEPCWSA-N 0 0 437.562 1.183 50 0 IDAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245256547 568914033 /nfs/dbraw/zinc/91/40/33/568914033.db2.gz QXBGUBKPPKYLJO-ICSRJNTNSA-N 0 0 448.566 1.414 50 0 IDAARN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NCc1ccncc1 ZINC000245312869 568914730 /nfs/dbraw/zinc/91/47/30/568914730.db2.gz YGTHQSSMYZYAAZ-UAPYVXQJSA-N 0 0 444.557 1.599 50 0 IDAARN COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(C[C@H]5CCCO5)C(=O)[C@H]24)O3)cc(OC)c1OC ZINC000245326821 568915039 /nfs/dbraw/zinc/91/50/39/568915039.db2.gz LQAIALVFPHCXFW-SBKDJZTLSA-N 0 0 444.484 1.612 50 0 IDAARN CCn1cc(C(=O)C(=O)N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cn1 ZINC000089305707 568920357 /nfs/dbraw/zinc/92/03/57/568920357.db2.gz FBDQBDUPOBCSRD-UHFFFAOYSA-N 0 0 428.518 1.974 50 0 IDAARN CCn1cc(C(=O)C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cn1 ZINC000089305711 568920409 /nfs/dbraw/zinc/92/04/09/568920409.db2.gz UMSGZBQMOUPJCO-UHFFFAOYSA-N 0 0 445.328 1.926 50 0 IDAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)C(C)C)n(C)c(=O)c(=O)n3C)CC1 ZINC000064526176 568931134 /nfs/dbraw/zinc/93/11/34/568931134.db2.gz NILQSDQOFSRJSV-UHFFFAOYSA-N 0 0 430.505 1.611 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1 ZINC000016689718 568938100 /nfs/dbraw/zinc/93/81/00/568938100.db2.gz IPOJHGIIGWHNFZ-GJZGRUSLSA-N 0 0 429.564 1.093 50 0 IDAARN O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000016694667 568938895 /nfs/dbraw/zinc/93/88/95/568938895.db2.gz QDMQYMXNYCKCLF-UHFFFAOYSA-N 0 0 441.241 1.979 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3ccc(F)cc3)c2=O)c1 ZINC000036085541 568948078 /nfs/dbraw/zinc/94/80/78/568948078.db2.gz WDLVXLALOOSEFS-LJQANCHMSA-N 0 0 438.459 1.799 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000036086328 568948699 /nfs/dbraw/zinc/94/86/99/568948699.db2.gz GLEKIYJDGHLARZ-UHFFFAOYSA-N 0 0 434.496 1.840 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3ccc(C)cc3)c2=O)cc1 ZINC000036086631 568949019 /nfs/dbraw/zinc/94/90/19/568949019.db2.gz IUDKNLTYJIXYMY-HXUWFJFHSA-N 0 0 434.496 1.968 50 0 IDAARN CC(C)c1ccc(-n2nc(C(=O)N3CCN(C)CC3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087801 568949738 /nfs/dbraw/zinc/94/97/38/568949738.db2.gz JFGSZDGYSMZDKL-UHFFFAOYSA-N 0 0 447.539 1.954 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036089256 568950365 /nfs/dbraw/zinc/95/03/65/568950365.db2.gz YQGDMDTUNIECFV-UHFFFAOYSA-N 0 0 446.866 1.920 50 0 IDAARN COc1cc(OC)cc(C(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c1 ZINC000064755602 568951232 /nfs/dbraw/zinc/95/12/32/568951232.db2.gz CSJNECRSEXKIHJ-UHFFFAOYSA-N 0 0 447.517 1.565 50 0 IDAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2oc1=O ZINC000064818860 568965490 /nfs/dbraw/zinc/96/54/90/568965490.db2.gz SZDNBZXLQRJIQK-UHFFFAOYSA-N 0 0 448.453 1.755 50 0 IDAARN COC(=O)Cn1c2ccc(S(=O)(=O)N(C)C[C@H]3COc4ccccc4O3)cc2oc1=O ZINC000064818809 568965491 /nfs/dbraw/zinc/96/54/91/568965491.db2.gz ZDYYZZBLEYSDPX-ZDUSSCGKSA-N 0 0 448.453 1.228 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)=O)cc2)cn1C ZINC000064818920 568965689 /nfs/dbraw/zinc/96/56/89/568965689.db2.gz NQZODGKPIRBRSB-QGZVFWFLSA-N 0 0 433.486 1.806 50 0 IDAARN O=C1C(=O)N(C2CCN(S(=O)(=O)c3cccs3)CC2)CCN1Cc1ccccc1 ZINC000064835432 568968909 /nfs/dbraw/zinc/96/89/09/568968909.db2.gz BGKFNPTVPWIGTP-UHFFFAOYSA-N 0 0 433.555 1.772 50 0 IDAARN CSc1ccc(CCNC(=O)c2cc(=O)nc3sc(N4CCOCC4)nn32)cc1 ZINC000064836545 568969409 /nfs/dbraw/zinc/96/94/09/568969409.db2.gz 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Cc1ccc(CN2CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)C(=O)C2=O)cc1 ZINC000064888666 568979543 /nfs/dbraw/zinc/97/95/43/568979543.db2.gz CEKRDKODXPHRPY-UHFFFAOYSA-N 0 0 438.503 1.654 50 0 IDAARN C[C@H]1Oc2cc(S(=O)(=O)N3CCN(C(=O)C4CCC4)CC3)c(Cl)cc2NC1=O ZINC000064889791 568980611 /nfs/dbraw/zinc/98/06/11/568980611.db2.gz ASJYICMZYDBUKQ-LLVKDONJSA-N 0 0 427.910 1.692 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc2NC1=O ZINC000064890019 568980796 /nfs/dbraw/zinc/98/07/96/568980796.db2.gz DQLKRGOVHCNREA-ZDUSSCGKSA-N 0 0 433.461 1.692 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)COc4ccccc4)CC3)cc2NC1=O ZINC000064890061 568980807 /nfs/dbraw/zinc/98/08/07/568980807.db2.gz BPHYVNQKKJRTJT-HNNXBMFYSA-N 0 0 445.497 1.318 50 0 IDAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4cccs4)CC3)cc2NC1=O ZINC000064890186 568981183 /nfs/dbraw/zinc/98/11/83/568981183.db2.gz VNBBEXHRYITSMB-QGZVFWFLSA-N 0 0 449.554 1.933 50 0 IDAARN O=C(c1ccc(F)cc1)N(CC1CC1)C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1 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Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000036329832 569076623 /nfs/dbraw/zinc/07/66/23/569076623.db2.gz ILHPKJFHJGHIJO-UHFFFAOYSA-N 0 0 429.502 1.110 50 0 IDAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1OC ZINC000169700802 569076634 /nfs/dbraw/zinc/07/66/34/569076634.db2.gz DJUHLCLAQVXCJB-NCOADZHNSA-N 0 0 444.415 1.755 50 0 IDAARN CCOCCCNC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C(=O)C2=O)CC1 ZINC000064979106 569078175 /nfs/dbraw/zinc/07/81/75/569078175.db2.gz MMKPCYZZWICGLV-UHFFFAOYSA-N 0 0 430.549 1.766 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000036347176 569081785 /nfs/dbraw/zinc/08/17/85/569081785.db2.gz KXMIMMQGASLGBM-NRFANRHFSA-N 0 0 433.549 1.841 50 0 IDAARN CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(C)c1)c(=O)n2C ZINC000064986512 569082280 /nfs/dbraw/zinc/08/22/80/569082280.db2.gz LOQIAGTXNBLGKJ-UHFFFAOYSA-N 0 0 437.500 1.833 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1cc(F)c(F)c(F)c1 ZINC000036359459 569085676 /nfs/dbraw/zinc/08/56/76/569085676.db2.gz WHJOAJLYHFTHPZ-HNNXBMFYSA-N 0 0 427.404 1.622 50 0 IDAARN Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000036359904 569086520 /nfs/dbraw/zinc/08/65/20/569086520.db2.gz XVFQISHNRMOEFY-INIZCTEOSA-N 0 0 444.513 1.403 50 0 IDAARN Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000036359903 569086586 /nfs/dbraw/zinc/08/65/86/569086586.db2.gz XVFQISHNRMOEFY-MRXNPFEDSA-N 0 0 444.513 1.403 50 0 IDAARN CCOc1ccc(CNC(=O)[C@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)cc1OCC ZINC000065024181 569089430 /nfs/dbraw/zinc/08/94/30/569089430.db2.gz GIFQQSRMJRHUJF-KRWDZBQOSA-N 0 0 444.532 1.414 50 0 IDAARN CCOc1ccc(C(=O)N2CCCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1OCC ZINC000065024314 569089584 /nfs/dbraw/zinc/08/95/84/569089584.db2.gz CKGNGJSEOFSAON-UHFFFAOYSA-N 0 0 430.505 1.234 50 0 IDAARN CC[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 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Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccccc4Cl)CC3)ccc21 ZINC000065075809 569099712 /nfs/dbraw/zinc/09/97/12/569099712.db2.gz MVFMQNJWDGUXHO-UHFFFAOYSA-N 0 0 435.889 1.932 50 0 IDAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)COc4ccc(F)cc4)CC3)ccc21 ZINC000065075804 569099763 /nfs/dbraw/zinc/09/97/63/569099763.db2.gz PAKDHEKZIZRLHZ-UHFFFAOYSA-N 0 0 449.460 1.183 50 0 IDAARN CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 ZINC000065075841 569099846 /nfs/dbraw/zinc/09/98/46/569099846.db2.gz AEASTHOJAAXKPI-UHFFFAOYSA-N 0 0 433.461 1.900 50 0 IDAARN Cc1ccc(N2N=C(C(=O)NC3CCN(S(C)(=O)=O)CC3)CCC2=O)cc1Cl ZINC000036396936 569100023 /nfs/dbraw/zinc/10/00/23/569100023.db2.gz JVAKRCXTBFGDAY-UHFFFAOYSA-N 0 0 426.926 1.671 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1nc(C(=O)N2CCc3ccccc32)ccc1=O ZINC000065076272 569100066 /nfs/dbraw/zinc/10/00/66/569100066.db2.gz REXNYHDHDQYOMF-UHFFFAOYSA-N 0 0 432.436 1.872 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 ZINC000036398509 569101098 /nfs/dbraw/zinc/10/10/98/569101098.db2.gz CKEYXRJGQBTQED-UHFFFAOYSA-N 0 0 432.458 1.376 50 0 IDAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000036398564 569101441 /nfs/dbraw/zinc/10/14/41/569101441.db2.gz FXBRIWSYXNDEKC-RBUKOAKNSA-N 0 0 445.516 1.982 50 0 IDAARN COc1ccccc1CCC(=O)NC1CCN(C(=O)c2cc3c(=O)[nH]c(C)cn3n2)CC1 ZINC000169777005 569102269 /nfs/dbraw/zinc/10/22/69/569102269.db2.gz LARMBVUUYXCTCS-UHFFFAOYSA-N 0 0 437.500 1.693 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NC[C@H]4CCCO4)CC3)cc2oc1=O ZINC000065085801 569103177 /nfs/dbraw/zinc/10/31/77/569103177.db2.gz CFGKRUATJJDEIC-OAHLLOKOSA-N 0 0 437.518 1.218 50 0 IDAARN CCNC(=O)CCc1nc2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O ZINC000065101456 569105403 /nfs/dbraw/zinc/10/54/03/569105403.db2.gz ORNWQEUAMXOPKD-UHFFFAOYSA-N 0 0 447.539 1.814 50 0 IDAARN CSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)NC[C@H]1CCCO1 ZINC000065100540 569105556 /nfs/dbraw/zinc/10/55/56/569105556.db2.gz FQYHYICZHMPUBZ-CQSZACIVSA-N 0 0 446.554 1.934 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)Nc4cccc(C)c4)c(=O)c3s2)CC1 ZINC000065101061 569105627 /nfs/dbraw/zinc/10/56/27/569105627.db2.gz PJGNISGSWZQALQ-UHFFFAOYSA-N 0 0 440.529 1.763 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)Cn2c3ccccc3nc(CCC(=O)NC)c2=O)c1 ZINC000065101624 569105812 /nfs/dbraw/zinc/10/58/12/569105812.db2.gz ZKSWNYFEROMUAW-UHFFFAOYSA-N 0 0 436.468 1.891 50 0 IDAARN COc1cccc(CNS(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)c1 ZINC000065115458 569106842 /nfs/dbraw/zinc/10/68/42/569106842.db2.gz AENVJNXXBZXYTO-UHFFFAOYSA-N 0 0 431.470 1.787 50 0 IDAARN Cc1ccccc1N1CCN(c2nccn3c(=O)n(CC(=O)NC4CCCCC4)nc23)CC1 ZINC000065151845 569111433 /nfs/dbraw/zinc/11/14/33/569111433.db2.gz JDNRUVCNITWZBE-UHFFFAOYSA-N 0 0 449.559 1.975 50 0 IDAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)NCC(C)C)CC1 ZINC000065152059 569111486 /nfs/dbraw/zinc/11/14/86/569111486.db2.gz CZUCWFHIILIIAA-UHFFFAOYSA-N 0 0 449.577 1.716 50 0 IDAARN O=C(Cn1c2csnc2c(=O)n(C2CC2)c1=O)N1CCN(c2ccccc2F)CC1 ZINC000065185127 569114166 /nfs/dbraw/zinc/11/41/66/569114166.db2.gz YVAOTCNWFABJAS-UHFFFAOYSA-N 0 0 429.477 1.443 50 0 IDAARN O=C(C1CC1)N1CCc2cc(N3C[C@H](C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21 ZINC000065195518 569115416 /nfs/dbraw/zinc/11/54/16/569115416.db2.gz BYBLDLOTMMPZGQ-GOSISDBHSA-N 0 0 439.512 1.704 50 0 biogenic IDAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)n21 ZINC000065196698 569115823 /nfs/dbraw/zinc/11/58/23/569115823.db2.gz DCXIYAJGLUUGPM-UHFFFAOYSA-N 0 0 447.474 1.749 50 0 IDAARN COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)cc1Cl ZINC000065213779 569116841 /nfs/dbraw/zinc/11/68/41/569116841.db2.gz JFMVIKFGAVZJLJ-UHFFFAOYSA-N 0 0 425.894 1.934 50 0 IDAARN O=C(CN1CCN(Cc2nc(-c3ccc(N4CCCCC4)nc3)no2)CC1)N1CCCC1 ZINC000065216000 569117076 /nfs/dbraw/zinc/11/70/76/569117076.db2.gz SAKVOKNDPDPFBG-UHFFFAOYSA-N 0 0 439.564 1.862 50 0 IDAARN COc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)[C@@H](C)Oc4ccccc4)C[C@@H](C2)O3)cc1 ZINC000065225118 569117752 /nfs/dbraw/zinc/11/77/52/569117752.db2.gz RRBVGXIOHWBRAA-AHRSYUTCSA-N 0 0 446.525 1.763 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(ccc(OC)c3OC)[nH]2)CC1 ZINC000036580031 569119748 /nfs/dbraw/zinc/11/97/48/569119748.db2.gz UIRHYBNOOXCYDX-CYBMUJFWSA-N 0 0 432.477 1.604 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@H](O)c1ccccc1 ZINC000036579888 569119777 /nfs/dbraw/zinc/11/97/77/569119777.db2.gz CDRUFNNWRBEJEQ-SJORKVTESA-N 0 0 425.441 1.466 50 0 IDAARN O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccc2)CC1 ZINC000036585689 569120083 /nfs/dbraw/zinc/12/00/83/569120083.db2.gz WMXNAEYGTNHXSK-GOSISDBHSA-N 0 0 436.468 1.779 50 0 IDAARN CCN1CCN([C@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036594765 569121224 /nfs/dbraw/zinc/12/12/24/569121224.db2.gz ZTEKJIVUCSMFLC-RBUKOAKNSA-N 0 0 428.620 1.561 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC)C(=O)OC ZINC000036594800 569121366 /nfs/dbraw/zinc/12/13/66/569121366.db2.gz RGJMHCAKKBGZKJ-DNVCBOLYSA-N 0 0 430.461 1.570 50 0 IDAARN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C1)C(=O)N2C ZINC000065249410 569121997 /nfs/dbraw/zinc/12/19/97/569121997.db2.gz GSPNNAODZMRHSP-OAQYLSRUSA-N 0 0 429.498 1.962 50 0 biogenic IDAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCSCC4)c3)nc2)C1 ZINC000065254360 569122587 /nfs/dbraw/zinc/12/25/87/569122587.db2.gz NPOXZVOOUISCKB-HNNXBMFYSA-N 0 0 435.575 1.877 50 0 IDAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCN(C)CC4)c3)nc2)C1 ZINC000065254361 569122646 /nfs/dbraw/zinc/12/26/46/569122646.db2.gz ZNRYHUDHJBEYBG-MRXNPFEDSA-N 0 0 432.550 1.076 50 0 IDAARN COc1cc([C@H](CC(=O)N[C@H]2CCS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731437 569126517 /nfs/dbraw/zinc/12/65/17/569126517.db2.gz XYBBCSLUKDMCAQ-KBPBESRZSA-N 0 0 437.470 1.193 50 0 biogenic IDAARN COc1cc([C@@H](CC(=O)NCCN2CCCC2=O)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731532 569126643 /nfs/dbraw/zinc/12/66/43/569126643.db2.gz BBVPYKDGHMKHNP-OAHLLOKOSA-N 0 0 430.457 1.629 50 0 biogenic IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCNc1ncccn1 ZINC000524733185 569127124 /nfs/dbraw/zinc/12/71/24/569127124.db2.gz CLEDHVSISTYIDI-HXUWFJFHSA-N 0 0 428.452 1.820 50 0 IDAARN COc1ccccc1-c1noc(CNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1 ZINC000524734396 569127802 /nfs/dbraw/zinc/12/78/02/569127802.db2.gz BCDWQDQYUZEJNM-INIZCTEOSA-N 0 0 435.440 1.892 50 0 IDAARN C=C1C(N2CCCN(C(=O)N[C@@H](C)C(=O)OC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271902 569128689 /nfs/dbraw/zinc/12/86/89/569128689.db2.gz VDUNPAUWVMLTNO-INIZCTEOSA-N 0 0 448.545 1.747 50 0 IDAARN CC[C@@]1(N2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)CCN(C(=O)NC)C1 ZINC000065292098 569130399 /nfs/dbraw/zinc/13/03/99/569130399.db2.gz CSCXMLYIGWKDBG-LJQANCHMSA-N 0 0 444.985 1.849 50 0 IDAARN CCn1c2cnccc2nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1=O ZINC000065292741 569130746 /nfs/dbraw/zinc/13/07/46/569130746.db2.gz AQQPROYTFSHRTH-UHFFFAOYSA-N 0 0 439.541 1.811 50 0 IDAARN CCN1CCN(C(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccc3)CC2)CC1 ZINC000065295443 569131469 /nfs/dbraw/zinc/13/14/69/569131469.db2.gz BNNJJLUNJTZKPV-UHFFFAOYSA-N 0 0 434.548 1.317 50 0 IDAARN CC[C@]1(N2CCN(C(=O)COc3cccc(Cl)c3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292191 569132410 /nfs/dbraw/zinc/13/24/10/569132410.db2.gz BQBHZAZWZJLBIG-IBGZPJMESA-N 0 0 429.970 1.677 50 0 IDAARN C[C@]1(C(=O)NC2CCCC2)Cn2cnc(C(=O)NCc3ccccn3)c2C(=O)N1C1CC1 ZINC000065302049 569132827 /nfs/dbraw/zinc/13/28/27/569132827.db2.gz WDMZXLNBLPQNGQ-HSZRJFAPSA-N 0 0 436.516 1.644 50 0 IDAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2ccco2)c1=O)NC1CCCCC1 ZINC000065305502 569133326 /nfs/dbraw/zinc/13/33/26/569133326.db2.gz AQUBEUMOSMWDHS-UHFFFAOYSA-N 0 0 427.486 1.963 50 0 IDAARN CCc1nnc2nc(N3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)cc(C)n12 ZINC000065311873 569133635 /nfs/dbraw/zinc/13/36/35/569133635.db2.gz KGLOZRXPISPYKG-UHFFFAOYSA-N 0 0 440.504 1.983 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(cc(C)n2C)nc1N1CCOCC1 ZINC000065311153 569133795 /nfs/dbraw/zinc/13/37/95/569133795.db2.gz MVMJIDPRRZDXEJ-UHFFFAOYSA-N 0 0 439.472 1.305 50 0 IDAARN O=C([C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)N1CCC2(CC1)OCCO2 ZINC000065313953 569135298 /nfs/dbraw/zinc/13/52/98/569135298.db2.gz YOXJRRWQLWNBKS-FQEVSTJZSA-N 0 0 438.528 1.874 50 0 IDAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000036708441 569135817 /nfs/dbraw/zinc/13/58/17/569135817.db2.gz UZMDHYIUONZSLN-OAHLLOKOSA-N 0 0 439.457 1.731 50 0 IDAARN Cc1ccc2nc(NC(=O)CSc3nnc(Cc4c(C)[nH]c(=O)[nH]c4=O)o3)sc2c1 ZINC000036708468 569135945 /nfs/dbraw/zinc/13/59/45/569135945.db2.gz WJTHIWCGNBEPBV-UHFFFAOYSA-N 0 0 444.498 1.994 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc3ncn(Cc4ccncc4)c(=O)c3c2)cn1 ZINC000065321091 569136352 /nfs/dbraw/zinc/13/63/52/569136352.db2.gz HOHAWLUVRLHSIL-UHFFFAOYSA-N 0 0 436.453 1.135 50 0 IDAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000238916137 569137892 /nfs/dbraw/zinc/13/78/92/569137892.db2.gz SNUIULRZUIATKS-UHFFFAOYSA-N 0 0 434.927 1.157 50 0 IDAARN O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000065515083 569139016 /nfs/dbraw/zinc/13/90/16/569139016.db2.gz MCXPJUPCGSKDGC-QZTJIDSGSA-N 0 0 430.505 1.839 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000007425896 569140272 /nfs/dbraw/zinc/14/02/72/569140272.db2.gz IWNXKUMTHIOTMJ-JKSUJKDBSA-N 0 0 427.505 1.408 50 0 IDAARN Cc1csc(CC(=O)N2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CC2)n1 ZINC000037178514 569140591 /nfs/dbraw/zinc/14/05/91/569140591.db2.gz IFTCWUIBWTWSSB-HNNXBMFYSA-N 0 0 430.530 1.744 50 0 IDAARN O=S(=O)(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cccc(OC(F)(F)F)c1 ZINC000170591836 569140914 /nfs/dbraw/zinc/14/09/14/569140914.db2.gz CNNARPRLDNEHHS-RISCZKNCSA-N 0 0 429.438 1.600 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 ZINC000170596261 569141877 /nfs/dbraw/zinc/14/18/77/569141877.db2.gz ULMISFUOLHSNMN-HNNXBMFYSA-N 0 0 444.513 1.187 50 0 IDAARN COc1ccc(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)cc1S(=O)(=O)NC1CC1 ZINC000170597468 569142109 /nfs/dbraw/zinc/14/21/09/569142109.db2.gz XPJIHYMAPLVIIL-GFCCVEGCSA-N 0 0 427.523 1.779 50 0 IDAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N(CCO)CCNC(=O)OC(C)(C)C)c1 ZINC000170597373 569142145 /nfs/dbraw/zinc/14/21/45/569142145.db2.gz IQSLGWROSDZFBR-UHFFFAOYSA-N 0 0 435.550 1.888 50 0 IDAARN CC1CCN(C(=O)C(=O)NC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)C2CCCCC2)CC1 ZINC000170597862 569142256 /nfs/dbraw/zinc/14/22/56/569142256.db2.gz WMBSGOOSIFWYTC-HXUWFJFHSA-N 0 0 448.608 1.685 50 0 IDAARN COC(=O)CN1CCN(c2ccc(NC(=O)Cc3ccccc3[S@](C)=O)cc2)CC1 ZINC000170610295 569145114 /nfs/dbraw/zinc/14/51/14/569145114.db2.gz IXRLTUNADLHLLL-PMERELPUSA-N 0 0 429.542 1.900 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ncncc1Br ZINC000170618628 569147186 /nfs/dbraw/zinc/14/71/86/569147186.db2.gz AKDSCEIPCGHQLK-UHFFFAOYSA-N 0 0 441.307 1.190 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c3c(nc2N2CCC[C@@H](C)C2)n(C)c(=O)n(C)c3=O)c1 ZINC000170624417 569148097 /nfs/dbraw/zinc/14/80/97/569148097.db2.gz QLUOCOAVABRVFQ-SJORKVTESA-N 0 0 441.532 1.418 50 0 IDAARN CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccccc2Cl)CC1 ZINC000170624423 569148111 /nfs/dbraw/zinc/14/81/11/569148111.db2.gz WWZVFGQEVBGIJA-AWEZNQCLSA-N 0 0 447.923 1.753 50 0 IDAARN COCCn1c2ccccc2nc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000009882123 569149582 /nfs/dbraw/zinc/14/95/82/569149582.db2.gz RRCBEHMOSGSHIF-UHFFFAOYSA-N 0 0 430.530 1.963 50 0 IDAARN Cc1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2cnn(C3CCCC3)c2n1 ZINC000071284778 569150758 /nfs/dbraw/zinc/15/07/58/569150758.db2.gz WUXCUOYHKKIXEQ-KRWDZBQOSA-N 0 0 431.562 1.800 50 0 IDAARN Cc1cc(NC(=O)CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3o2)no1 ZINC000010026778 569151681 /nfs/dbraw/zinc/15/16/81/569151681.db2.gz ZSOGPZCYDFYUKF-UHFFFAOYSA-N 0 0 438.487 1.876 50 0 IDAARN O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219940 569152794 /nfs/dbraw/zinc/15/27/94/569152794.db2.gz JDRUSHQNVLSPAW-UHFFFAOYSA-N 0 0 445.888 1.604 50 0 IDAARN CCOCCCNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219923 569152850 /nfs/dbraw/zinc/15/28/50/569152850.db2.gz WVUNQCOHPRLAGK-UHFFFAOYSA-N 0 0 440.909 1.435 50 0 IDAARN COC(=O)c1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010216337 569153125 /nfs/dbraw/zinc/15/31/25/569153125.db2.gz AGQRHWWHEQXKRP-UHFFFAOYSA-N 0 0 428.470 1.458 50 0 IDAARN O=C(NCc1cccnc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000010219819 569153852 /nfs/dbraw/zinc/15/38/52/569153852.db2.gz KLRYYEZULURUPE-UHFFFAOYSA-N 0 0 429.433 1.090 50 0 IDAARN CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)C1 ZINC000013790550 569157038 /nfs/dbraw/zinc/15/70/38/569157038.db2.gz JRSVMMZNGSXMCY-CYBMUJFWSA-N 0 0 426.539 1.756 50 0 IDAARN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000014047733 569157634 /nfs/dbraw/zinc/15/76/34/569157634.db2.gz KUEPCQZUGBMFGH-KRWDZBQOSA-N 0 0 442.545 1.423 50 0 IDAARN C[C@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)c(F)c1F ZINC000014352070 569158720 /nfs/dbraw/zinc/15/87/20/569158720.db2.gz KJTVLFXGPZXBFS-VIFPVBQESA-N 0 0 443.407 1.555 50 0 IDAARN CC(=O)c1ccc2c(c1)CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)CC2 ZINC000089593970 569159696 /nfs/dbraw/zinc/15/96/96/569159696.db2.gz STNZYUFXZOYQNU-FQEVSTJZSA-N 0 0 444.557 1.793 50 0 IDAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2Cl)n1 ZINC000016839434 569163032 /nfs/dbraw/zinc/16/30/32/569163032.db2.gz FJKBYGDCPALTSQ-CYBMUJFWSA-N 0 0 444.879 1.319 50 0 IDAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccccc2Cl)n1 ZINC000016839436 569163042 /nfs/dbraw/zinc/16/30/42/569163042.db2.gz FJKBYGDCPALTSQ-ZDUSSCGKSA-N 0 0 444.879 1.319 50 0 IDAARN O=C(Cn1cnc2c(cnn2[C@H]2CCS(=O)(=O)C2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000016849859 569164675 /nfs/dbraw/zinc/16/46/75/569164675.db2.gz UGXDKXPAWODXIC-NSHDSACASA-N 0 0 439.856 1.384 50 0 IDAARN CC(C)N(C(=O)Cn1cnc2c(cnn2[C@H]2CCS(=O)(=O)C2)c1=O)c1ccccc1 ZINC000016849863 569164677 /nfs/dbraw/zinc/16/46/77/569164677.db2.gz UPQGHNGWXBGVTI-INIZCTEOSA-N 0 0 429.502 1.394 50 0 IDAARN COC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000089914344 569167496 /nfs/dbraw/zinc/16/74/96/569167496.db2.gz WWFWTKJEQCVVTF-LHSJRXKWSA-N 0 0 434.395 1.958 50 0 IDAARN COc1cn(CC(=O)NC[C@@H]2CCCO2)c(CN2CCN(c3ccccc3)CC2)cc1=O ZINC000016974663 569168659 /nfs/dbraw/zinc/16/86/59/569168659.db2.gz VHTUBVVIQRTPMT-NRFANRHFSA-N 0 0 440.544 1.474 50 0 IDAARN Cc1nn(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000016976342 569168802 /nfs/dbraw/zinc/16/88/02/569168802.db2.gz HOUIEGQRBAICAK-UHFFFAOYSA-N 0 0 440.547 1.223 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)C1 ZINC000016980696 569169287 /nfs/dbraw/zinc/16/92/87/569169287.db2.gz SDCINUBWVNUPEX-KRWDZBQOSA-N 0 0 429.521 1.924 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCc2cccnc2)c2ccco2)cc1 ZINC000017043328 569171363 /nfs/dbraw/zinc/17/13/63/569171363.db2.gz BTLNZJUKBPJHMY-LJQANCHMSA-N 0 0 427.482 1.931 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NCc3ccccn3)C(C)C)cc2C[C@@H]1C ZINC000009118199 569171386 /nfs/dbraw/zinc/17/13/86/569171386.db2.gz DKIMCKNZKAAJBH-BTYIYWSLSA-N 0 0 444.557 1.998 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)cc1 ZINC000017041913 569171627 /nfs/dbraw/zinc/17/16/27/569171627.db2.gz RMODOLQVNMPDQA-UHFFFAOYSA-N 0 0 431.456 1.942 50 0 IDAARN CC(C)Cc1nc(SCC(=O)N2CCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000017113326 569174158 /nfs/dbraw/zinc/17/41/58/569174158.db2.gz GMDDFLXGBSIXMZ-UHFFFAOYSA-N 0 0 439.541 1.907 50 0 IDAARN CC(C)CNC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000017113208 569174173 /nfs/dbraw/zinc/17/41/73/569174173.db2.gz CUPOZNFSVYJOAT-NRFANRHFSA-N 0 0 427.524 1.972 50 0 IDAARN O=C(NCc1cccnc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169546 569175244 /nfs/dbraw/zinc/17/52/44/569175244.db2.gz DVMCMOOVJKTNCY-SFHVURJKSA-N 0 0 431.445 1.761 50 0 IDAARN COc1cccc(-c2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc3nn(C)c(N)c32)c1 ZINC000037360537 569181449 /nfs/dbraw/zinc/18/14/49/569181449.db2.gz TZYJYWJJSKKFBF-INIZCTEOSA-N 0 0 437.504 1.449 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000027158753 569182587 /nfs/dbraw/zinc/18/25/87/569182587.db2.gz ZHDIREWKAOOZSR-KRWDZBQOSA-N 0 0 431.514 1.665 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 ZINC000252427596 569183279 /nfs/dbraw/zinc/18/32/79/569183279.db2.gz PTESZMAJJORWNU-DLBZAZTESA-N 0 0 441.525 1.170 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000002128888 569184271 /nfs/dbraw/zinc/18/42/71/569184271.db2.gz PCTAVKIIFJGKCY-XQNUDUSMSA-N 0 0 425.485 1.831 50 0 biogenic IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000252489186 569186786 /nfs/dbraw/zinc/18/67/86/569186786.db2.gz JJJLJHFTHHGGMR-XNTDXEJSSA-N 0 0 438.575 1.734 50 0 IDAARN Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C3 ZINC000208035472 569187206 /nfs/dbraw/zinc/18/72/06/569187206.db2.gz KYGDIVZMWGCALQ-UHFFFAOYSA-N 0 0 441.513 1.257 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385306 569188316 /nfs/dbraw/zinc/18/83/16/569188316.db2.gz ZLWYKTKYQPZRHK-DOTOQJQBSA-N 0 0 441.532 1.662 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 ZINC000252533114 569189721 /nfs/dbraw/zinc/18/97/21/569189721.db2.gz FVYFBZKNEKQMLO-PZJWPPBQSA-N 0 0 439.512 1.863 50 0 IDAARN O=C(C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@H](CO)Cc1ccccc1 ZINC000252536202 569189881 /nfs/dbraw/zinc/18/98/81/569189881.db2.gz HVYRLYZWJHFKQE-GHTZIAJQSA-N 0 0 434.496 1.945 50 0 IDAARN O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252536897 569190007 /nfs/dbraw/zinc/19/00/07/569190007.db2.gz JSSWGZPZAXIYKE-UHFFFAOYSA-N 0 0 435.484 1.581 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000252568990 569191019 /nfs/dbraw/zinc/19/10/19/569191019.db2.gz VTAPNXIZDIJZCT-CEXWTWQISA-N 0 0 434.496 1.899 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1OC ZINC000252571326 569191140 /nfs/dbraw/zinc/19/11/40/569191140.db2.gz XUAMKDUZLHZIBX-ZWKOTPCHSA-N 0 0 441.484 1.439 50 0 IDAARN COc1ccc(N2C(=O)N[C@H](CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000252571479 569191209 /nfs/dbraw/zinc/19/12/09/569191209.db2.gz XZZZKPCGXQJBQF-RVKKMQEKSA-N 0 0 436.468 1.522 50 0 IDAARN O=C(OCc1ccccc1)N1CCc2nc(N3CCOCC3)nc(N3CCOCC3)c2C1 ZINC000037580661 569201995 /nfs/dbraw/zinc/20/19/95/569201995.db2.gz PKTRMZNRGZJFNH-UHFFFAOYSA-N 0 0 439.516 1.845 50 0 IDAARN COc1ccc(C(=O)N2CCO[C@H](CN3CCCN(C(=O)c4ccco4)CC3)C2)cc1 ZINC000037611403 569202987 /nfs/dbraw/zinc/20/29/87/569202987.db2.gz QPZZJSRFZQBPIM-HXUWFJFHSA-N 0 0 427.501 1.977 50 0 IDAARN C[C@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCO[C@@H](C)C4)nc3)cn2)CCO1 ZINC000195529224 569204255 /nfs/dbraw/zinc/20/42/55/569204255.db2.gz GAMWQFGQIWCWQN-ROUUACIJSA-N 0 0 440.548 1.926 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3[C@H]2CO)C1=O ZINC000252675753 569210243 /nfs/dbraw/zinc/21/02/43/569210243.db2.gz UYOUVTFSCXSZLS-HYBUGGRVSA-N 0 0 436.512 1.553 50 0 IDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252677672 569210539 /nfs/dbraw/zinc/21/05/39/569210539.db2.gz ZNAPBURAUTYNFM-LJQANCHMSA-N 0 0 440.500 1.979 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000001170863 569256520 /nfs/dbraw/zinc/25/65/20/569256520.db2.gz VCIRVTJQPNZIIS-CUYVQJCZSA-N 0 0 439.342 1.971 50 0 IDAARN C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccccc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000016823343 569256906 /nfs/dbraw/zinc/25/69/06/569256906.db2.gz IZYFOVAMXARCNT-XQQFMLRXSA-N 0 0 430.910 1.036 50 0 IDAARN CCOC(=O)C1C(=O)[C@H](C(=O)OCC)[C@@H]2C(C(=O)OCC)C(=O)[C@H](C(=O)OCC)[C@H]12 ZINC000257358871 569263822 /nfs/dbraw/zinc/26/38/22/569263822.db2.gz WVVBBPFQBUNSER-FBKDDSFISA-N 0 0 426.418 1.355 50 0 IDAARN O=C([C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000253370700 569264116 /nfs/dbraw/zinc/26/41/16/569264116.db2.gz UZNMOIMHOJGXHS-JQHSSLGASA-N 0 0 436.530 1.638 50 0 IDAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@H](Cn2nccn2)c2ccccc2)cc1 ZINC000253398924 569264818 /nfs/dbraw/zinc/26/48/18/569264818.db2.gz HVOULBICEZRTMX-GOSISDBHSA-N 0 0 425.470 1.651 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1 ZINC000253403093 569265151 /nfs/dbraw/zinc/26/51/51/569265151.db2.gz PIFPQCOWXYXURL-UHFFFAOYSA-N 0 0 445.541 1.677 50 0 IDAARN CC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000253405908 569265332 /nfs/dbraw/zinc/26/53/32/569265332.db2.gz SWRCMCNQJWCPCS-UHFFFAOYSA-N 0 0 425.732 1.754 50 0 IDAARN CC(C)N(C)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C(C)C)[C@H](C)c1ccccc1 ZINC000253415547 569266231 /nfs/dbraw/zinc/26/62/31/569266231.db2.gz GCVYRORWFHIPJJ-AEFFLSMTSA-N 0 0 434.628 1.508 50 0 IDAARN CNC(=O)c1ccc(C)c(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c1 ZINC000253428450 569267621 /nfs/dbraw/zinc/26/76/21/569267621.db2.gz DFZYBGIFLYGJBU-UHFFFAOYSA-N 0 0 438.527 1.425 50 0 IDAARN CN(C)c1nc(NCCNC(=O)COc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1 ZINC000002306038 569271687 /nfs/dbraw/zinc/27/16/87/569271687.db2.gz MHUOMQUVENSKPQ-UHFFFAOYSA-N 0 0 428.324 1.918 50 0 IDAARN O=C(CCc1ccccc1)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000018189365 569286853 /nfs/dbraw/zinc/28/68/53/569286853.db2.gz UJYYOMWQBNTZOM-UHFFFAOYSA-N 0 0 430.526 1.837 50 0 IDAARN COC(=O)c1cn(-c2ccc(OC)c(N3CCCCS3(=O)=O)c2)cc2c(=O)[nH]nc1-2 ZINC000253411970 569288964 /nfs/dbraw/zinc/28/89/64/569288964.db2.gz PLRUUINKEUPCKV-UHFFFAOYSA-N 0 0 432.458 1.391 50 0 IDAARN CCOC(=O)/C=C1\SCC(=O)N1CCN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000008733858 569290184 /nfs/dbraw/zinc/29/01/84/569290184.db2.gz VEAWLXWZBUKALQ-SIBGDRKGSA-N 0 0 447.469 1.162 50 0 IDAARN NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1Cl ZINC000002435922 569303779 /nfs/dbraw/zinc/30/37/79/569303779.db2.gz CIDDMEYPRIOHSX-UHFFFAOYSA-N 0 0 445.327 1.121 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012950280 569305106 /nfs/dbraw/zinc/30/51/06/569305106.db2.gz ZOLRMWMKSGPSRS-LBPRGKRZSA-N 0 0 428.454 1.395 50 0 IDAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000013004466 569306293 /nfs/dbraw/zinc/30/62/93/569306293.db2.gz RNAVCDAAZSORHT-UHFFFAOYSA-N 0 0 445.472 1.626 50 0 IDAARN CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)c3cccn3C)cc2C1=O ZINC000013062638 569308674 /nfs/dbraw/zinc/30/86/74/569308674.db2.gz UOUWGMYHCVTSPQ-UHFFFAOYSA-N 0 0 425.441 1.781 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000013119822 569310985 /nfs/dbraw/zinc/31/09/85/569310985.db2.gz SRWBZUCCSMOGAI-JOCHJYFZSA-N 0 0 439.424 1.982 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCCO3)C1=O ZINC000013149018 569312158 /nfs/dbraw/zinc/31/21/58/569312158.db2.gz FDGLCEVJBHVJCL-JOCHJYFZSA-N 0 0 439.424 1.982 50 0 IDAARN Cn1c(Sc2nnc(NC(=O)c3cccs3)s2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013365243 569314241 /nfs/dbraw/zinc/31/42/41/569314241.db2.gz HAHOSQUJCZHHIG-UHFFFAOYSA-N 0 0 435.516 1.287 50 0 IDAARN COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013371511 569315062 /nfs/dbraw/zinc/31/50/62/569315062.db2.gz UDSXZUGZJVZMSR-OALUTQOASA-N 0 0 427.519 1.606 50 0 IDAARN CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013371548 569315094 /nfs/dbraw/zinc/31/50/94/569315094.db2.gz BFXAEPYKEQPDDO-IRXDYDNUSA-N 0 0 433.523 1.040 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013375887 569315219 /nfs/dbraw/zinc/31/52/19/569315219.db2.gz ARXZJZMIJROZJC-FTUNRGFVSA-N 0 0 428.576 1.562 50 0 IDAARN O=C(NCCCn1cccnc1=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000328591857 569317084 /nfs/dbraw/zinc/31/70/84/569317084.db2.gz XGODIJMASUHTQD-UHFFFAOYSA-N 0 0 446.554 1.646 50 0 IDAARN COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(-n3c(=O)[nH][nH]c3=O)cc2)cc1 ZINC000328596153 569317836 /nfs/dbraw/zinc/31/78/36/569317836.db2.gz VEMGOVMZFLOLND-UHFFFAOYSA-N 0 0 434.430 1.421 50 0 IDAARN C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)NC1CCCC1 ZINC000078716884 569318503 /nfs/dbraw/zinc/31/85/03/569318503.db2.gz ZVNUEDVFLDRRJS-SNVBAGLBSA-N 0 0 433.324 1.946 50 0 IDAARN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NC[C@@H](O)Cc2ccccc2)c1 ZINC000078757539 569318842 /nfs/dbraw/zinc/31/88/42/569318842.db2.gz KAVWXWNANJOATI-SFHVURJKSA-N 0 0 425.514 1.879 50 0 IDAARN O=C([C@@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000078800590 569318966 /nfs/dbraw/zinc/31/89/66/569318966.db2.gz DZOUZDVXIASHDX-IBGZPJMESA-N 0 0 427.482 1.018 50 0 IDAARN CNC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000078903754 569320255 /nfs/dbraw/zinc/32/02/55/569320255.db2.gz AEWHNMGZSZBUAF-UHFFFAOYSA-N 0 0 445.364 1.776 50 0 IDAARN CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078875208 569319770 /nfs/dbraw/zinc/31/97/70/569319770.db2.gz OXMMLFOMMJUFCM-GASCZTMLSA-N 0 0 449.533 1.533 50 0 IDAARN Cc1nc2cc(C(=O)NC[C@H](C(C)C)N3CCOCC3)ccc2n1[C@H]1CCS(=O)(=O)C1 ZINC000078902867 569320128 /nfs/dbraw/zinc/32/01/28/569320128.db2.gz WLQBYYVOYMPEQB-GHTZIAJQSA-N 0 0 448.589 1.791 50 0 IDAARN Cc1nc2cc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)ccc2n1[C@@H]1CCS(=O)(=O)C1 ZINC000078902854 569320132 /nfs/dbraw/zinc/32/01/32/569320132.db2.gz WLQBYYVOYMPEQB-NQIIRXRSSA-N 0 0 448.589 1.791 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[S@@](C)=O)c2)CC1 ZINC000078899474 569320142 /nfs/dbraw/zinc/32/01/42/569320142.db2.gz WEMFIQKTNNGLQG-LJAQVGFWSA-N 0 0 449.554 1.529 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1Br ZINC000078932608 569320216 /nfs/dbraw/zinc/32/02/16/569320216.db2.gz VLALNNIMEURURO-GFCCVEGCSA-N 0 0 430.367 1.566 50 0 IDAARN O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)NCC2(O)CCC3(CC2)OCCO3)C1 ZINC000078968621 569320761 /nfs/dbraw/zinc/32/07/61/569320761.db2.gz VTGVGVPSQXOFCG-LJQANCHMSA-N 0 0 446.544 1.859 50 0 IDAARN COc1ccc(NS(=O)(=O)N(C)[C@H](C)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000079001750 569321887 /nfs/dbraw/zinc/32/18/87/569321887.db2.gz PNWHHKFCQTZSOS-CYBMUJFWSA-N 0 0 433.552 1.103 50 0 IDAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)C(C)C)cc1 ZINC000079016164 569322119 /nfs/dbraw/zinc/32/21/19/569322119.db2.gz HVSCCXLPZWQVBW-ULYRPOKDSA-N 0 0 430.505 1.286 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Nc3cccc(F)c3)C2)CC1 ZINC000079017816 569322203 /nfs/dbraw/zinc/32/22/03/569322203.db2.gz ZDTMFGQWFKMYFV-UHFFFAOYSA-N 0 0 442.513 1.924 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H](CO)c2ccccc2)c1 ZINC000079019867 569322353 /nfs/dbraw/zinc/32/23/53/569322353.db2.gz XHNDVXZZHZHBER-LJQANCHMSA-N 0 0 447.557 1.339 50 0 IDAARN CS(=O)(=O)c1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000079023487 569322672 /nfs/dbraw/zinc/32/26/72/569322672.db2.gz UYDUMGAPMKQDRG-JQWIXIFHSA-N 0 0 433.324 1.458 50 0 IDAARN CS(=O)(=O)c1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000079023478 569322707 /nfs/dbraw/zinc/32/27/07/569322707.db2.gz UYDUMGAPMKQDRG-PWSUYJOCSA-N 0 0 433.324 1.458 50 0 IDAARN CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccccc1F)c(=O)n2C ZINC000019625721 569323794 /nfs/dbraw/zinc/32/37/94/569323794.db2.gz KIABEYYERHTOBQ-UHFFFAOYSA-N 0 0 441.463 1.663 50 0 IDAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCSC[C@H]2S(C)(=O)=O)C1 ZINC000079093191 569325214 /nfs/dbraw/zinc/32/52/14/569325214.db2.gz JYLUCTRBZZCZHR-HZPDHXFCSA-N 0 0 425.532 1.131 50 0 IDAARN O=C(CN1CCOc2cccc(F)c21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000079103666 569325688 /nfs/dbraw/zinc/32/56/88/569325688.db2.gz UGEPKMTWRVGPOV-UHFFFAOYSA-N 0 0 435.477 1.684 50 0 IDAARN CC(C)(C)[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000079111444 569326130 /nfs/dbraw/zinc/32/61/30/569326130.db2.gz JWZHGRKPLUOLLW-GOSISDBHSA-N 0 0 426.535 1.382 50 0 IDAARN O=C(Cn1cc(NC(=O)C(=O)NCc2cccc(-n3cccn3)c2)cn1)NC1CCCC1 ZINC000079111326 569326174 /nfs/dbraw/zinc/32/61/74/569326174.db2.gz JHIOCYDLTAGFSF-UHFFFAOYSA-N 0 0 435.488 1.383 50 0 IDAARN COc1ccc([C@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCOCC2)cc1 ZINC000019795872 569329444 /nfs/dbraw/zinc/32/94/44/569329444.db2.gz BWBZPSFPTAAPFZ-NRFANRHFSA-N 0 0 437.496 1.871 50 0 IDAARN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000079477695 569330768 /nfs/dbraw/zinc/33/07/68/569330768.db2.gz KTORYKINDMKVNF-GOSISDBHSA-N 0 0 439.578 1.026 50 0 IDAARN C[C@H](C(=O)N1CCN(CCO)CC1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000019911593 569331928 /nfs/dbraw/zinc/33/19/28/569331928.db2.gz XMGMPJDEMIFHNC-GOSISDBHSA-N 0 0 436.512 1.007 50 0 IDAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccco3)C(=S)N2CCNC(C)=O)cc1 ZINC000020115056 569334957 /nfs/dbraw/zinc/33/49/57/569334957.db2.gz BCZDEKVIMNDLBF-SFHVURJKSA-N 0 0 444.513 1.751 50 0 IDAARN COCCn1cc(C(=O)NCCCN2CCOCC2)c2c3ccccc3n(C)c2c1=O ZINC000020138798 569336117 /nfs/dbraw/zinc/33/61/17/569336117.db2.gz WTZPUHSMEWQZQQ-UHFFFAOYSA-N 0 0 426.517 1.592 50 0 IDAARN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)s1 ZINC000390831567 569354386 /nfs/dbraw/zinc/35/43/86/569354386.db2.gz SOIVOPABUDMNSB-GFCCVEGCSA-N 0 0 435.574 1.714 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(=O)(=O)Nc3ccc(OC)c(OC)c3)cc2oc1=O ZINC000020287004 569359146 /nfs/dbraw/zinc/35/91/46/569359146.db2.gz FWGYWFBLEBHCRB-UHFFFAOYSA-N 0 0 436.442 1.976 50 0 IDAARN C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@H](c1cccs1)N1CCOCC1 ZINC000020287386 569359159 /nfs/dbraw/zinc/35/91/59/569359159.db2.gz IIFZOFCONCABJW-IFXJQAMLSA-N 0 0 431.514 1.671 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000020287727 569359342 /nfs/dbraw/zinc/35/93/42/569359342.db2.gz CEMMMOHRRJMDMP-UTKZUKDTSA-N 0 0 444.601 1.909 50 0 IDAARN Cc1ccnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 ZINC000020326882 569360553 /nfs/dbraw/zinc/36/05/53/569360553.db2.gz UMARIWHYFWRGBR-CQSZACIVSA-N 0 0 430.486 1.874 50 0 IDAARN Cc1sc2nc(CN3CCN(C(=O)CCOC[C@@H]4CCCO4)CC3)[nH]c(=O)c2c1C ZINC000095347340 569361566 /nfs/dbraw/zinc/36/15/66/569361566.db2.gz XUFASWGRQJDQMU-INIZCTEOSA-N 0 0 434.562 1.831 50 0 IDAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000095351892 569362135 /nfs/dbraw/zinc/36/21/35/569362135.db2.gz OHKANMLNAYSUMQ-JCGIZDLHSA-N 0 0 431.514 1.749 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)CC1 ZINC000095430257 569366109 /nfs/dbraw/zinc/36/61/09/569366109.db2.gz BUTBGURMWWWJAO-HXUWFJFHSA-N 0 0 434.880 1.334 50 0 IDAARN CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000095430113 569366115 /nfs/dbraw/zinc/36/61/15/569366115.db2.gz WDPDZTQQUCOWPI-OAHLLOKOSA-N 0 0 427.592 1.846 50 0 IDAARN CC(C)(C)NC(=O)CNc1nc(NCC(=O)NC(C)(C)C)nc(OCC(F)(F)F)n1 ZINC000095431447 569366336 /nfs/dbraw/zinc/36/63/36/569366336.db2.gz AQAGDGKMOUVGMO-UHFFFAOYSA-N 0 0 435.451 1.466 50 0 IDAARN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 ZINC000095436362 569366538 /nfs/dbraw/zinc/36/65/38/569366538.db2.gz WJNBBVVJZNFXBU-SJORKVTESA-N 0 0 433.553 1.866 50 0 IDAARN CC[C@@H](c1ccccc1)N(CC(=O)OC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000095445397 569367201 /nfs/dbraw/zinc/36/72/01/569367201.db2.gz XXVWQTVMOXDBNM-KRWDZBQOSA-N 0 0 426.516 1.649 50 0 IDAARN CC[C@@H](C(=O)Nc1cnn(C[C@H](O)CN(C)OC)c1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000095456511 569368841 /nfs/dbraw/zinc/36/88/41/569368841.db2.gz CQBKTHVVZNIWPF-SJORKVTESA-N 0 0 448.915 1.634 50 0 IDAARN O=C(Nc1ncccc1Cl)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000095457240 569368929 /nfs/dbraw/zinc/36/89/29/569368929.db2.gz MPIMGQFZHJDEBV-UHFFFAOYSA-N 0 0 448.888 1.850 50 0 IDAARN CCc1nn(C)cc1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000095459076 569369363 /nfs/dbraw/zinc/36/93/63/569369363.db2.gz FFQUQOLFMOUVIP-UHFFFAOYSA-N 0 0 425.942 1.748 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)n(C)c1=O ZINC000095465299 569370677 /nfs/dbraw/zinc/37/06/77/569370677.db2.gz CUKZLRSPCDTGQL-UHFFFAOYSA-N 0 0 447.344 1.292 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000095466917 569371073 /nfs/dbraw/zinc/37/10/73/569371073.db2.gz LJILTTRWMGXGNF-CQSZACIVSA-N 0 0 435.424 1.835 50 0 IDAARN CC(C)[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000095471250 569371846 /nfs/dbraw/zinc/37/18/46/569371846.db2.gz RVBXWYYNNZLCTM-LPHOPBHVSA-N 0 0 437.562 1.347 50 0 IDAARN CC(C)[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000095471249 569371889 /nfs/dbraw/zinc/37/18/89/569371889.db2.gz RVBXWYYNNZLCTM-APWZRJJASA-N 0 0 437.562 1.347 50 0 IDAARN Cn1nccc1CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000095941048 569375440 /nfs/dbraw/zinc/37/54/40/569375440.db2.gz OLFWKJPAUGMTJA-UHFFFAOYSA-N 0 0 442.497 1.965 50 0 IDAARN CN(C)C(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000095947885 569376439 /nfs/dbraw/zinc/37/64/39/569376439.db2.gz CRUXWFYXTKGDOZ-LJQANCHMSA-N 0 0 443.548 1.195 50 0 IDAARN O=C(CN1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1)Nc1ccccc1Cl ZINC000095956457 569376815 /nfs/dbraw/zinc/37/68/15/569376815.db2.gz AASMFTPQISFESM-UHFFFAOYSA-N 0 0 443.935 1.968 50 0 IDAARN CNC(=O)c1cccc(C(=O)OCCOCCOC(=O)c2cccc(C(=O)NC)c2)c1 ZINC000095962751 569377062 /nfs/dbraw/zinc/37/70/62/569377062.db2.gz AMWJECYTXQDJOR-UHFFFAOYSA-N 0 0 428.441 1.436 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(Cc3noc4c3CCCC4)C2)CC1 ZINC000095963703 569377197 /nfs/dbraw/zinc/37/71/97/569377197.db2.gz JHHLBYRYHTWEDL-UHFFFAOYSA-N 0 0 440.566 1.620 50 0 IDAARN O=C(Nc1cc2ccccc2oc1=O)c1c[nH]c(=O)n(Cc2ccc3c(c2)OCO3)c1=O ZINC000096024181 569380366 /nfs/dbraw/zinc/38/03/66/569380366.db2.gz UQCRITOFONLJST-UHFFFAOYSA-N 0 0 433.376 1.672 50 0 IDAARN COc1ccc(CCNC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)cc1OC ZINC000096105248 569382258 /nfs/dbraw/zinc/38/22/58/569382258.db2.gz MOGVXTRQWPTFFJ-KRWDZBQOSA-N 0 0 437.504 1.650 50 0 IDAARN CCOC(=O)N1CCc2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)cc2C1 ZINC000096105711 569382555 /nfs/dbraw/zinc/38/25/55/569382555.db2.gz KOMVSMJSEHBYEE-UHFFFAOYSA-N 0 0 425.489 1.107 50 0 IDAARN CCOC(=O)N1CCc2nn(CC(=O)NCc3cccc(OC)c3OC)c(=O)cc2C1 ZINC000096105724 569382602 /nfs/dbraw/zinc/38/26/02/569382602.db2.gz JMXVNYGNIPIKGX-UHFFFAOYSA-N 0 0 430.461 1.092 50 0 IDAARN COCCn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2c1=O ZINC000096115125 569383147 /nfs/dbraw/zinc/38/31/47/569383147.db2.gz QQWYODDHSCFEAZ-LNLFQRSKSA-N 0 0 445.545 1.707 50 0 biogenic IDAARN CC(C)S(=O)(=O)N1CCN(C(=O)CN2c3ccc(Cl)cc3C(C)(C)C2=O)CC1 ZINC000096181593 569386041 /nfs/dbraw/zinc/38/60/41/569386041.db2.gz PXXSTIVNVYULJK-UHFFFAOYSA-N 0 0 427.954 1.847 50 0 IDAARN COCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(C(=O)N2CCOCC2)c1 ZINC000096210867 569386544 /nfs/dbraw/zinc/38/65/44/569386544.db2.gz YRRLBSYSXYYINK-UHFFFAOYSA-N 0 0 446.548 1.439 50 0 IDAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cc(OC)c(O)c(OC)c2)o1 ZINC000096221077 569386743 /nfs/dbraw/zinc/38/67/43/569386743.db2.gz QIQVMESXYZZHRG-HNNXBMFYSA-N 0 0 449.456 1.595 50 0 biogenic IDAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000096221243 569386855 /nfs/dbraw/zinc/38/68/55/569386855.db2.gz ZEBYFCUWJYMKTG-SFHVURJKSA-N 0 0 439.468 1.983 50 0 biogenic IDAARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(C(=O)OC)cc2)o1 ZINC000096221884 569387087 /nfs/dbraw/zinc/38/70/87/569387087.db2.gz BACKOPBXLGDDLC-QGZVFWFLSA-N 0 0 431.441 1.659 50 0 biogenic IDAARN COC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 ZINC000096269423 569388119 /nfs/dbraw/zinc/38/81/19/569388119.db2.gz XSJZGRLCPSTLSK-CQSZACIVSA-N 0 0 442.253 1.808 50 0 IDAARN CCCn1c2ccc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)cc2[nH]c(=O)c1=O ZINC000096321519 569394088 /nfs/dbraw/zinc/39/40/88/569394088.db2.gz IJSFRHAUTFKEOM-UHFFFAOYSA-N 0 0 441.469 1.628 50 0 IDAARN COc1cccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C)n2)c1 ZINC000096322077 569394360 /nfs/dbraw/zinc/39/43/60/569394360.db2.gz RGHQHQCJCHDQGM-UHFFFAOYSA-N 0 0 430.442 1.821 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)c1C ZINC000096323348 569395225 /nfs/dbraw/zinc/39/52/25/569395225.db2.gz ZYLYGQFULKTDES-UHFFFAOYSA-N 0 0 433.534 1.625 50 0 IDAARN Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)ccc1=O ZINC000096324008 569395597 /nfs/dbraw/zinc/39/55/97/569395597.db2.gz GLMAMWDPTYKZSL-UHFFFAOYSA-N 0 0 430.486 1.834 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)CC1 ZINC000096343972 569396927 /nfs/dbraw/zinc/39/69/27/569396927.db2.gz IXMNWPVGRNGLLP-GFCCVEGCSA-N 0 0 434.294 1.369 50 0 IDAARN CCOc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055387470 569404157 /nfs/dbraw/zinc/40/41/57/569404157.db2.gz DSLGCLYXHOAASB-RBUKOAKNSA-N 0 0 444.509 1.828 50 0 IDAARN CSc1cccc(N2C[C@@H](C(=O)NCCn3cc(-c4nc(C)no4)nn3)CC2=O)c1 ZINC000225583672 569404866 /nfs/dbraw/zinc/40/48/66/569404866.db2.gz MQNMQGCTYIKBIE-ZDUSSCGKSA-N 0 0 427.490 1.528 50 0 IDAARN COc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1OC ZINC000225598624 569405304 /nfs/dbraw/zinc/40/53/04/569405304.db2.gz QOHKHUZZFVOXJQ-UHFFFAOYSA-N 0 0 437.522 1.044 50 0 IDAARN O=C(Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1 ZINC000002498347 569405754 /nfs/dbraw/zinc/40/57/54/569405754.db2.gz FJTQJWZYJWFTMZ-UHFFFAOYSA-N 0 0 438.465 1.773 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccc(F)c1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225635715 569406200 /nfs/dbraw/zinc/40/62/00/569406200.db2.gz DSINNNGUTOXTJE-QGZVFWFLSA-N 0 0 449.460 1.330 50 0 IDAARN Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000028052890 569406869 /nfs/dbraw/zinc/40/68/69/569406869.db2.gz LTLZNVVTOTWRKB-UHFFFAOYSA-N 0 0 429.498 1.781 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 ZINC000225728058 569407544 /nfs/dbraw/zinc/40/75/44/569407544.db2.gz FTOKNOCXNUEITM-UHFFFAOYSA-N 0 0 443.451 1.708 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1C ZINC000225743773 569407900 /nfs/dbraw/zinc/40/79/00/569407900.db2.gz UMGCDIXBCWRLBF-UHFFFAOYSA-N 0 0 443.577 1.952 50 0 IDAARN Cc1noc(-c2cccn3c(CNC(=O)CCn4cnc5ccccc5c4=O)nnc23)n1 ZINC000225747456 569408023 /nfs/dbraw/zinc/40/80/23/569408023.db2.gz WQKIDQFKLDQYPR-UHFFFAOYSA-N 0 0 430.428 1.504 50 0 IDAARN O=C(CNC(=O)OCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225759337 569408209 /nfs/dbraw/zinc/40/82/09/569408209.db2.gz KYZLSBFTTSXKGP-UHFFFAOYSA-N 0 0 436.468 1.780 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cc1 ZINC000225782377 569408608 /nfs/dbraw/zinc/40/86/08/569408608.db2.gz AWUWKIMYSAFJNT-UHFFFAOYSA-N 0 0 430.461 1.282 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2C)c1 ZINC000002628185 569411898 /nfs/dbraw/zinc/41/18/98/569411898.db2.gz HGPAYBCWNLRJQC-NSHDSACASA-N 0 0 440.551 1.188 50 0 IDAARN CCCn1c(=O)c2c(nc1N1CCN(C(=O)COc3ccccc3F)CC1)c(C)nn2C ZINC000028559169 569412318 /nfs/dbraw/zinc/41/23/18/569412318.db2.gz MGJSKUFQJWHNCA-UHFFFAOYSA-N 0 0 442.495 1.715 50 0 IDAARN CCn1c(=O)c2c(nc1N1CCN(C(=O)COc3ccccc3Cl)CC1)c(C)nn2C ZINC000028559052 569412347 /nfs/dbraw/zinc/41/23/47/569412347.db2.gz LWSJCXHVUSOSSV-UHFFFAOYSA-N 0 0 444.923 1.839 50 0 IDAARN Cc1nn(C)c2c1nc(N1CCN(C(=O)COc3ccc(F)cc3)CC1)n(C(C)C)c2=O ZINC000028559110 569412372 /nfs/dbraw/zinc/41/23/72/569412372.db2.gz OLXYAMKVZANDFC-UHFFFAOYSA-N 0 0 442.495 1.886 50 0 IDAARN O=C(COc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000002631421 569412447 /nfs/dbraw/zinc/41/24/47/569412447.db2.gz JJWQOCPJJFDNAQ-UHFFFAOYSA-N 0 0 436.461 1.509 50 0 IDAARN COC(=O)CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000002635138 569412875 /nfs/dbraw/zinc/41/28/75/569412875.db2.gz DBFHYMSAYNRSBN-CQSZACIVSA-N 0 0 446.481 1.273 50 0 IDAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)o2)cc1OC ZINC000002640306 569413559 /nfs/dbraw/zinc/41/35/59/569413559.db2.gz LIFWQEBEEFUDOW-VIFPVBQESA-N 0 0 447.473 1.097 50 0 IDAARN C[C@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000002649740 569414648 /nfs/dbraw/zinc/41/46/48/569414648.db2.gz RUPYMWVDZAPVJJ-LBPRGKRZSA-N 0 0 428.397 1.487 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002660216 569415890 /nfs/dbraw/zinc/41/58/90/569415890.db2.gz QZOMHGXKMFGQOS-UHFFFAOYSA-N 0 0 439.559 1.337 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2nnc3ccccc3c2=O)cc1 ZINC000002932876 569426301 /nfs/dbraw/zinc/42/63/01/569426301.db2.gz PZDKMOKWYJXHOU-UHFFFAOYSA-N 0 0 443.529 1.358 50 0 IDAARN COc1cc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc(OC)c1OC ZINC000002941596 569426837 /nfs/dbraw/zinc/42/68/37/569426837.db2.gz KYAZTEYKGMONDY-UHFFFAOYSA-N 0 0 426.429 1.177 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000056907916 569427551 /nfs/dbraw/zinc/42/75/51/569427551.db2.gz ZCHKLUHNJIRJEE-UHFFFAOYSA-N 0 0 445.589 1.809 50 0 IDAARN CNC(=O)COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1Cl ZINC000226686140 569427773 /nfs/dbraw/zinc/42/77/73/569427773.db2.gz LWPACFIENWFTOV-UHFFFAOYSA-N 0 0 431.942 1.390 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000056936152 569427783 /nfs/dbraw/zinc/42/77/83/569427783.db2.gz QMUPZALMXIOPTP-QGZVFWFLSA-N 0 0 442.545 1.698 50 0 IDAARN COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCOCC3)co2)CC1 ZINC000056949787 569428263 /nfs/dbraw/zinc/42/82/63/569428263.db2.gz NRYZZJPYHMXIFV-UHFFFAOYSA-N 0 0 443.500 1.208 50 0 IDAARN CCOCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952913 569428592 /nfs/dbraw/zinc/42/85/92/569428592.db2.gz BJEJXVGEYSQQDW-UHFFFAOYSA-N 0 0 446.939 1.435 50 0 IDAARN COCCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952885 569428596 /nfs/dbraw/zinc/42/85/96/569428596.db2.gz WSZRNNVDWABYGH-UHFFFAOYSA-N 0 0 432.912 1.045 50 0 IDAARN COc1ccc(N2C(=O)CN(CCc3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000056998082 569428955 /nfs/dbraw/zinc/42/89/55/569428955.db2.gz OLOJIFBFXVFXQT-RTWAWAEBSA-N 0 0 430.526 1.761 50 0 IDAARN O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000029334159 569429704 /nfs/dbraw/zinc/42/97/04/569429704.db2.gz HEQIQHIYSZLGMJ-UHFFFAOYSA-N 0 0 435.889 1.818 50 0 IDAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000057296989 569430617 /nfs/dbraw/zinc/43/06/17/569430617.db2.gz NQNNBRVVOMKTDS-UHFFFAOYSA-N 0 0 444.557 1.937 50 0 IDAARN Cc1nc(COc2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)cs1 ZINC000057373484 569432554 /nfs/dbraw/zinc/43/25/54/569432554.db2.gz SVZHFTNRRPQGPO-SFHVURJKSA-N 0 0 435.571 1.975 50 0 IDAARN COC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414668 569433870 /nfs/dbraw/zinc/43/38/70/569433870.db2.gz CMMRQLPSELWZCW-OAQYLSRUSA-N 0 0 437.500 1.693 50 0 IDAARN COC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414670 569433884 /nfs/dbraw/zinc/43/38/84/569433884.db2.gz CMMRQLPSELWZCW-NRFANRHFSA-N 0 0 437.500 1.693 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415585 569434040 /nfs/dbraw/zinc/43/40/40/569434040.db2.gz ILMWGOUCBPDTTJ-GOSISDBHSA-N 0 0 426.452 1.219 50 0 IDAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)c1 ZINC000057426823 569434690 /nfs/dbraw/zinc/43/46/90/569434690.db2.gz LHHYZMYCRMVVJB-MRXNPFEDSA-N 0 0 429.498 1.577 50 0 IDAARN CCOC(=O)[C@H]1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1 ZINC000057449193 569435173 /nfs/dbraw/zinc/43/51/73/569435173.db2.gz ATYWSNFJMXXCSG-KRWDZBQOSA-N 0 0 442.516 1.118 50 0 IDAARN CNC(=O)c1nn(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)c(=O)c2ccccc21 ZINC000057452428 569435325 /nfs/dbraw/zinc/43/53/25/569435325.db2.gz GDPZQJQNDUECCG-UHFFFAOYSA-N 0 0 437.475 1.878 50 0 IDAARN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)C[C@@H]1C(=O)NC[C@H](c1ccco1)N(C)C)c1ccco1 ZINC000230107529 569437598 /nfs/dbraw/zinc/43/75/98/569437598.db2.gz BUESQAGEPDYOBN-FCGDIQPGSA-N 0 0 444.532 1.606 50 0 IDAARN Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NCCCc2ccccc2)c1=O ZINC000057520634 569438736 /nfs/dbraw/zinc/43/87/36/569438736.db2.gz RGCLKTJPNLGVKA-UHFFFAOYSA-N 0 0 427.530 1.506 50 0 IDAARN Cc1cc(NC(=O)CN2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)no1 ZINC000029964992 569439875 /nfs/dbraw/zinc/43/98/75/569439875.db2.gz GCWYSQSPUDPRFZ-UHFFFAOYSA-N 0 0 441.540 1.129 50 0 IDAARN O=C(CCn1ccc2c(cnc3ccnn32)c1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000230277710 569440684 /nfs/dbraw/zinc/44/06/84/569440684.db2.gz BWVKQZMJBLIHKD-CVEARBPZSA-N 0 0 430.468 1.242 50 0 biogenic IDAARN COC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000003216061 569441844 /nfs/dbraw/zinc/44/18/44/569441844.db2.gz AARKTORHBJCBIT-UHFFFAOYSA-N 0 0 432.498 1.733 50 0 IDAARN Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000015669368 569442380 /nfs/dbraw/zinc/44/23/80/569442380.db2.gz RWCNNZHWJVDYGO-UHFFFAOYSA-N 0 0 430.530 1.510 50 0 IDAARN O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000030513401 569443056 /nfs/dbraw/zinc/44/30/56/569443056.db2.gz CZAQIEIOCVYODN-UHFFFAOYSA-N 0 0 449.515 1.414 50 0 IDAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000003256137 569443083 /nfs/dbraw/zinc/44/30/83/569443083.db2.gz DCFPCYQGMIYJLB-OAQYLSRUSA-N 0 0 444.875 1.685 50 0 IDAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003275846 569443678 /nfs/dbraw/zinc/44/36/78/569443678.db2.gz FBNINDIHEIUORU-UHFFFAOYSA-N 0 0 425.466 1.926 50 0 IDAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)Cn1cnnn1)CC2 ZINC000003310675 569445476 /nfs/dbraw/zinc/44/54/76/569445476.db2.gz FZGABWNLAZGACM-JOCHJYFZSA-N 0 0 437.456 1.408 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000003314974 569445662 /nfs/dbraw/zinc/44/56/62/569445662.db2.gz VUYANZDQKREEPD-UHFFFAOYSA-N 0 0 426.380 1.645 50 0 IDAARN CC(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003314388 569445667 /nfs/dbraw/zinc/44/56/67/569445667.db2.gz XITUIWOGLPLXEI-UHFFFAOYSA-N 0 0 445.497 1.829 50 0 IDAARN O=C(COC(=O)c1ccc(F)cc1F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003317350 569445779 /nfs/dbraw/zinc/44/57/79/569445779.db2.gz GLHHJTXTCSJRAO-UHFFFAOYSA-N 0 0 440.424 1.781 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000058045447 569445915 /nfs/dbraw/zinc/44/59/15/569445915.db2.gz QODRURAEIYAQRM-LBPRGKRZSA-N 0 0 429.545 1.434 50 0 IDAARN CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(NC(=O)C2=COCCO2)c1 ZINC000058048809 569445981 /nfs/dbraw/zinc/44/59/81/569445981.db2.gz MEKFZOAZIKVBOY-UHFFFAOYSA-N 0 0 427.479 1.316 50 0 IDAARN CC(C)[C@H](OC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C(=O)NC(N)=O ZINC000003325412 569446192 /nfs/dbraw/zinc/44/61/92/569446192.db2.gz ZXNHMHODZDUGEC-KRWDZBQOSA-N 0 0 430.438 1.440 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccccc2Br)cc1 ZINC000003338077 569446680 /nfs/dbraw/zinc/44/66/80/569446680.db2.gz KMWUEZLCSIPAMD-UHFFFAOYSA-N 0 0 441.303 1.612 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000003348087 569447261 /nfs/dbraw/zinc/44/72/61/569447261.db2.gz SQSOGMBZQZZZSD-FQEVSTJZSA-N 0 0 437.485 1.561 50 0 IDAARN O=C(COC(=O)c1cnccn1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003358167 569447690 /nfs/dbraw/zinc/44/76/90/569447690.db2.gz QVPKDFDJZIUXLU-UHFFFAOYSA-N 0 0 440.481 1.320 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)ccc1C ZINC000003362875 569447968 /nfs/dbraw/zinc/44/79/68/569447968.db2.gz YVKDKHOUKPYARO-UHFFFAOYSA-N 0 0 447.513 1.920 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000003365032 569448081 /nfs/dbraw/zinc/44/80/81/569448081.db2.gz OZIBQXBHPLCJKX-HNNXBMFYSA-N 0 0 425.507 1.316 50 0 IDAARN NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003378417 569448751 /nfs/dbraw/zinc/44/87/51/569448751.db2.gz CLALAVBNYNKIQE-UHFFFAOYSA-N 0 0 429.376 1.778 50 0 IDAARN NC(=O)[C@@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)Cc1ccc(F)cc1 ZINC000058153696 569448915 /nfs/dbraw/zinc/44/89/15/569448915.db2.gz QOJMKAHREJFLIY-QGZVFWFLSA-N 0 0 438.459 1.535 50 0 IDAARN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cnn(-c3cccc(F)c3)c2)o1 ZINC000670441754 569449599 /nfs/dbraw/zinc/44/95/99/569449599.db2.gz WXBRIJCIORDGHW-FQEVSTJZSA-N 0 0 425.464 1.920 50 0 IDAARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cnn(-c3cccc(F)c3)c2)o1 ZINC000670441755 569449616 /nfs/dbraw/zinc/44/96/16/569449616.db2.gz WXBRIJCIORDGHW-HXUWFJFHSA-N 0 0 425.464 1.920 50 0 IDAARN COC(=O)/C=C1\SCC(=O)N1CCCN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O ZINC000058180469 569449871 /nfs/dbraw/zinc/44/98/71/569449871.db2.gz SBYUUSBAFLIYCV-RERGGYADSA-N 0 0 431.470 1.518 50 0 IDAARN COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000003408609 569450010 /nfs/dbraw/zinc/45/00/10/569450010.db2.gz ZWOZHAXLGFYSPX-JOCHJYFZSA-N 0 0 425.441 1.593 50 0 IDAARN CC(C)[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC(N)=O ZINC000003426170 569450573 /nfs/dbraw/zinc/45/05/73/569450573.db2.gz SZUFTFSDDKIZFC-GOSISDBHSA-N 0 0 437.452 1.902 50 0 IDAARN COCCCn1c(C)cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1C ZINC000003433193 569450903 /nfs/dbraw/zinc/45/09/03/569450903.db2.gz HKYPKHVBKKRYCN-UHFFFAOYSA-N 0 0 447.513 1.606 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003463819 569451931 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431.470 1.174 50 0 IDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)NC(N)=O ZINC000003521187 569453219 /nfs/dbraw/zinc/45/32/19/569453219.db2.gz HCVAGCXIJUALAI-ZDUSSCGKSA-N 0 0 431.470 1.174 50 0 IDAARN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000003531345 569453442 /nfs/dbraw/zinc/45/34/42/569453442.db2.gz DTXWYOQXVVOUHA-QGZVFWFLSA-N 0 0 439.493 1.999 50 0 IDAARN Cn1c(N)c(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000003542392 569453642 /nfs/dbraw/zinc/45/36/42/569453642.db2.gz SBPWWGPBYOATJH-UHFFFAOYSA-N 0 0 438.469 1.482 50 0 IDAARN CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000003593073 569454548 /nfs/dbraw/zinc/45/45/48/569454548.db2.gz OWJQEDVBVLKJGW-QGZVFWFLSA-N 0 0 425.283 1.840 50 0 IDAARN C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000003594527 569454616 /nfs/dbraw/zinc/45/46/16/569454616.db2.gz DUDFTNQBHGMJSM-LJQANCHMSA-N 0 0 445.273 1.954 50 0 IDAARN COC(=O)C[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1 ZINC000058490095 569455284 /nfs/dbraw/zinc/45/52/84/569455284.db2.gz AONVSJHZJGKGEO-CQSZACIVSA-N 0 0 438.278 1.487 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1 ZINC000217970921 569455443 /nfs/dbraw/zinc/45/54/43/569455443.db2.gz GKHGWMCMKZGFBL-UHFFFAOYSA-N 0 0 436.918 1.298 50 0 IDAARN CCOC(=O)c1c(C)oc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c21 ZINC000031758734 569457233 /nfs/dbraw/zinc/45/72/33/569457233.db2.gz DAACFAVBGCFADI-UHFFFAOYSA-N 0 0 425.445 1.218 50 0 IDAARN CCc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000031773677 569457279 /nfs/dbraw/zinc/45/72/79/569457279.db2.gz OXCCUBQSSUQXKP-RBUKOAKNSA-N 0 0 428.510 1.992 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000031810683 569457682 /nfs/dbraw/zinc/45/76/82/569457682.db2.gz NLFRCMFAOAMPBL-OAQYLSRUSA-N 0 0 434.540 1.890 50 0 IDAARN O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000031811361 569457772 /nfs/dbraw/zinc/45/77/72/569457772.db2.gz CZPMHCFPELUQCA-LJQANCHMSA-N 0 0 438.503 1.639 50 0 IDAARN CN(CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(Cl)nn1 ZINC000031911647 569458372 /nfs/dbraw/zinc/45/83/72/569458372.db2.gz OYXVKVSSNIGUQV-UHFFFAOYSA-N 0 0 429.955 1.597 50 0 IDAARN CC(C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1 ZINC000032090680 569459625 /nfs/dbraw/zinc/45/96/25/569459625.db2.gz JVPXRFWQOVVKNR-KBPBESRZSA-N 0 0 432.340 1.899 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000032092123 569459665 /nfs/dbraw/zinc/45/96/65/569459665.db2.gz KRNHKSUBURSBJI-FQEVSTJZSA-N 0 0 440.525 1.406 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)CNC(=O)[C@H]1CC(=O)N(c3ccccc3)C1)CC2 ZINC000032101545 569460056 /nfs/dbraw/zinc/46/00/56/569460056.db2.gz LCXDEDKVQBESDH-SFHVURJKSA-N 0 0 437.496 1.758 50 0 biogenic IDAARN CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 ZINC000004124401 569460090 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IDAARN CCN1CCN(c2nc3ncn(CC(=O)NCc4ccc(F)cc4)c(=O)c3s2)CC1 ZINC000067225928 569465231 /nfs/dbraw/zinc/46/52/31/569465231.db2.gz KWYMIPQEAZGDPB-UHFFFAOYSA-N 0 0 430.509 1.450 50 0 IDAARN CCc1ccc(-n2c(=O)nc3nc(N4CCN(c5ncccn5)CC4)[nH]cc-3c2=O)cc1 ZINC000067264258 569466729 /nfs/dbraw/zinc/46/67/29/569466729.db2.gz DOFLKCFMSDSJNE-UHFFFAOYSA-N 0 0 430.472 1.560 50 0 IDAARN CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3Cl)NC(=O)N2)CC1 ZINC000067285830 569466912 /nfs/dbraw/zinc/46/69/12/569466912.db2.gz PKEDQMPWVILJSS-KRWDZBQOSA-N 0 0 436.896 1.895 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000067287122 569467129 /nfs/dbraw/zinc/46/71/29/569467129.db2.gz MQJMTSXZWRUCAY-LJQANCHMSA-N 0 0 446.504 1.640 50 0 IDAARN CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3cccc(OC)c3)NC(=O)N2)C1 ZINC000067287805 569467340 /nfs/dbraw/zinc/46/73/40/569467340.db2.gz KSXXJFYABFYKSQ-KXBFYZLASA-N 0 0 431.489 1.751 50 0 IDAARN CS(=O)(=O)c1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 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/nfs/dbraw/zinc/47/05/64/569470564.db2.gz LOIMBRSYZZHHFB-JOCHJYFZSA-N 0 0 438.440 1.353 50 0 IDAARN C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-n2cncn2)cc1 ZINC000008708075 569470644 /nfs/dbraw/zinc/47/06/44/569470644.db2.gz CTJGWPDFNZBXQR-KRWDZBQOSA-N 0 0 430.468 1.516 50 0 IDAARN O=C(CN1CCCC1=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008710348 569470855 /nfs/dbraw/zinc/47/08/55/569470855.db2.gz WFXBYZWSRPNHLM-UHFFFAOYSA-N 0 0 431.470 1.820 50 0 IDAARN CCCCN(C(=O)COC(=O)[C@]1(C)CC1(Cl)Cl)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000008718315 569471258 /nfs/dbraw/zinc/47/12/58/569471258.db2.gz LMXSEPGZZLDEAP-KRWDZBQOSA-N 0 0 449.335 1.789 50 0 IDAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2=O ZINC000008719117 569471394 /nfs/dbraw/zinc/47/13/94/569471394.db2.gz PBMVBAKXPIPTPG-YCRPNKLZSA-N 0 0 448.545 1.910 50 0 IDAARN COc1ccc(N(CC(F)(F)F)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000008720032 569471511 /nfs/dbraw/zinc/47/15/11/569471511.db2.gz HTUNCHRXDLPHJR-UHFFFAOYSA-N 0 0 425.367 1.038 50 0 IDAARN O=C(C(=O)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1)N1CCOCC1 ZINC000008724438 569471979 /nfs/dbraw/zinc/47/19/79/569471979.db2.gz MCCQTWHPWLWLEI-UHFFFAOYSA-N 0 0 435.480 1.454 50 0 IDAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008751580 569473497 /nfs/dbraw/zinc/47/34/97/569473497.db2.gz PWKVSQRAVGLMHO-UHFFFAOYSA-N 0 0 449.554 1.373 50 0 IDAARN O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC[C@H]1COc2ccccc2O1 ZINC000008756485 569474066 /nfs/dbraw/zinc/47/40/66/569474066.db2.gz GQQPNLXKKDUAJM-INIZCTEOSA-N 0 0 427.457 1.624 50 0 IDAARN C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008760452 569474252 /nfs/dbraw/zinc/47/42/52/569474252.db2.gz QDZXBMVBTFSPAQ-HOCLYGCPSA-N 0 0 445.497 1.253 50 0 IDAARN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)sc2nc3n(c(=O)c12)CCC3 ZINC000008762693 569474373 /nfs/dbraw/zinc/47/43/73/569474373.db2.gz BUSAUWVAKCHSQT-LLVKDONJSA-N 0 0 440.481 1.996 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1O)OC(C)(C)CC3 ZINC000008764288 569474595 /nfs/dbraw/zinc/47/45/95/569474595.db2.gz CVATZHPMBPCGPH-CVEARBPZSA-N 0 0 435.498 1.022 50 0 biogenic IDAARN O=C([O-])CNC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(Cl)cc1 ZINC000008764404 569474620 /nfs/dbraw/zinc/47/46/20/569474620.db2.gz XIYITRQCSCMGIO-HKUYNNGSSA-N 0 0 429.904 1.845 50 0 biogenic IDAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H]4CS(=O)(=O)C[C@@H]4O)c(C)c3cc2c1C ZINC000008765225 569474731 /nfs/dbraw/zinc/47/47/31/569474731.db2.gz CWLPYTGPRICPQL-SJORKVTESA-N 0 0 433.482 1.671 50 0 biogenic IDAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3cccnc3)s2)cc1 ZINC000008770611 569475139 /nfs/dbraw/zinc/47/51/39/569475139.db2.gz HYQTUEYYKIPZOL-GFMRDNFCSA-N 0 0 436.497 1.795 50 0 IDAARN CCOC(=O)NC(=O)c1cn(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O ZINC000008781920 569475724 /nfs/dbraw/zinc/47/57/24/569475724.db2.gz FKHNPPHNJLPFLV-UHFFFAOYSA-N 0 0 449.773 1.602 50 0 IDAARN Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000008790767 569476095 /nfs/dbraw/zinc/47/60/95/569476095.db2.gz HRLBJLBAUIJCAE-WKVINZIJSA-N 0 0 447.491 1.823 50 0 biogenic IDAARN C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008824806 569477235 /nfs/dbraw/zinc/47/72/35/569477235.db2.gz BMGQPENPGVDIDG-CQSZACIVSA-N 0 0 449.485 1.364 50 0 IDAARN COc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000008825487 569477372 /nfs/dbraw/zinc/47/73/72/569477372.db2.gz XVDVQFCPSFPQON-UHFFFAOYSA-N 0 0 446.431 1.867 50 0 IDAARN Cc1ccc(Nc2nc(COC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 ZINC000008826080 569477522 /nfs/dbraw/zinc/47/75/22/569477522.db2.gz SCEUWMRLUBCCMT-UHFFFAOYSA-N 0 0 440.485 1.686 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)OCC(=O)N2CCCc3ccccc32)nc1N ZINC000008826306 569477566 /nfs/dbraw/zinc/47/75/66/569477566.db2.gz HGPGAAIJLLOWTC-UHFFFAOYSA-N 0 0 430.486 1.850 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(C)cc1 ZINC000008849707 569479297 /nfs/dbraw/zinc/47/92/97/569479297.db2.gz MODWGAMIVFLCQX-UHFFFAOYSA-N 0 0 449.467 1.681 50 0 IDAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008868112 569480298 /nfs/dbraw/zinc/48/02/98/569480298.db2.gz KUBAFSYKCZBKBA-JTQLQIEISA-N 0 0 449.963 1.425 50 0 IDAARN NC(=O)Cn1c(CN2CCC(C(=O)N3CCCCCC3)CC2)nc2ccccc2c1=O ZINC000008879893 569481416 /nfs/dbraw/zinc/48/14/16/569481416.db2.gz ZKJSVAQIVPXLEZ-UHFFFAOYSA-N 0 0 425.533 1.496 50 0 IDAARN Cn1nc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2c1=O ZINC000008880274 569481419 /nfs/dbraw/zinc/48/14/19/569481419.db2.gz DYLTUTFLHBWZQS-UHFFFAOYSA-N 0 0 444.488 1.609 50 0 IDAARN CC(C)[C@@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)NC(N)=O ZINC000039581801 569481759 /nfs/dbraw/zinc/48/17/59/569481759.db2.gz UEAQYRUWQAHOHD-QGZVFWFLSA-N 0 0 433.486 1.541 50 0 IDAARN C[C@@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000039996342 569482364 /nfs/dbraw/zinc/48/23/64/569482364.db2.gz DDCBQYBZGPXEIW-GFCCVEGCSA-N 0 0 441.893 1.873 50 0 IDAARN Cc1cc(CN2CCN(C(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CC2)on1 ZINC000040013319 569482575 /nfs/dbraw/zinc/48/25/75/569482575.db2.gz NHGZPTVNQKKCDP-HXUWFJFHSA-N 0 0 434.562 1.939 50 0 IDAARN CN(C(=O)c1ccccc1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000008881782 569482915 /nfs/dbraw/zinc/48/29/15/569482915.db2.gz VTLZEIGGQJGLRT-OAHLLOKOSA-N 0 0 430.482 1.423 50 0 IDAARN O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000040060523 569484868 /nfs/dbraw/zinc/48/48/68/569484868.db2.gz FAOKKMIAILEQMN-UHFFFAOYSA-N 0 0 429.951 1.890 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)N2CCCc4ccccc42)c3=O)cc1OC ZINC000008903830 569484458 /nfs/dbraw/zinc/48/44/58/569484458.db2.gz MKWFFGJKTZUFTA-UHFFFAOYSA-N 0 0 446.467 1.974 50 0 IDAARN COC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000040051468 569484507 /nfs/dbraw/zinc/48/45/07/569484507.db2.gz DYVCUGYGXUVMTM-GOSISDBHSA-N 0 0 425.441 1.959 50 0 IDAARN CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)N(C)C)cc1 ZINC000040058502 569484684 /nfs/dbraw/zinc/48/46/84/569484684.db2.gz BOFUJVRDPAKNFH-LJQANCHMSA-N 0 0 425.576 1.738 50 0 IDAARN C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000040072446 569485902 /nfs/dbraw/zinc/48/59/02/569485902.db2.gz DONFSMQVLUPKAD-OAGGEKHMSA-N 0 0 428.530 1.124 50 0 IDAARN O=C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]2CCCC[C@H]12 ZINC000008932168 569487599 /nfs/dbraw/zinc/48/75/99/569487599.db2.gz FYCUCUDXCHKGHM-ROUUACIJSA-N 0 0 442.559 1.230 50 0 IDAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O ZINC000008936497 569488029 /nfs/dbraw/zinc/48/80/29/569488029.db2.gz FKFGSXSMMMGELU-FQEVSTJZSA-N 0 0 430.461 1.881 50 0 IDAARN O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000008945221 569489015 /nfs/dbraw/zinc/48/90/15/569489015.db2.gz KQQFWZXVBDFACS-UHFFFAOYSA-N 0 0 440.529 1.955 50 0 IDAARN COc1cccc(C(=O)NCCn2ncc3c2nc(SC)nc3N2CCOCC2)c1 ZINC000008947136 569489105 /nfs/dbraw/zinc/48/91/05/569489105.db2.gz MBFOXQRCGBGVPR-UHFFFAOYSA-N 0 0 428.518 1.823 50 0 IDAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000040119092 569489401 /nfs/dbraw/zinc/48/94/01/569489401.db2.gz ZAZLUWBMUHIDEM-AABGKKOBSA-N 0 0 426.941 1.728 50 0 IDAARN C[C@@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000040121860 569489569 /nfs/dbraw/zinc/48/95/69/569489569.db2.gz LAQZMVHVAWQQQC-AWEZNQCLSA-N 0 0 435.531 1.589 50 0 IDAARN CCCCN(C(=O)c1cnc2ccccn2c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000040129312 569489799 /nfs/dbraw/zinc/48/97/99/569489799.db2.gz BXMUQVBSMGXONA-UHFFFAOYSA-N 0 0 426.477 1.230 50 0 IDAARN O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000040129728 569489819 /nfs/dbraw/zinc/48/98/19/569489819.db2.gz CUBBTKMSQFGVNU-KRWDZBQOSA-N 0 0 429.498 1.974 50 0 IDAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CCN(c2ncccn2)CC1 ZINC000040132529 569490396 /nfs/dbraw/zinc/49/03/96/569490396.db2.gz YATHTOAJANYGAG-UHFFFAOYSA-N 0 0 425.489 1.955 50 0 IDAARN CCNS(=O)(=O)c1cccc(C(=O)N2CCCc3c(NS(C)(=O)=O)cccc32)c1 ZINC000040135066 569490641 /nfs/dbraw/zinc/49/06/41/569490641.db2.gz ZMCKWCOHJCYZRY-UHFFFAOYSA-N 0 0 437.543 1.949 50 0 IDAARN O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008966231 569491735 /nfs/dbraw/zinc/49/17/35/569491735.db2.gz VBZQKUSSOSJPQJ-UHFFFAOYSA-N 0 0 428.474 1.464 50 0 IDAARN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)o1 ZINC000040142131 569491839 /nfs/dbraw/zinc/49/18/39/569491839.db2.gz VBOYQRMNEXRCEN-RYUDHWBXSA-N 0 0 437.440 1.580 50 0 IDAARN CCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000040149822 569492651 /nfs/dbraw/zinc/49/26/51/569492651.db2.gz YARKVDSOBWHZTC-QGZVFWFLSA-N 0 0 438.550 1.703 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3onc4c3CCC4)cc2)CC1 ZINC000008976412 569492968 /nfs/dbraw/zinc/49/29/68/569492968.db2.gz PEKXNSOBBQMPHM-UHFFFAOYSA-N 0 0 448.501 1.878 50 0 IDAARN CNC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000040152030 569493331 /nfs/dbraw/zinc/49/33/31/569493331.db2.gz KDHBRBMYGNBVLH-IBGZPJMESA-N 0 0 427.482 1.975 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCn3ccnc3C)c2c1 ZINC000040151687 569493372 /nfs/dbraw/zinc/49/33/72/569493372.db2.gz ATVCRAZVRMQQTA-UHFFFAOYSA-N 0 0 445.545 1.884 50 0 IDAARN O=C(OCCNS(=O)(=O)c1ccccc1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000040153103 569493552 /nfs/dbraw/zinc/49/35/52/569493552.db2.gz YYQJXHUHURLTGW-UHFFFAOYSA-N 0 0 444.556 1.668 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCCc3nnnn3-c3ccccc3)CC2)cc1 ZINC000040153406 569493595 /nfs/dbraw/zinc/49/35/95/569493595.db2.gz LMAFKFTURGWQOF-UHFFFAOYSA-N 0 0 442.545 1.610 50 0 IDAARN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC1CCN(CC(N)=O)CC1 ZINC000040154898 569493820 /nfs/dbraw/zinc/49/38/20/569493820.db2.gz SPFCPNZZUSILJK-UHFFFAOYSA-N 0 0 434.338 1.931 50 0 IDAARN Cc1cc(NC(=O)CCC(=O)N2CCc3sccc3C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000040156700 569494209 /nfs/dbraw/zinc/49/42/09/569494209.db2.gz BWGACEZHYVLQCI-OAHLLOKOSA-N 0 0 436.559 1.916 50 0 IDAARN CCCN(CC(=O)N(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000040157850 569494352 /nfs/dbraw/zinc/49/43/52/569494352.db2.gz SKRAMLUFQJIQHH-UHFFFAOYSA-N 0 0 435.590 1.903 50 0 IDAARN CC(C)[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(=O)NC(N)=O ZINC000040159029 569494658 /nfs/dbraw/zinc/49/46/58/569494658.db2.gz FXMJCXSTBQOZIH-AWEZNQCLSA-N 0 0 431.898 1.501 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)C2=NNC(=O)CC2)ccc1C ZINC000040159897 569494783 /nfs/dbraw/zinc/49/47/83/569494783.db2.gz KJQHSDGRIGYIPD-CYBMUJFWSA-N 0 0 438.506 1.162 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)NC(=O)CS3)c(=O)[nH]c1=O ZINC000040160139 569495094 /nfs/dbraw/zinc/49/50/94/569495094.db2.gz JBHOZSZRFPTCBO-UHFFFAOYSA-N 0 0 447.517 1.256 50 0 IDAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000040162046 569495175 /nfs/dbraw/zinc/49/51/75/569495175.db2.gz JFLXQAMVFHUYRZ-AEFFLSMTSA-N 0 0 426.517 1.967 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc2c(c1)OCO2 ZINC000008991203 569495270 /nfs/dbraw/zinc/49/52/70/569495270.db2.gz DIYWBPPVNFODCV-OAHLLOKOSA-N 0 0 445.497 1.571 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O)c1ccc2c(c1)OCCO2 ZINC000009001229 569495955 /nfs/dbraw/zinc/49/59/55/569495955.db2.gz ZPTYSFPRDMTXGM-UHFFFAOYSA-N 0 0 430.420 1.656 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)NCc1ccccc1Cl ZINC000009001122 569495959 /nfs/dbraw/zinc/49/59/59/569495959.db2.gz SFYQNTMAGAVJBQ-UHFFFAOYSA-N 0 0 435.871 1.971 50 0 IDAARN COc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1OC ZINC000009001601 569495980 /nfs/dbraw/zinc/49/59/80/569495980.db2.gz UCDLPEBYGYYEEM-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)c1 ZINC000009001600 569495994 /nfs/dbraw/zinc/49/59/94/569495994.db2.gz YPRIEMHOTBRAES-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN COc1ccc(C)cc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O ZINC000009001514 569496006 /nfs/dbraw/zinc/49/60/06/569496006.db2.gz MFQDQTOJZZLEOG-UHFFFAOYSA-N 0 0 431.452 1.957 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000009001603 569496027 /nfs/dbraw/zinc/49/60/27/569496027.db2.gz MASMQCBYQDOCEV-UHFFFAOYSA-N 0 0 431.408 1.369 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1 ZINC000009001631 569496079 /nfs/dbraw/zinc/49/60/79/569496079.db2.gz AHFLLJMIJGIENM-UHFFFAOYSA-N 0 0 444.451 1.599 50 0 IDAARN CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 ZINC000009034229 569497268 /nfs/dbraw/zinc/49/72/68/569497268.db2.gz MEUXRWPSGKEJIB-KSZLIROESA-N 0 0 443.836 1.637 50 0 IDAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000009038114 569497416 /nfs/dbraw/zinc/49/74/16/569497416.db2.gz GPAYLCZWSWDSFN-UHFFFAOYSA-N 0 0 438.444 1.200 50 0 IDAARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 ZINC000040283513 569497856 /nfs/dbraw/zinc/49/78/56/569497856.db2.gz LRIDQYWAFAXKKH-OAHLLOKOSA-N 0 0 445.497 1.715 50 0 IDAARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 ZINC000040283516 569497857 /nfs/dbraw/zinc/49/78/57/569497857.db2.gz LRIDQYWAFAXKKH-HNNXBMFYSA-N 0 0 445.497 1.715 50 0 IDAARN COCCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000040286953 569498139 /nfs/dbraw/zinc/49/81/39/569498139.db2.gz ZKLDTXOYVZWTGM-NHCUHLMSSA-N 0 0 425.485 1.485 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)CC1 ZINC000040286965 569498164 /nfs/dbraw/zinc/49/81/64/569498164.db2.gz KJEPTXSDJPQOBW-UHFFFAOYSA-N 0 0 438.484 1.771 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1nccs1 ZINC000009047495 569498485 /nfs/dbraw/zinc/49/84/85/569498485.db2.gz MATTXNMYQRXJLZ-LBPRGKRZSA-N 0 0 426.495 1.438 50 0 IDAARN COc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000009047512 569498488 /nfs/dbraw/zinc/49/84/88/569498488.db2.gz YXMLBRDFLVMRCB-MRXNPFEDSA-N 0 0 431.514 1.851 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CCCn1ccnc1 ZINC000009059573 569499360 /nfs/dbraw/zinc/49/93/60/569499360.db2.gz NSESKIPBAGYOKB-UHFFFAOYSA-N 0 0 431.500 1.987 50 0 IDAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccn1 ZINC000009060820 569499486 /nfs/dbraw/zinc/49/94/86/569499486.db2.gz MRABKXRCCROMEB-DLBZAZTESA-N 0 0 430.530 1.303 50 0 IDAARN O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccn1 ZINC000009060970 569499517 /nfs/dbraw/zinc/49/95/17/569499517.db2.gz QGKMFPNKXSUSQB-KRWDZBQOSA-N 0 0 430.530 1.305 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)Nc3ccccn3)C2)cc1 ZINC000009061058 569499584 /nfs/dbraw/zinc/49/95/84/569499584.db2.gz WKKLKGWUXGMSKS-JKSUJKDBSA-N 0 0 446.529 1.634 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 ZINC000009068017 569500048 /nfs/dbraw/zinc/50/00/48/569500048.db2.gz ZMZTUOXPFGWLPV-GOSISDBHSA-N 0 0 443.481 1.713 50 0 IDAARN COCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(OC)cc1OC ZINC000245279058 569502086 /nfs/dbraw/zinc/50/20/86/569502086.db2.gz BDFITNPPYUXNGW-VQTJNVASSA-N 0 0 448.541 1.871 50 0 IDAARN Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009112571 569502451 /nfs/dbraw/zinc/50/24/51/569502451.db2.gz GFHVUDHSEJOHHS-UHFFFAOYSA-N 0 0 445.501 1.477 50 0 IDAARN CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2cc(OC)ccc2OC)c(=O)n(C)c1=O ZINC000009113989 569502575 /nfs/dbraw/zinc/50/25/75/569502575.db2.gz QSFJGFXGCICMAE-INIZCTEOSA-N 0 0 430.505 1.576 50 0 IDAARN CCCn1c(N)c(C(=O)CN2CCC[C@@H]2c2cc(OC)ccc2OC)c(=O)n(C)c1=O ZINC000009113988 569502582 /nfs/dbraw/zinc/50/25/82/569502582.db2.gz QSFJGFXGCICMAE-MRXNPFEDSA-N 0 0 430.505 1.576 50 0 IDAARN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000009119493 569503543 /nfs/dbraw/zinc/50/35/43/569503543.db2.gz QVUSIGALOFBJSP-UHFFFAOYSA-N 0 0 440.456 1.788 50 0 IDAARN Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000009119726 569503626 /nfs/dbraw/zinc/50/36/26/569503626.db2.gz LTWZCMFXLURWMC-UHFFFAOYSA-N 0 0 436.494 1.100 50 0 IDAARN COc1ccc(NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1S(N)(=O)=O ZINC000009120638 569503986 /nfs/dbraw/zinc/50/39/86/569503986.db2.gz ZDVFUDDKMJUFBP-UHFFFAOYSA-N 0 0 431.392 1.730 50 0 IDAARN O=C(CNC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(F)cc1 ZINC000009125289 569504591 /nfs/dbraw/zinc/50/45/91/569504591.db2.gz WOMBFQUUTMCUNQ-NRFANRHFSA-N 0 0 426.404 1.110 50 0 IDAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000009126205 569504852 /nfs/dbraw/zinc/50/48/52/569504852.db2.gz XXDQXQFUXQXIGE-UHFFFAOYSA-N 0 0 449.334 1.936 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C3CCCCC3)n2N)C1=O ZINC000009127344 569505185 /nfs/dbraw/zinc/50/51/85/569505185.db2.gz OLNJQCLGZYYSPC-FQEVSTJZSA-N 0 0 443.533 1.630 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000009129250 569505747 /nfs/dbraw/zinc/50/57/47/569505747.db2.gz ZQHFCOGKVNNSKS-UHFFFAOYSA-N 0 0 431.923 1.168 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)cc1OC ZINC000040478212 569506743 /nfs/dbraw/zinc/50/67/43/569506743.db2.gz HVKQLUHHPSKULU-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@H]2c3ccccc3N(C(C)C)C2=O)cc1OC ZINC000009133988 569506969 /nfs/dbraw/zinc/50/69/69/569506969.db2.gz GIUJARYHFUTRAN-FQEVSTJZSA-N 0 0 425.485 1.975 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)NC3CCCC3)C2)cc1 ZINC000009134309 569507044 /nfs/dbraw/zinc/50/70/44/569507044.db2.gz KHJORIAWKDCXIB-JKSUJKDBSA-N 0 0 437.562 1.659 50 0 IDAARN O=C([C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)N1CCC[C@H]1CO ZINC000009136086 569507120 /nfs/dbraw/zinc/50/71/20/569507120.db2.gz UBLSWCSNWVECMC-KKSFZXQISA-N 0 0 432.480 1.938 50 0 biogenic IDAARN O=C(CNC(=O)C(=O)NCCC1=CCCCC1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009154298 569508211 /nfs/dbraw/zinc/50/82/11/569508211.db2.gz DMYCNCLKFKQZHQ-IBGZPJMESA-N 0 0 447.557 1.330 50 0 IDAARN Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000069600322 569508979 /nfs/dbraw/zinc/50/89/79/569508979.db2.gz QOTNRSZOFCYEIS-UHFFFAOYSA-N 0 0 425.514 1.823 50 0 IDAARN C[C@@]1(CSc2ccccc2C(=O)NC[C@H]2COc3ccccc3O2)NC(=O)NC1=O ZINC000009167213 569509023 /nfs/dbraw/zinc/50/90/23/569509023.db2.gz FRBIYJMSRHXZGD-ZSEKCTLFSA-N 0 0 427.482 1.947 50 0 IDAARN CSCC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NC(C)C ZINC000009184337 569509955 /nfs/dbraw/zinc/50/99/55/569509955.db2.gz CWXDBPZHXNPUCW-WMZOPIPTSA-N 0 0 441.619 1.850 50 0 IDAARN COc1cccc(C[C@@H](C(=O)NCc2ccnc(-n3ccnc3C)c2)n2nnnc2C)c1 ZINC000069652699 569511519 /nfs/dbraw/zinc/51/15/19/569511519.db2.gz YZRNQIPZJTUIMS-FQEVSTJZSA-N 0 0 432.488 1.979 50 0 IDAARN COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4F)CC3)C2=O)cc1 ZINC000009216146 569512161 /nfs/dbraw/zinc/51/21/61/569512161.db2.gz QUBHDTQOYOVDHK-IBGZPJMESA-N 0 0 439.443 1.702 50 0 IDAARN CCCn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)OC1)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000009222798 569512838 /nfs/dbraw/zinc/51/28/38/569512838.db2.gz KCQRVXMMORSCHQ-CQSZACIVSA-N 0 0 429.429 1.341 50 0 IDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000009223906 569513062 /nfs/dbraw/zinc/51/30/62/569513062.db2.gz XMNKHBYAURRLHR-MRXNPFEDSA-N 0 0 447.513 1.606 50 0 IDAARN Cc1ccc2[nH]c(CCNC(=O)CCS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)nc2c1 ZINC000009228148 569513534 /nfs/dbraw/zinc/51/35/34/569513534.db2.gz VEHNYBAEPGUCOY-UHFFFAOYSA-N 0 0 440.525 1.913 50 0 IDAARN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C ZINC000069704177 569513733 /nfs/dbraw/zinc/51/37/33/569513733.db2.gz RCSKLZZSXVVDIL-KRWDZBQOSA-N 0 0 425.576 1.819 50 0 IDAARN CS(=O)(=O)NCCCCCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000009244427 569515065 /nfs/dbraw/zinc/51/50/65/569515065.db2.gz YQFJSJYKHQGTJC-UHFFFAOYSA-N 0 0 445.563 1.317 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000009245801 569515467 /nfs/dbraw/zinc/51/54/67/569515467.db2.gz FOFDYCIHVCUECL-UHFFFAOYSA-N 0 0 429.458 1.954 50 0 IDAARN CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3n[nH]c(=O)c4ccccc43)ccc21 ZINC000009253964 569516329 /nfs/dbraw/zinc/51/63/29/569516329.db2.gz JABZWRQIZXRBNQ-UHFFFAOYSA-N 0 0 441.465 1.675 50 0 IDAARN Cc1cc(C)n(CCCNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 ZINC000009255274 569516508 /nfs/dbraw/zinc/51/65/08/569516508.db2.gz HBCNQOGNXKWPIL-UHFFFAOYSA-N 0 0 429.546 1.867 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C[C@@H](C)O1 ZINC000009256863 569516771 /nfs/dbraw/zinc/51/67/71/569516771.db2.gz IIQNAOVFOSBSRB-IAGOWNOFSA-N 0 0 445.545 1.237 50 0 IDAARN O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009257197 569516809 /nfs/dbraw/zinc/51/68/09/569516809.db2.gz YAFRBQFULWTNAA-INIZCTEOSA-N 0 0 438.527 1.784 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(=O)n(C)n2)c1 ZINC000009285854 569519250 /nfs/dbraw/zinc/51/92/50/569519250.db2.gz VCHRUIBIVQLJJW-UHFFFAOYSA-N 0 0 433.534 1.663 50 0 IDAARN CN1C(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)=CC(c2ccc(F)cc2)=NS1(=O)=O ZINC000009290079 569519686 /nfs/dbraw/zinc/51/96/86/569519686.db2.gz BTLUTWFJWSPAKN-UHFFFAOYSA-N 0 0 436.509 1.406 50 0 IDAARN CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000009304688 569521169 /nfs/dbraw/zinc/52/11/69/569521169.db2.gz HFNMUXXJSLHBJP-UHFFFAOYSA-N 0 0 429.517 1.457 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C1 ZINC000009305412 569521301 /nfs/dbraw/zinc/52/13/01/569521301.db2.gz SIVXSHWQIGAVIK-SJORKVTESA-N 0 0 438.546 1.898 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C1 ZINC000009305411 569521312 /nfs/dbraw/zinc/52/13/12/569521312.db2.gz SIVXSHWQIGAVIK-IAGOWNOFSA-N 0 0 438.546 1.898 50 0 IDAARN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)n1 ZINC000069950440 569525302 /nfs/dbraw/zinc/52/53/02/569525302.db2.gz SPDACXCLQHYZKC-AWEZNQCLSA-N 0 0 430.486 1.760 50 0 IDAARN CCOC(=O)CN1c2ccccc2[C@@]2(c3c(C)[nH]nc3OC(N)=C2C(=O)OCC)C1=O ZINC000009375121 569527211 /nfs/dbraw/zinc/52/72/11/569527211.db2.gz SAJKIRDNQSYBRS-NRFANRHFSA-N 0 0 426.429 1.040 50 0 IDAARN COc1ccccc1-n1cnnc1SCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000009376673 569527363 /nfs/dbraw/zinc/52/73/63/569527363.db2.gz MGLDHSJGLLZYFF-UHFFFAOYSA-N 0 0 444.517 1.900 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)N1CCCC[C@H]1c1nc3ccccc3s1)c(=O)n2C ZINC000009378097 569527597 /nfs/dbraw/zinc/52/75/97/569527597.db2.gz FSIJUMUXAOLPQC-AWEZNQCLSA-N 0 0 438.513 1.797 50 0 IDAARN CS(=O)(=O)c1nc(C(=O)NCCC(=O)N2CCCc3ccccc32)c2ccccn21 ZINC000070004211 569527695 /nfs/dbraw/zinc/52/76/95/569527695.db2.gz OWCINXZNSRWKLR-UHFFFAOYSA-N 0 0 426.498 1.837 50 0 IDAARN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000070012759 569528528 /nfs/dbraw/zinc/52/85/28/569528528.db2.gz UHNCCEQUUMHGBL-UHFFFAOYSA-N 0 0 439.516 1.721 50 0 IDAARN O=C(COc1cccc(NC(=O)C2CC2)c1)N1CSC[C@H]1C(=O)NCC(F)(F)F ZINC000070019548 569528797 /nfs/dbraw/zinc/52/87/97/569528797.db2.gz QSAOMDNOZZQBHT-AWEZNQCLSA-N 0 0 431.436 1.994 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)cc2C[C@H]1C ZINC000009397014 569529235 /nfs/dbraw/zinc/52/92/35/569529235.db2.gz CHKIUYJMPYYEFU-BEFAXECRSA-N 0 0 449.573 1.680 50 0 IDAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000009396904 569529245 /nfs/dbraw/zinc/52/92/45/569529245.db2.gz GSJITRMACYBVKC-HNNXBMFYSA-N 0 0 445.541 1.930 50 0 IDAARN Cn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000009405580 569529983 /nfs/dbraw/zinc/52/99/83/569529983.db2.gz HVNBUWHEGJXMCO-UHFFFAOYSA-N 0 0 440.481 1.566 50 0 IDAARN Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000009407856 569530363 /nfs/dbraw/zinc/53/03/63/569530363.db2.gz IYWAVXGNAMQGMJ-UHFFFAOYSA-N 0 0 429.498 1.026 50 0 IDAARN C[C@H]1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000009407888 569530419 /nfs/dbraw/zinc/53/04/19/569530419.db2.gz OINHOOZBKHXEHK-AWEZNQCLSA-N 0 0 441.509 1.379 50 0 IDAARN COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(C[C@@H]5CCCO5)C(=O)[C@@H]24)O3)cc(OC)c1OC ZINC000009409823 569531152 /nfs/dbraw/zinc/53/11/52/569531152.db2.gz LQAIALVFPHCXFW-GQJVSRJRSA-N 0 0 444.484 1.612 50 0 IDAARN CC1(C)Cc2c(sc(NC(=O)C(=O)N(CCO)Cc3ccccc3)c2C(N)=O)CO1 ZINC000009410092 569531254 /nfs/dbraw/zinc/53/12/54/569531254.db2.gz LXTHUGRHRGEGEY-UHFFFAOYSA-N 0 0 431.514 1.658 50 0 IDAARN COC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCCC2)c1=O)COC(C)(C)C3 ZINC000009410520 569531373 /nfs/dbraw/zinc/53/13/73/569531373.db2.gz BKJQNHKXCZUHLE-UHFFFAOYSA-N 0 0 435.546 1.735 50 0 IDAARN COc1ccc(OC)c(NCCn2c(C)c(C)n3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000009421320 569532812 /nfs/dbraw/zinc/53/28/12/569532812.db2.gz RRQSGZZTVNJSAK-UHFFFAOYSA-N 0 0 426.477 1.433 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009430029 569533813 /nfs/dbraw/zinc/53/38/13/569533813.db2.gz XJDPSTHQIMPKBG-GRRFOWRYSA-N 0 0 426.491 1.898 50 0 IDAARN CN(C(=O)CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009430031 569533826 /nfs/dbraw/zinc/53/38/26/569533826.db2.gz QWVIVCGBRSHAPD-NWFCWYBLSA-N 0 0 426.491 1.898 50 0 IDAARN CC1(C)Cc2c(sc3c2c(=O)n(CCCO)c(=O)n3CC(=O)NCc2ccco2)CO1 ZINC000009435417 569534817 /nfs/dbraw/zinc/53/48/17/569534817.db2.gz BBBGXLOWDFUSHX-UHFFFAOYSA-N 0 0 447.513 1.368 50 0 IDAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)N[C@@H]1C=CS(=O)(=O)C1 ZINC000009435429 569534846 /nfs/dbraw/zinc/53/48/46/569534846.db2.gz ZMHMVIISSIMGCM-CQSZACIVSA-N 0 0 427.434 1.971 50 0 biogenic IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)NC(C)C)CC2)cc1 ZINC000009435799 569534876 /nfs/dbraw/zinc/53/48/76/569534876.db2.gz WPISCJRMSUVZSO-UHFFFAOYSA-N 0 0 438.550 1.077 50 0 IDAARN Cc1cccc2nc(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)cc(=O)n12 ZINC000009442812 569535657 /nfs/dbraw/zinc/53/56/57/569535657.db2.gz ZEKYIWYJJMWYCG-UHFFFAOYSA-N 0 0 426.498 1.969 50 0 IDAARN COCCCn1c(C(=O)N(CCOC)CCOC)cc2c1nc1c(C)cccn1c2=O ZINC000009452496 569536543 /nfs/dbraw/zinc/53/65/43/569536543.db2.gz WECWGAKIOGZONK-UHFFFAOYSA-N 0 0 430.505 1.729 50 0 IDAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC[C@@H]1CCCO1 ZINC000009453078 569536622 /nfs/dbraw/zinc/53/66/22/569536622.db2.gz JMWOZEJYHSBJPU-WJPUGNRLSA-N 0 0 445.516 1.247 50 0 IDAARN O=C(C(=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)N1CCOCC1 ZINC000009460022 569536914 /nfs/dbraw/zinc/53/69/14/569536914.db2.gz VTBWFVHARFHLBI-UHFFFAOYSA-N 0 0 449.573 1.426 50 0 IDAARN C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CS2 ZINC000009465587 569538001 /nfs/dbraw/zinc/53/80/01/569538001.db2.gz FXYRPRXRAGJMJF-MAUKXSAKSA-N 0 0 427.523 1.113 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3nnc(SCc4ccccc4)s3)c2c(=O)n(C)c1=O ZINC000009468142 569538528 /nfs/dbraw/zinc/53/85/28/569538528.db2.gz KZTNANFSNOBGIS-UHFFFAOYSA-N 0 0 443.514 1.216 50 0 IDAARN COc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1OC ZINC000009476902 569539157 /nfs/dbraw/zinc/53/91/57/569539157.db2.gz CGDJHSUTSRVQPQ-NRFANRHFSA-N 0 0 426.469 1.757 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000009477826 569539251 /nfs/dbraw/zinc/53/92/51/569539251.db2.gz NYEHSNYEHXCQLX-UHFFFAOYSA-N 0 0 437.905 1.972 50 0 IDAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 ZINC000009487697 569539747 /nfs/dbraw/zinc/53/97/47/569539747.db2.gz HYZPEQYNNJBXSX-KKSFZXQISA-N 0 0 429.517 1.964 50 0 IDAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O)CCCC2 ZINC000009492110 569540532 /nfs/dbraw/zinc/54/05/32/569540532.db2.gz GDOJEGGHXJMJOW-NSHDSACASA-N 0 0 437.474 1.274 50 0 IDAARN C[C@H](OC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NC(N)=O ZINC000009493418 569540761 /nfs/dbraw/zinc/54/07/61/569540761.db2.gz KPFVVAPKHSUKIF-LBPRGKRZSA-N 0 0 429.458 1.805 50 0 IDAARN COC(=O)[C@@H](CC(C)C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000009513499 569543067 /nfs/dbraw/zinc/54/30/67/569543067.db2.gz ZYGFPTYAJAVNNF-CQSZACIVSA-N 0 0 435.340 1.821 50 0 IDAARN CC(C)Cc1nc(SCC(=O)NCCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000009517420 569543598 /nfs/dbraw/zinc/54/35/98/569543598.db2.gz SLEUVCIFMFINQR-UHFFFAOYSA-N 0 0 441.557 1.677 50 0 IDAARN CCOC(=O)CC(=O)CSc1nc(-c2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000009517504 569543624 /nfs/dbraw/zinc/54/36/24/569543624.db2.gz KWUBOKMRSARZRP-UHFFFAOYSA-N 0 0 442.497 1.617 50 0 IDAARN COCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12 ZINC000009519938 569544359 /nfs/dbraw/zinc/54/43/59/569544359.db2.gz XHKDZVAOCDPGKA-UHFFFAOYSA-N 0 0 437.562 1.823 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1OC ZINC000009526111 569544471 /nfs/dbraw/zinc/54/44/71/569544471.db2.gz CQKPVQPTHPBKOT-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN CCOC(CCNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)OCC ZINC000009524572 569544496 /nfs/dbraw/zinc/54/44/96/569544496.db2.gz VKKRGZKIQYPYII-JKSUJKDBSA-N 0 0 441.575 1.886 50 0 IDAARN CN(C)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000009562976 569547383 /nfs/dbraw/zinc/54/73/83/569547383.db2.gz WAKGWALSVSLVRE-UHFFFAOYSA-N 0 0 425.894 1.866 50 0 IDAARN Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 ZINC000009575925 569547986 /nfs/dbraw/zinc/54/79/86/569547986.db2.gz GTHNDINPBPBMPP-UHFFFAOYSA-N 0 0 435.473 1.774 50 0 IDAARN O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCCC1 ZINC000009576875 569548121 /nfs/dbraw/zinc/54/81/21/569548121.db2.gz APJPEIUJHACTGO-SFHVURJKSA-N 0 0 441.525 1.518 50 0 IDAARN CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(=O)n(C)c1=O ZINC000009579246 569548466 /nfs/dbraw/zinc/54/84/66/569548466.db2.gz TUSXYNHSTHHDOU-INIZCTEOSA-N 0 0 442.516 1.720 50 0 IDAARN CCCn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O ZINC000009579184 569548483 /nfs/dbraw/zinc/54/84/83/569548483.db2.gz CWFHVELIVBJCEZ-OAHLLOKOSA-N 0 0 428.489 1.330 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009579970 569548675 /nfs/dbraw/zinc/54/86/75/569548675.db2.gz OWGZKGAGMQPIRN-KKSFZXQISA-N 0 0 433.530 1.196 50 0 IDAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000009580165 569548721 /nfs/dbraw/zinc/54/87/21/569548721.db2.gz QKGQBOGPXOVQDL-JQWIXIFHSA-N 0 0 425.488 1.591 50 0 IDAARN NC(=O)c1c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCC2 ZINC000009584547 569549368 /nfs/dbraw/zinc/54/93/68/569549368.db2.gz WTRZCXOWLOVSEC-NSHDSACASA-N 0 0 431.470 1.459 50 0 IDAARN CCCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009585150 569549506 /nfs/dbraw/zinc/54/95/06/569549506.db2.gz UZEFBNYGNGWMQU-HTAPYJJXSA-N 0 0 447.557 1.586 50 0 IDAARN Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(NS(C)(=O)=O)c3)n2)n1 ZINC000070655948 569550137 /nfs/dbraw/zinc/55/01/37/569550137.db2.gz IXBAZQYJQLKCDQ-AWEZNQCLSA-N 0 0 430.490 1.617 50 0 IDAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cn2nnn(-c3cccs3)c2=O)CC1 ZINC000009596497 569550820 /nfs/dbraw/zinc/55/08/20/569550820.db2.gz UOFMDUVSEYMFET-UHFFFAOYSA-N 0 0 428.474 1.527 50 0 IDAARN CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000009599591 569551293 /nfs/dbraw/zinc/55/12/93/569551293.db2.gz RGZFHMDYNVSBKG-HNNXBMFYSA-N 0 0 443.481 1.622 50 0 IDAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1 ZINC000009600272 569551506 /nfs/dbraw/zinc/55/15/06/569551506.db2.gz HHHIWLHUVRKHSJ-QGZVFWFLSA-N 0 0 437.905 1.120 50 0 IDAARN COCCn1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)c1C ZINC000009620003 569553380 /nfs/dbraw/zinc/55/33/80/569553380.db2.gz ZIWYXRXGCPWOBS-UHFFFAOYSA-N 0 0 426.466 1.595 50 0 IDAARN Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009619307 569553393 /nfs/dbraw/zinc/55/33/93/569553393.db2.gz SAVAVYUUSCIMOP-FQEVSTJZSA-N 0 0 432.546 1.822 50 0 IDAARN COCCNC(=O)NC(=O)COC(=O)c1cc(Br)c(Br)s1 ZINC000009630767 569553674 /nfs/dbraw/zinc/55/36/74/569553674.db2.gz NERQHDWQGYUMQY-UHFFFAOYSA-N 0 0 444.101 1.902 50 0 IDAARN C[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)NC(=O)NC1CCCCC1 ZINC000009633798 569554344 /nfs/dbraw/zinc/55/43/44/569554344.db2.gz PXTOBBSJJFYAEQ-JTQLQIEISA-N 0 0 444.282 1.862 50 0 IDAARN C[C@@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)NC(=O)NC1CCCCC1 ZINC000009633799 569554353 /nfs/dbraw/zinc/55/43/53/569554353.db2.gz PXTOBBSJJFYAEQ-SNVBAGLBSA-N 0 0 444.282 1.862 50 0 IDAARN O=C(CNS(=O)(=O)c1ccc(F)c(F)c1F)OCCN1C(=O)c2ccccc2C1=O ZINC000009634223 569554379 /nfs/dbraw/zinc/55/43/79/569554379.db2.gz RGDUOEIHQPBCHU-UHFFFAOYSA-N 0 0 442.371 1.222 50 0 IDAARN NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009643483 569555989 /nfs/dbraw/zinc/55/59/89/569555989.db2.gz CSGLFGKRNUVJML-KRWDZBQOSA-N 0 0 434.456 1.574 50 0 IDAARN CC(=O)NCCC(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009644880 569556101 /nfs/dbraw/zinc/55/61/01/569556101.db2.gz AWYNBFKNYHWDCN-UHFFFAOYSA-N 0 0 435.484 1.227 50 0 IDAARN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000009646174 569556279 /nfs/dbraw/zinc/55/62/79/569556279.db2.gz ORCIAIWUVXIDKW-KRWDZBQOSA-N 0 0 432.498 1.972 50 0 IDAARN CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009665600 569557564 /nfs/dbraw/zinc/55/75/64/569557564.db2.gz RVAVOCWUGQBIKN-XOBRGWDASA-N 0 0 433.486 1.235 50 0 IDAARN CCN(C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009665592 569557586 /nfs/dbraw/zinc/55/75/86/569557586.db2.gz RVAVOCWUGQBIKN-JLTOFOAXSA-N 0 0 433.486 1.235 50 0 IDAARN Cn1c2ncn(CCCC(=O)Nc3ncc(Cc4ccccc4)s3)c2c(=O)n(C)c1=O ZINC000009670326 569558263 /nfs/dbraw/zinc/55/82/63/569558263.db2.gz GEYBSXXNGVMWPI-UHFFFAOYSA-N 0 0 438.513 1.900 50 0 IDAARN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000009672703 569558862 /nfs/dbraw/zinc/55/88/62/569558862.db2.gz PJBXSGHQXROPOR-UHFFFAOYSA-N 0 0 428.514 1.624 50 0 IDAARN O=C([C@H]1COc2cc(S(=O)(=O)NCCc3ccccc3)ccc2O1)N1CCOCC1 ZINC000009683863 569560455 /nfs/dbraw/zinc/56/04/55/569560455.db2.gz ZZKJRVLQZVOZLB-HXUWFJFHSA-N 0 0 432.498 1.206 50 0 IDAARN O=C([C@@H]1COc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2O1)N1CCOCC1 ZINC000009683919 569560499 /nfs/dbraw/zinc/56/04/99/569560499.db2.gz KQZBPICRGRAATG-IBGZPJMESA-N 0 0 436.461 1.303 50 0 IDAARN COc1ccc(/C=C2\NC(=S)N(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000009705081 569561452 /nfs/dbraw/zinc/56/14/52/569561452.db2.gz LXKKKRIZMXDVFD-YBEGLDIGSA-N 0 0 446.510 1.039 50 0 IDAARN COCCN1N=C(c2ccc(Cl)cc2)Cn2c1nc1c2c(=O)n(CCOC)c(=O)n1C ZINC000009707542 569561545 /nfs/dbraw/zinc/56/15/45/569561545.db2.gz OWBQVLRMRJYZGN-UHFFFAOYSA-N 0 0 446.895 1.067 50 0 IDAARN CCOC(=O)c1ccc(-n2c(C)cn3c2nc2c3c(=O)n([C@H](C)C(C)=O)c(=O)n2C)cc1 ZINC000009713054 569562428 /nfs/dbraw/zinc/56/24/28/569562428.db2.gz WUHLDBXRKPDDMZ-CYBMUJFWSA-N 0 0 437.456 1.774 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O ZINC000009713008 569562442 /nfs/dbraw/zinc/56/24/42/569562442.db2.gz WOGLMDWCNKWWIW-UHFFFAOYSA-N 0 0 444.495 1.957 50 0 IDAARN COc1ccc(OC)c(-n2c(C)cn3c2nc2c3c(=O)n([C@H](C)C(C)=O)c(=O)n2C)c1 ZINC000009713116 569562476 /nfs/dbraw/zinc/56/24/76/569562476.db2.gz YOZMZKIKXZESQH-GFCCVEGCSA-N 0 0 425.445 1.614 50 0 IDAARN O=C(CSc1nnnn1Cc1cccs1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009714125 569562720 /nfs/dbraw/zinc/56/27/20/569562720.db2.gz UZFRNQHHHVIJRW-AWEZNQCLSA-N 0 0 441.604 1.833 50 0 IDAARN Cc1ccc(-c2nc(COC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 ZINC000009714969 569562932 /nfs/dbraw/zinc/56/29/32/569562932.db2.gz AKNMQAUOHBUTSK-UHFFFAOYSA-N 0 0 425.470 1.609 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1cccnc1 ZINC000009715291 569563092 /nfs/dbraw/zinc/56/30/92/569563092.db2.gz FWIMLZHTXZXJGA-INIZCTEOSA-N 0 0 436.559 1.509 50 0 IDAARN CCOC(=O)N1CCN(C(=O)COc2coc(CN3CCc4ccccc43)cc2=O)CC1 ZINC000009716456 569563190 /nfs/dbraw/zinc/56/31/90/569563190.db2.gz WDQMGNXKJTYYTO-UHFFFAOYSA-N 0 0 441.484 1.882 50 0 IDAARN CCn1c(SCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1C1CC1 ZINC000009721739 569563395 /nfs/dbraw/zinc/56/33/95/569563395.db2.gz QAMPENPCBXVVML-UHFFFAOYSA-N 0 0 449.602 1.942 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(F)c2)[C@H](C)O)cc1 ZINC000009724096 569563664 /nfs/dbraw/zinc/56/36/64/569563664.db2.gz UGQDLTBVYMXFRK-IFXJQAMLSA-N 0 0 438.477 1.652 50 0 IDAARN CCn1cc(C(=O)NCCCN2CCCC2=O)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009725571 569563801 /nfs/dbraw/zinc/56/38/01/569563801.db2.gz ADCHKHUWXWJOLV-UHFFFAOYSA-N 0 0 448.545 1.014 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000009727690 569564069 /nfs/dbraw/zinc/56/40/69/569564069.db2.gz OTOPAFSWIALCNW-UHFFFAOYSA-N 0 0 443.481 1.949 50 0 IDAARN CC1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C(=O)N3CCOCC3)s2)CC1 ZINC000009748254 569565912 /nfs/dbraw/zinc/56/59/12/569565912.db2.gz MJWHGAIDWVGETR-UHFFFAOYSA-N 0 0 443.591 1.536 50 0 IDAARN CN(CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)Cc1ccc2c(c1)OCO2 ZINC000009753697 569566174 /nfs/dbraw/zinc/56/61/74/569566174.db2.gz ACHILCRRSJIOEJ-UHFFFAOYSA-N 0 0 442.491 1.769 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000009764171 569566686 /nfs/dbraw/zinc/56/66/86/569566686.db2.gz HPWMFRZFHFXDCQ-FQEVSTJZSA-N 0 0 447.488 1.046 50 0 IDAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000009767616 569566924 /nfs/dbraw/zinc/56/69/24/569566924.db2.gz JENPVNPJFWDLIJ-HOTGVXAUSA-N 0 0 436.559 1.759 50 0 IDAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000009767620 569566931 /nfs/dbraw/zinc/56/69/31/569566931.db2.gz JENPVNPJFWDLIJ-JKSUJKDBSA-N 0 0 436.559 1.759 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000009775561 569566993 /nfs/dbraw/zinc/56/69/93/569566993.db2.gz IUPGRVVEBWICMY-UHFFFAOYSA-N 0 0 449.504 1.947 50 0 IDAARN Nc1nc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)nc(Nc2ccccc2)n1 ZINC000009780743 569567482 /nfs/dbraw/zinc/56/74/82/569567482.db2.gz PSUVOXPUFSQIHR-UHFFFAOYSA-N 0 0 427.490 1.192 50 0 IDAARN C[C@@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009782503 569567758 /nfs/dbraw/zinc/56/77/58/569567758.db2.gz VXPYBMAIQKIYMF-JTQLQIEISA-N 0 0 426.304 1.972 50 0 biogenic IDAARN O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009788835 569567992 /nfs/dbraw/zinc/56/79/92/569567992.db2.gz SQUFPDOWLMWOHS-UHFFFAOYSA-N 0 0 449.602 1.771 50 0 IDAARN Cn1nc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c2ccccc2c1=O ZINC000009797200 569568510 /nfs/dbraw/zinc/56/85/10/569568510.db2.gz KSKRQWHIMPIKIL-HNNXBMFYSA-N 0 0 445.479 1.991 50 0 IDAARN COc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccccc2)c1 ZINC000009806065 569568801 /nfs/dbraw/zinc/56/88/01/569568801.db2.gz RKGPNBISKNJHRG-KRWDZBQOSA-N 0 0 431.514 1.281 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000009806054 569568833 /nfs/dbraw/zinc/56/88/33/569568833.db2.gz IHOSBYWLCYXCIS-INIZCTEOSA-N 0 0 445.497 1.001 50 0 IDAARN COc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009806232 569568889 /nfs/dbraw/zinc/56/88/89/569568889.db2.gz YLUFDPDEGBGGSK-KRWDZBQOSA-N 0 0 431.514 1.912 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(OC)c2)cc1 ZINC000009806745 569568923 /nfs/dbraw/zinc/56/89/23/569568923.db2.gz HAZGOSABZCKFTR-MRXNPFEDSA-N 0 0 447.513 1.612 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000009806602 569568925 /nfs/dbraw/zinc/56/89/25/569568925.db2.gz IJHBXBZFPVARJG-QGZVFWFLSA-N 0 0 449.504 1.420 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2C)cc1 ZINC000009806826 569568965 /nfs/dbraw/zinc/56/89/65/569568965.db2.gz QFCCXGUOHPLTNJ-INIZCTEOSA-N 0 0 431.514 1.912 50 0 IDAARN COC(=O)c1ccc2c(c1)nc(COC(=O)CCNS(=O)(=O)c1ccccc1)[nH]c2=O ZINC000009823336 569569572 /nfs/dbraw/zinc/56/95/72/569569572.db2.gz DJBUZHCIUMROOJ-UHFFFAOYSA-N 0 0 445.453 1.122 50 0 IDAARN COC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1 ZINC000009827595 569569660 /nfs/dbraw/zinc/56/96/60/569569660.db2.gz NMFVUUZZPHSSSX-UHFFFAOYSA-N 0 0 446.529 1.952 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2C1=O)NCCS(=O)(=O)N1CCc2ccccc2C1 ZINC000009828372 569569753 /nfs/dbraw/zinc/56/97/53/569569753.db2.gz HVFLMAXNVBYNBQ-UHFFFAOYSA-N 0 0 441.509 1.177 50 0 IDAARN CCOC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)cc2)n(C)c1=O ZINC000009829483 569570108 /nfs/dbraw/zinc/57/01/08/569570108.db2.gz INVDFTRIJZEIDH-UHFFFAOYSA-N 0 0 439.472 1.717 50 0 IDAARN NC(=O)c1ccsc1NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009834594 569570568 /nfs/dbraw/zinc/57/05/68/569570568.db2.gz DDMNYBFBPGNQGS-UHFFFAOYSA-N 0 0 430.486 1.865 50 0 IDAARN C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000009839888 569570850 /nfs/dbraw/zinc/57/08/50/569570850.db2.gz DOZZOABYIGICAS-ZDUSSCGKSA-N 0 0 444.473 1.097 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@@H]1C[C@H](C)OC1=O ZINC000009871076 569572359 /nfs/dbraw/zinc/57/23/59/569572359.db2.gz PSNHWDGNPIRIHB-BLLLJJGKSA-N 0 0 425.532 1.873 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 ZINC000009905868 569573125 /nfs/dbraw/zinc/57/31/25/569573125.db2.gz NMWMJZHXPOAYBP-UHFFFAOYSA-N 0 0 430.530 1.730 50 0 IDAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000009948892 569574201 /nfs/dbraw/zinc/57/42/01/569574201.db2.gz BUCLZGDQOVSCCK-HTAPYJJXSA-N 0 0 445.541 1.338 50 0 IDAARN CCCCn1c(N)c(N(CC)C(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)c(=O)[nH]c1=O ZINC000009953389 569574673 /nfs/dbraw/zinc/57/46/73/569574673.db2.gz DRJROSQNPLRHDP-INIZCTEOSA-N 0 0 441.532 1.887 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000009959870 569575282 /nfs/dbraw/zinc/57/52/82/569575282.db2.gz ZFTHHGYEYLLFNF-LBPRGKRZSA-N 0 0 448.432 1.724 50 0 IDAARN O=C(Cn1c(=O)cnc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009960910 569575457 /nfs/dbraw/zinc/57/54/57/569575457.db2.gz WWFHHWDHLJGBJP-UHFFFAOYSA-N 0 0 446.916 1.583 50 0 IDAARN Cn1c2ncn(CC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000009968933 569575938 /nfs/dbraw/zinc/57/59/38/569575938.db2.gz ZHYGNUXFVSVEGE-MRXNPFEDSA-N 0 0 427.461 1.540 50 0 IDAARN COCCNS(=O)(=O)c1ccc(OC)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000009971438 569576273 /nfs/dbraw/zinc/57/62/73/569576273.db2.gz LQNRBRUAFPLFTL-UHFFFAOYSA-N 0 0 428.532 1.753 50 0 IDAARN COc1ccccc1CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000009984904 569576692 /nfs/dbraw/zinc/57/66/92/569576692.db2.gz UBLTVFMHNZNIKQ-UHFFFAOYSA-N 0 0 431.514 1.762 50 0 IDAARN COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000010030926 569577327 /nfs/dbraw/zinc/57/73/27/569577327.db2.gz OUSQSPHUILAGED-UHFFFAOYSA-N 0 0 444.469 1.205 50 0 IDAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000010054441 569577564 /nfs/dbraw/zinc/57/75/64/569577564.db2.gz HPWRUTRRVTXDKF-UHFFFAOYSA-N 0 0 433.472 1.273 50 0 IDAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000010054487 569577573 /nfs/dbraw/zinc/57/75/73/569577573.db2.gz PSNCMJDEBNVODJ-CYBMUJFWSA-N 0 0 432.488 1.836 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)n1CCCO ZINC000010103954 569577885 /nfs/dbraw/zinc/57/78/85/569577885.db2.gz XCKRYEQDOINUKV-UHFFFAOYSA-N 0 0 433.871 1.989 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000010109546 569577970 /nfs/dbraw/zinc/57/79/70/569577970.db2.gz XTCMHNXMNXENPY-HNNXBMFYSA-N 0 0 437.543 1.726 50 0 IDAARN Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3CCNc1ccccc1 ZINC000010108960 569577973 /nfs/dbraw/zinc/57/79/73/569577973.db2.gz WYZYXIIZGYCPKA-UHFFFAOYSA-N 0 0 429.484 1.770 50 0 IDAARN Cc1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000010188075 569578799 /nfs/dbraw/zinc/57/87/99/569578799.db2.gz XJRLOXOIWAIFQI-AWEZNQCLSA-N 0 0 440.481 1.656 50 0 IDAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCCn2ccnc2)CSC3)cc1 ZINC000010188258 569578833 /nfs/dbraw/zinc/57/88/33/569578833.db2.gz SYHMNGLFNTZSQN-UHFFFAOYSA-N 0 0 426.502 1.969 50 0 IDAARN CCCCn1c2nc(COC(=O)Cc3c(C)nn(C)c3C)n(CCC)c2c(=O)[nH]c1=O ZINC000010199952 569578920 /nfs/dbraw/zinc/57/89/20/569578920.db2.gz MZOLNJHNQAMYHK-UHFFFAOYSA-N 0 0 430.509 1.733 50 0 IDAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000010228016 569579303 /nfs/dbraw/zinc/57/93/03/569579303.db2.gz ZPQIQHDSRQHWCQ-UHFFFAOYSA-N 0 0 441.879 1.459 50 0 IDAARN CCOC(=O)Cn1c(C)cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C ZINC000010233588 569579617 /nfs/dbraw/zinc/57/96/17/569579617.db2.gz HVOLZPYMGAISCH-UHFFFAOYSA-N 0 0 447.854 1.862 50 0 IDAARN Cc1ccnc(SCCCn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000010248818 569579772 /nfs/dbraw/zinc/57/97/72/569579772.db2.gz IDSLUTTZBJWQAJ-CYBMUJFWSA-N 0 0 429.550 1.940 50 0 IDAARN CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000010274108 569580323 /nfs/dbraw/zinc/58/03/23/569580323.db2.gz VBMGCJNNWBLZKE-CQSZACIVSA-N 0 0 435.912 1.975 50 0 IDAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000010276963 569580421 /nfs/dbraw/zinc/58/04/21/569580421.db2.gz TXNYHGQUZMGAEX-JOCHJYFZSA-N 0 0 449.507 1.867 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000010282499 569580470 /nfs/dbraw/zinc/58/04/70/569580470.db2.gz DCSHLHVOLJPTBE-OAHLLOKOSA-N 0 0 443.529 1.297 50 0 IDAARN Cc1cccc(S(=O)(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2N)c1 ZINC000071772155 569580917 /nfs/dbraw/zinc/58/09/17/569580917.db2.gz BFWARDONUVARKV-UHFFFAOYSA-N 0 0 427.486 1.755 50 0 IDAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000010382251 569581750 /nfs/dbraw/zinc/58/17/50/569581750.db2.gz WWDUFLGELUPDEQ-CQSZACIVSA-N 0 0 434.967 1.822 50 0 IDAARN CCOC(=O)c1sc2nc(COC(=O)c3nc4nccc(C)n4n3)nc(N)c2c1C ZINC000010395912 569581886 /nfs/dbraw/zinc/58/18/86/569581886.db2.gz ZSRKCEXZONYNBM-UHFFFAOYSA-N 0 0 427.446 1.862 50 0 IDAARN O=C(Cn1c(=O)onc1-c1cccs1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000071826656 569582044 /nfs/dbraw/zinc/58/20/44/569582044.db2.gz IPLONTZRQMUCDQ-GFCCVEGCSA-N 0 0 439.540 1.842 50 0 IDAARN CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000010512428 569582606 /nfs/dbraw/zinc/58/26/06/569582606.db2.gz HIXNNMJSUVGKLD-UHFFFAOYSA-N 0 0 441.531 1.941 50 0 IDAARN COC(=O)c1nc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)sc1C(C)C ZINC000072405029 569583702 /nfs/dbraw/zinc/58/37/02/569583702.db2.gz AEKCSSAOLTYNPG-UHFFFAOYSA-N 0 0 437.499 2.226 50 0 IDAARN COC(=O)c1nc(NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)sc1CC(C)C ZINC000072400919 569583758 /nfs/dbraw/zinc/58/37/58/569583758.db2.gz XEVGAGCSZJGYSR-UHFFFAOYSA-N 0 0 430.486 2.491 50 0 IDAARN CCOC(=O)c1sc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)nc1C ZINC000049546003 569584381 /nfs/dbraw/zinc/58/43/81/569584381.db2.gz RZWCFHIFSSODQE-UHFFFAOYSA-N 0 0 431.518 2.099 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)CC1 ZINC000077099929 569585284 /nfs/dbraw/zinc/58/52/84/569585284.db2.gz NBRKJJFIRBXDGP-UHFFFAOYSA-N 0 0 443.573 1.653 50 0 IDAARN O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(CCn2ccnc2)CC1 ZINC000077099951 569585290 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IDAARN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccc([S@@](C)=O)cc2)CC1 ZINC000078307580 569586635 /nfs/dbraw/zinc/58/66/35/569586635.db2.gz UMKZAVHCRIQXSV-MHZLTWQESA-N 0 0 427.592 1.691 50 0 IDAARN CCOC(=O)CCn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O ZINC000000629654 193862841 /nfs/dbraw/zinc/86/28/41/193862841.db2.gz LBRKUHRIKDEJJJ-UHFFFAOYSA-N 0 0 435.278 1.661 50 0 IDAARN Cc1nn(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)c2cc3sccc3n21 ZINC000009848487 193906566 /nfs/dbraw/zinc/90/65/66/193906566.db2.gz JVYJSCIQKXENEQ-UHFFFAOYSA-N 0 0 445.526 1.025 50 0 IDAARN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000019789178 193919376 /nfs/dbraw/zinc/91/93/76/193919376.db2.gz SHCUIBFXJICMHK-IYBDPMFKSA-N 0 0 441.561 1.757 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)cc1 ZINC000096231308 193938379 /nfs/dbraw/zinc/93/83/79/193938379.db2.gz DWAAYRLUYKUZGY-LBPRGKRZSA-N 0 0 431.449 1.019 50 0 IDAARN O=C1CS[C@@H](c2ccccc2)N1N=c1nc(N2CCOCC2)nc(N2CCOCC2)[nH]1 ZINC000000711133 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CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 ZINC000008861011 132296602 /nfs/dbraw/zinc/29/66/02/132296602.db2.gz ILYDJJZLOIPRKB-WMLDXEAASA-N 0 0 449.554 1.689 50 0 IDAARN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000008897650 132297065 /nfs/dbraw/zinc/29/70/65/132297065.db2.gz AFGBCNSSACMUGD-UHFFFAOYSA-N 0 0 449.504 1.614 50 0 IDAARN COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc(Cl)c1)CN=3)C(=O)N2 ZINC000008974609 132299282 /nfs/dbraw/zinc/29/92/82/132299282.db2.gz GFZCPSRYQSXJQZ-MSUUIHNZSA-N 0 0 426.885 1.778 50 0 IDAARN O=C(NC1=NCCS1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000009118198 132304343 /nfs/dbraw/zinc/30/43/43/132304343.db2.gz SEQJLQNILBRMCR-UHFFFAOYSA-N 0 0 438.575 1.530 50 0 IDAARN O=C(c1ccc2c(c1)NC(=O)CS2)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009217584 132309351 /nfs/dbraw/zinc/30/93/51/132309351.db2.gz LNNBYPPLHGDKFR-SFHVURJKSA-N 0 0 439.493 1.997 50 0 IDAARN O=C(CN1C(=O)COc2ccccc21)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000009223230 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CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCO[C@H](c3ccccc3)C2)c1 ZINC000012762264 520789879 /nfs/dbraw/zinc/78/98/79/520789879.db2.gz FAJOGCSAFSWXDU-IBGZPJMESA-N 0 0 433.530 1.479 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000012530444 520792452 /nfs/dbraw/zinc/79/24/52/520792452.db2.gz IAWWAFPOWQANGV-UHFFFAOYSA-N 0 0 448.497 1.919 50 0 IDAARN CCOC(=O)COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1OC ZINC000012413389 520800529 /nfs/dbraw/zinc/80/05/29/520800529.db2.gz IMILJZHJQOPZSW-UHFFFAOYSA-N 0 0 435.502 1.543 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(SCC(=O)NC(=O)NCc2ccco2)nc1 ZINC000022119620 520808115 /nfs/dbraw/zinc/80/81/15/520808115.db2.gz LALCLHDGOKWIGX-UHFFFAOYSA-N 0 0 426.520 1.823 50 0 IDAARN CCOc1ccc(-c2ccc(=O)n(CCNC(=O)C3CCN(S(C)(=O)=O)CC3)n2)cc1 ZINC000042379573 520808875 /nfs/dbraw/zinc/80/88/75/520808875.db2.gz HWIBNLOIXALNSC-UHFFFAOYSA-N 0 0 448.545 1.097 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2ccco2)c1 ZINC000012530502 520818183 /nfs/dbraw/zinc/81/81/83/520818183.db2.gz QSMPNOXIVKADIY-UHFFFAOYSA-N 0 0 437.474 1.222 50 0 IDAARN CCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC[C@H]2CCCO2)cc1 ZINC000012137108 520902690 /nfs/dbraw/zinc/90/26/90/520902690.db2.gz BDBNHRYTTBNGFS-IAGOWNOFSA-N 0 0 449.529 1.013 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)CC[C@H](C)C3 ZINC000020591147 520914948 /nfs/dbraw/zinc/91/49/48/520914948.db2.gz KDWMRUUDLLOQKR-AWEZNQCLSA-N 0 0 435.546 1.245 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)C2CCN(c3nc4ccccc4[nH]c3=O)CC2)CC1 ZINC000022582808 520925877 /nfs/dbraw/zinc/92/58/77/520925877.db2.gz QVOSRNBHVOQBRU-UHFFFAOYSA-N 0 0 427.505 1.877 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000012322211 520943059 /nfs/dbraw/zinc/94/30/59/520943059.db2.gz VXMLEOYBVOVYRV-UHFFFAOYSA-N 0 0 427.505 1.926 50 0 biogenic IDAARN CC1CCC(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)CC1 ZINC000021928280 520945027 /nfs/dbraw/zinc/94/50/27/520945027.db2.gz VXZXOXBOVLIAQQ-UHFFFAOYSA-N 0 0 449.573 1.682 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cn2cc(NC(=O)Cc3ccccc3OC)cn2)CC1 ZINC000012282362 520947733 /nfs/dbraw/zinc/94/77/33/520947733.db2.gz LMMDEVKQGMDDEV-UHFFFAOYSA-N 0 0 429.477 1.374 50 0 IDAARN CCOC(=O)N1CCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000016478494 520953241 /nfs/dbraw/zinc/95/32/41/520953241.db2.gz IIPMQUQDHSDZJW-UHFFFAOYSA-N 0 0 446.957 1.693 50 0 IDAARN CCOC(=O)N1CCN([C@@H](c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697835 520957461 /nfs/dbraw/zinc/95/74/61/520957461.db2.gz MUBYZFJTTKQAGW-FQEVSTJZSA-N 0 0 430.505 1.767 50 0 IDAARN CCOC(=O)N1CCN([C@H](c2ccncc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697906 520959328 /nfs/dbraw/zinc/95/93/28/520959328.db2.gz VSLNETHEUOWTRT-HXUWFJFHSA-N 0 0 430.505 1.767 50 0 IDAARN CCOc1ccc(CNC(=O)C2=C(C)C(=O)OC23CCN(S(=O)(=O)CC)CC3)cc1 ZINC000020581850 520982519 /nfs/dbraw/zinc/98/25/19/520982519.db2.gz FDGZDSPGSYRJML-UHFFFAOYSA-N 0 0 436.530 1.759 50 0 biogenic IDAARN CCOc1ccc(CNC(=O)CCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000021020816 520984004 /nfs/dbraw/zinc/98/40/04/520984004.db2.gz ACYOIEZVJBNSPV-UHFFFAOYSA-N 0 0 431.518 1.787 50 0 IDAARN CCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C ZINC000012689503 521073187 /nfs/dbraw/zinc/07/31/87/521073187.db2.gz KHGBWFOHJJNANQ-UHFFFAOYSA-N 0 0 430.486 1.753 50 0 IDAARN CCOc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1S(=O)(=O)N(C)C ZINC000012732003 521076167 /nfs/dbraw/zinc/07/61/67/521076167.db2.gz DPENGAQKHRGDHV-UHFFFAOYSA-N 0 0 444.513 1.993 50 0 IDAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCCCOC ZINC000021926112 521167072 /nfs/dbraw/zinc/16/70/72/521167072.db2.gz XZXUIGKOJQIENJ-LJQANCHMSA-N 0 0 437.562 1.682 50 0 IDAARN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(NC(=O)COC)c2)cc1 ZINC000023100651 521202363 /nfs/dbraw/zinc/20/23/63/521202363.db2.gz OKKHXZBZNOUHLA-UHFFFAOYSA-N 0 0 435.502 1.977 50 0 IDAARN CCN(Cc1cc(=O)n2cccc(C)c2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021383938 521282669 /nfs/dbraw/zinc/28/26/69/521282669.db2.gz YUQSHGDVJAJNOL-UHFFFAOYSA-N 0 0 432.484 1.510 50 0 IDAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCc3ccc(OC)c(OC)c3)sc2n1 ZINC000020866030 521346303 /nfs/dbraw/zinc/34/63/03/521346303.db2.gz ALAHXVBXILGFMQ-UHFFFAOYSA-N 0 0 431.518 1.873 50 0 IDAARN CCC(C)(C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1 ZINC000035399098 521352579 /nfs/dbraw/zinc/35/25/79/521352579.db2.gz WPFXSDQDEDWWPB-UHFFFAOYSA-N 0 0 437.562 1.682 50 0 IDAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)c1C ZINC000025935631 521363478 /nfs/dbraw/zinc/36/34/78/521363478.db2.gz VQGNBQWPAQMQOV-UHFFFAOYSA-N 0 0 425.493 1.490 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1C ZINC000015634488 521375494 /nfs/dbraw/zinc/37/54/94/521375494.db2.gz JEVMDKOTKLKYCD-UHFFFAOYSA-N 0 0 433.530 1.997 50 0 IDAARN CCCCn1c2nc(COC(=O)c3cc(=O)[nH]c4ccccc43)n(CC)c2c(=O)[nH]c1=O ZINC000012519828 521376922 /nfs/dbraw/zinc/37/69/22/521376922.db2.gz PTJCUUOQARJPCN-UHFFFAOYSA-N 0 0 437.456 1.905 50 0 IDAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)NCC(F)(F)F)c1=O ZINC000012520467 521377033 /nfs/dbraw/zinc/37/70/33/521377033.db2.gz VBLVLVNNVOTSSQ-UHFFFAOYSA-N 0 0 427.383 1.480 50 0 IDAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000036724066 521386613 /nfs/dbraw/zinc/38/66/13/521386613.db2.gz UOQUQNTXLCQZNV-NSHDSACASA-N 0 0 431.536 1.203 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000012567705 521420001 /nfs/dbraw/zinc/42/00/01/521420001.db2.gz WYFSODKJUSWNMB-BFUOFWGJSA-N 0 0 439.559 1.257 50 0 IDAARN CCCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000008862329 521420909 /nfs/dbraw/zinc/42/09/09/521420909.db2.gz HUTDDEPKNBAZSV-CYBMUJFWSA-N 0 0 439.515 1.983 50 0 IDAARN CCOc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023762813 521456172 /nfs/dbraw/zinc/45/61/72/521456172.db2.gz ZBFUWNMHDXDJAR-UHFFFAOYSA-N 0 0 425.485 1.888 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000035376920 521494635 /nfs/dbraw/zinc/49/46/35/521494635.db2.gz JXMAMIBYMQKMAT-UHFFFAOYSA-N 0 0 425.441 1.929 50 0 IDAARN CCOc1ccccc1CNC(=O)c1cc(=O)n(CC)c2c1c(=O)n(CC)c(=O)n2C ZINC000035422360 521497734 /nfs/dbraw/zinc/49/77/34/521497734.db2.gz NTPJSJNURMWQMJ-UHFFFAOYSA-N 0 0 426.473 1.230 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccc(C(=O)N(C)C)cc32)c1 ZINC000035376872 521538957 /nfs/dbraw/zinc/53/89/57/521538957.db2.gz PJSFWYVCAVVKKS-UHFFFAOYSA-N 0 0 425.441 1.929 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)Cn2cnc3nc(N4CCCCC4)ncc3c2=O)c1 ZINC000033277291 521541205 /nfs/dbraw/zinc/54/12/05/521541205.db2.gz ASTCKOWYSPSJPL-UHFFFAOYSA-N 0 0 436.472 1.992 50 0 IDAARN CCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccccc3C(=O)OCC)c(=O)c21 ZINC000033059406 521607431 /nfs/dbraw/zinc/60/74/31/521607431.db2.gz GVITYMTYBJYZMU-UHFFFAOYSA-N 0 0 428.401 1.685 50 0 IDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c1=O ZINC000012727399 521632070 /nfs/dbraw/zinc/63/20/70/521632070.db2.gz UIQBZQKYLRLAGX-UHFFFAOYSA-N 0 0 435.912 1.439 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)c(=O)n(C)c1=O ZINC000021168014 521632335 /nfs/dbraw/zinc/63/23/35/521632335.db2.gz SGYJDEMAKSAUNY-UHFFFAOYSA-N 0 0 430.490 1.308 50 0 IDAARN CCN1CCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3cccc(OC)c3)on2)CC1 ZINC000036002461 521662034 /nfs/dbraw/zinc/66/20/34/521662034.db2.gz FYBAKHKUNHEPOL-UHFFFAOYSA-N 0 0 444.532 1.993 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(OC)cc4)c(=O)c3s2)CC1 ZINC000021886436 521701941 /nfs/dbraw/zinc/70/19/41/521701941.db2.gz OQEIJTJJVHSJMX-UHFFFAOYSA-N 0 0 428.518 1.642 50 0 IDAARN CCc1cccc(NC(=O)Cn2c(=O)c3c(C(=O)OC)cc(C4CC4)nc3n(C)c2=O)c1 ZINC000012413505 521754596 /nfs/dbraw/zinc/75/45/96/521754596.db2.gz QEAJWEDHDSTKGG-UHFFFAOYSA-N 0 0 436.468 1.960 50 0 IDAARN COC(=O)c1c2c(sc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C[C@H](C)CC2 ZINC000012525300 521783665 /nfs/dbraw/zinc/78/36/65/521783665.db2.gz CSZBCGPSRYVQKE-SNVBAGLBSA-N 0 0 445.501 1.045 50 0 IDAARN CCc1ccccc1NC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C3CC3)nc2n(C)c1=O ZINC000012413583 521882206 /nfs/dbraw/zinc/88/22/06/521882206.db2.gz GQWVHCAGPNVLPT-UHFFFAOYSA-N 0 0 436.468 1.960 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc3c(c2)OCO3)cn1C ZINC000035375960 521906899 /nfs/dbraw/zinc/90/68/99/521906899.db2.gz AFHHOUDNSFJQPK-HNNXBMFYSA-N 0 0 449.485 1.010 50 0 IDAARN CNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccc(NC(C)=O)cc3)nn2)cn1 ZINC000033310097 521922479 /nfs/dbraw/zinc/92/24/79/521922479.db2.gz QGIZUZWXQQFJMC-UHFFFAOYSA-N 0 0 425.474 1.711 50 0 IDAARN COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(N)=O ZINC000012447832 521952274 /nfs/dbraw/zinc/95/22/74/521952274.db2.gz LAIPIDSYQVUQMY-CXUHLZMHSA-N 0 0 438.440 1.399 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O ZINC000012342565 521968278 /nfs/dbraw/zinc/96/82/78/521968278.db2.gz VUVQPEDNHSWZRJ-VGWMRTNUSA-N 0 0 426.558 1.543 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1 ZINC000035597889 521980234 /nfs/dbraw/zinc/98/02/34/521980234.db2.gz UNSJUADFTLBSGM-AWEZNQCLSA-N 0 0 443.485 1.990 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000012642901 521983139 /nfs/dbraw/zinc/98/31/39/521983139.db2.gz BWXUDOZVAQZUKE-UHFFFAOYSA-N 0 0 428.898 1.393 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(COC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000012791837 521996860 /nfs/dbraw/zinc/99/68/60/521996860.db2.gz LFKXOQUCXZBZDX-UHFFFAOYSA-N 0 0 437.518 1.625 50 0 IDAARN COCCn1c(C)cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c1C ZINC000020853289 522061213 /nfs/dbraw/zinc/06/12/13/522061213.db2.gz SSMFHNKFBDWXTF-UHFFFAOYSA-N 0 0 433.486 1.216 50 0 IDAARN COCCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccncc1 ZINC000012634335 522072168 /nfs/dbraw/zinc/07/21/68/522072168.db2.gz WFBWGLIPZKLLEZ-UHFFFAOYSA-N 0 0 448.530 1.365 50 0 IDAARN COc1cc(C(=O)NCCC(=O)NC[C@H]2COc3ccccc3O2)cc(OC)c1OC ZINC000020664494 522106815 /nfs/dbraw/zinc/10/68/15/522106815.db2.gz YKXATGAJNIPVDM-HNNXBMFYSA-N 0 0 430.457 1.789 50 0 IDAARN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000032958696 522143778 /nfs/dbraw/zinc/14/37/78/522143778.db2.gz HUTCOUPZBCKTCL-LLVKDONJSA-N 0 0 429.926 1.986 50 0 IDAARN COc1cc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1OC(F)F ZINC000012535024 522168987 /nfs/dbraw/zinc/16/89/87/522168987.db2.gz YTSPOSPLXYUMHL-UHFFFAOYSA-N 0 0 438.387 1.291 50 0 IDAARN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c1OCCO2 ZINC000017185144 522171773 /nfs/dbraw/zinc/17/17/73/522171773.db2.gz ZMVGYCUJYYMTDF-NSHDSACASA-N 0 0 436.442 1.298 50 0 IDAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N ZINC000020793016 522172481 /nfs/dbraw/zinc/17/24/81/522172481.db2.gz RKILLWFNNIHRGV-CYBMUJFWSA-N 0 0 440.595 1.696 50 0 IDAARN COc1cc(C)c(CN2CCN(C(=O)CSc3nnnn3C3CC3)CC2)cc1OC ZINC000022286999 522190891 /nfs/dbraw/zinc/19/08/91/522190891.db2.gz MSEHFBPJEDSXGR-UHFFFAOYSA-N 0 0 432.550 1.770 50 0 IDAARN COc1cc(C2=NN(C(C)=O)[C@@H](Cn3nnc4ccccc43)O2)cc(OC)c1OC(C)=O ZINC000021093089 522308047 /nfs/dbraw/zinc/30/80/47/522308047.db2.gz MVZYXZKVLWGZDF-LJQANCHMSA-N 0 0 439.428 1.940 50 0 IDAARN COc1cc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc2c1OCO2 ZINC000020454992 522399983 /nfs/dbraw/zinc/39/99/83/522399983.db2.gz RQJASVFSQADWPC-UHFFFAOYSA-N 0 0 436.472 1.399 50 0 IDAARN CN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)s1 ZINC000021636889 522487135 /nfs/dbraw/zinc/48/71/35/522487135.db2.gz OQIZCDZWCRYTQC-UHFFFAOYSA-N 0 0 443.572 1.219 50 0 IDAARN CN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000021108810 522494536 /nfs/dbraw/zinc/49/45/36/522494536.db2.gz IRATYAWUSKIJIG-KRWDZBQOSA-N 0 0 429.498 1.832 50 0 IDAARN COc1cc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1 ZINC000035451992 522657218 /nfs/dbraw/zinc/65/72/18/522657218.db2.gz IRKSNGWACDKSJD-UHFFFAOYSA-N 0 0 449.485 1.602 50 0 IDAARN COc1cc(NC(=O)CS(=O)(=O)c2ccc3c(c2)S(=O)(=O)N=CN3)cc(OC)c1 ZINC000015780161 522664494 /nfs/dbraw/zinc/66/44/94/522664494.db2.gz KIXXWVYNWRGMSF-UHFFFAOYSA-N 0 0 439.471 1.259 50 0 IDAARN CC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Br)cc1 ZINC000012576211 522697666 /nfs/dbraw/zinc/69/76/66/522697666.db2.gz DWEWNSDRBRIKLH-CYBMUJFWSA-N 0 0 434.294 1.464 50 0 IDAARN COCC(=O)N1CCC(Oc2ccc(C(=O)NCC(C)(C)N3CCOCC3)cc2)CC1 ZINC000020784585 522736337 /nfs/dbraw/zinc/73/63/37/522736337.db2.gz IAPBBXNYYPQYAB-UHFFFAOYSA-N 0 0 433.549 1.543 50 0 IDAARN CN(CCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000021368245 522755617 /nfs/dbraw/zinc/75/56/17/522755617.db2.gz MSLSNGKTAGFXDJ-UHFFFAOYSA-N 0 0 444.557 1.835 50 0 IDAARN COCC(=O)Nc1cc2ncn(Cc3ccc(F)cc3)c2c(C(=O)N2CCNC(=O)C2)c1 ZINC000012242445 522782784 /nfs/dbraw/zinc/78/27/84/522782784.db2.gz CIFSIZNKTCCGPX-UHFFFAOYSA-N 0 0 439.447 1.381 50 0 IDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)NCCc1ccccc1 ZINC000024714831 522875148 /nfs/dbraw/zinc/87/51/48/522875148.db2.gz PQTHQMGYQWKKRM-UHFFFAOYSA-N 0 0 430.457 1.002 50 0 IDAARN COc1cc(OC)nc(NC(=O)COC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)n1 ZINC000010540071 522889851 /nfs/dbraw/zinc/88/98/51/522889851.db2.gz JCDCWLPCHUVSTJ-SFHVURJKSA-N 0 0 430.461 1.739 50 0 IDAARN COCc1cc(=O)[nH]c(S[C@@H]2CC(=O)N(c3ccc(N4CCOCC4)cc3)C2=O)n1 ZINC000001030219 522936772 /nfs/dbraw/zinc/93/67/72/522936772.db2.gz FINFZXHAQRJYFO-MRXNPFEDSA-N 0 0 430.486 1.589 50 0 IDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)NCc3ccco3)C(C)C)c(=O)c2cc1OC ZINC000020761305 523070958 /nfs/dbraw/zinc/07/09/58/523070958.db2.gz DGPWRPFHOPQCTG-FQEVSTJZSA-N 0 0 442.472 1.464 50 0 biogenic IDAARN CN(C[C@@H]1COCCO1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000012479564 523082192 /nfs/dbraw/zinc/08/21/92/523082192.db2.gz OVCFBFYKHQBYSL-MRXNPFEDSA-N 0 0 446.953 1.630 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1F)C(=O)OC ZINC000020724166 523119248 /nfs/dbraw/zinc/11/92/48/523119248.db2.gz DZFMOJLTSIXPFE-KSSFIOAISA-N 0 0 436.415 1.840 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000020763061 523119279 /nfs/dbraw/zinc/11/92/79/523119279.db2.gz 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COCCCN1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@@]1(C)C(=O)NCCC(C)C ZINC000021870367 523284766 /nfs/dbraw/zinc/28/47/66/523284766.db2.gz LXGCANPCWJIDNY-NRFANRHFSA-N 0 0 439.578 1.477 50 0 IDAARN COc1ccc(-c2noc(N3CCC(C(=O)NCCN4CCOCC4)CC3)n2)cc1OC ZINC000035447355 523297492 /nfs/dbraw/zinc/29/74/92/523297492.db2.gz RQAJUQFSXGXGDY-UHFFFAOYSA-N 0 0 445.520 1.419 50 0 IDAARN COc1ccc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000012792084 523336791 /nfs/dbraw/zinc/33/67/91/523336791.db2.gz CKMPHPPQZJIYET-UHFFFAOYSA-N 0 0 429.546 1.396 50 0 IDAARN COCCCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(C)cc1)N(C)C2=O ZINC000021877143 523366301 /nfs/dbraw/zinc/36/63/01/523366301.db2.gz XMVSGMUKSOGMLQ-QFIPXVFZSA-N 0 0 427.505 1.119 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2cccc(C)c2)n(C)c1=O ZINC000012231702 523390894 /nfs/dbraw/zinc/39/08/94/523390894.db2.gz ZNDKUDRQEWYWQZ-UHFFFAOYSA-N 0 0 436.472 1.229 50 0 IDAARN CN(Cc1ccco1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000021112367 523423793 /nfs/dbraw/zinc/42/37/93/523423793.db2.gz UCCWSQMIDMGDGP-UHFFFAOYSA-N 0 0 431.514 1.906 50 0 IDAARN CCn1cccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C)c1=O ZINC000023136320 523495500 /nfs/dbraw/zinc/49/55/00/523495500.db2.gz RKPAPWCPKZRRKR-UHFFFAOYSA-N 0 0 427.486 1.801 50 0 IDAARN COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(OC)c1 ZINC000012795297 523583398 /nfs/dbraw/zinc/58/33/98/523583398.db2.gz UPRIULCCEIWERL-NRFANRHFSA-N 0 0 436.428 1.329 50 0 IDAARN COc1ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc1S(=O)(=O)NC1CCCC1 ZINC000015817686 523599684 /nfs/dbraw/zinc/59/96/84/523599684.db2.gz OOAHYZFMPQYVST-UHFFFAOYSA-N 0 0 425.551 1.903 50 0 IDAARN CCn1nc(C)cc1C(=O)N1CCN(c2ncccc2C(=O)NC[C@H]2CCCO2)CC1 ZINC000022644371 523672870 /nfs/dbraw/zinc/67/28/70/523672870.db2.gz REOUIGOXAIULJP-QGZVFWFLSA-N 0 0 426.521 1.478 50 0 IDAARN COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000035681040 523681597 /nfs/dbraw/zinc/68/15/97/523681597.db2.gz IEGGQHKRRZVHNF-UHFFFAOYSA-N 0 0 448.570 1.758 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3cccnc3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876005 523730801 /nfs/dbraw/zinc/73/08/01/523730801.db2.gz NBGJLHAMIBSOHI-QHCPKHFHSA-N 0 0 432.484 1.369 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3ccccn3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875211 523730842 /nfs/dbraw/zinc/73/08/42/523730842.db2.gz BMOOKXYTOZLVML-QHCPKHFHSA-N 0 0 438.532 1.891 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3ccccc3F)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021874396 523731069 /nfs/dbraw/zinc/73/10/69/523731069.db2.gz VQPFEUQJAHAPQS-QFIPXVFZSA-N 0 0 427.480 1.855 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3ccccn3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021875998 523731661 /nfs/dbraw/zinc/73/16/61/523731661.db2.gz KHJHYPWZEREORH-QHCPKHFHSA-N 0 0 432.484 1.369 50 0 IDAARN CN1C(=O)c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C1=O ZINC000012139975 523735094 /nfs/dbraw/zinc/73/50/94/523735094.db2.gz MBNISARBLMYWCR-UHFFFAOYSA-N 0 0 429.454 1.186 50 0 IDAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)NCCCn3nc4n(c3=O)CCCC4)c2)n1 ZINC000069491059 523737545 /nfs/dbraw/zinc/73/75/45/523737545.db2.gz QMYQDDKSGLPNNP-UHFFFAOYSA-N 0 0 437.504 1.906 50 0 IDAARN CN(C(=O)CSc1nnc(NCCc2cccs2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000012857024 523841443 /nfs/dbraw/zinc/84/14/43/523841443.db2.gz BWFBECFNMCBGQP-LLVKDONJSA-N 0 0 432.618 1.992 50 0 IDAARN COc1ccc(C2(CNC(=O)C(=O)NC[C@@H]3COc4ccccc4O3)CCOCC2)cc1 ZINC000020868770 523867041 /nfs/dbraw/zinc/86/70/41/523867041.db2.gz HLRTVBFKSNLRQN-LJQANCHMSA-N 0 0 440.496 1.816 50 0 IDAARN COc1ccc(C2(CNC(=O)CCn3nnnc3CN3CCOCC3)CCCC2)cc1 ZINC000020776564 523868418 /nfs/dbraw/zinc/86/84/18/523868418.db2.gz HZJFSJUBMYHNDG-UHFFFAOYSA-N 0 0 428.537 1.532 50 0 IDAARN COC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000041157817 523892964 /nfs/dbraw/zinc/89/29/64/523892964.db2.gz VSQDCEWNLBOIII-INIZCTEOSA-N 0 0 425.913 1.670 50 0 IDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000012391090 523895049 /nfs/dbraw/zinc/89/50/49/523895049.db2.gz UNOZTNZYUZBEFZ-UHFFFAOYSA-N 0 0 432.527 1.776 50 0 IDAARN COc1ccc(CC(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012163962 523899770 /nfs/dbraw/zinc/89/97/70/523899770.db2.gz MNNGTPIPTFKPEU-UHFFFAOYSA-N 0 0 432.546 1.291 50 0 IDAARN CCc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528845 523923883 /nfs/dbraw/zinc/92/38/83/523923883.db2.gz OICLRCSTZRWODL-QHCPKHFHSA-N 0 0 443.569 1.928 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1 ZINC000020744303 523954277 /nfs/dbraw/zinc/95/42/77/523954277.db2.gz DZPNSOWYJMERMJ-UHFFFAOYSA-N 0 0 447.513 1.541 50 0 IDAARN CC[C@H](C)N1Cc2c(n(CC(=O)N3CCOCC3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000036014453 523962198 /nfs/dbraw/zinc/96/21/98/523962198.db2.gz MPDREERDROIKOJ-INIZCTEOSA-N 0 0 449.511 1.776 50 0 IDAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1OC ZINC000021927779 523966687 /nfs/dbraw/zinc/96/66/87/523966687.db2.gz HQZYSJRWHNLHLN-MRXNPFEDSA-N 0 0 436.534 1.197 50 0 IDAARN COCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000012137322 523970318 /nfs/dbraw/zinc/97/03/18/523970318.db2.gz VQQXPSRIPIQSIZ-AWEZNQCLSA-N 0 0 437.518 1.378 50 0 IDAARN CC[C@H](C)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000021137585 523974987 /nfs/dbraw/zinc/97/49/87/523974987.db2.gz ADWAAGXGZKDRNI-AWEZNQCLSA-N 0 0 440.518 1.316 50 0 IDAARN COc1ccc(CCNS(=O)(=O)c2c3c(c(OC)c4c2CCN(C)C4=O)OCO3)cc1 ZINC000263586275 523976575 /nfs/dbraw/zinc/97/65/75/523976575.db2.gz RZUKZQCBMNWWDY-UHFFFAOYSA-N 0 0 448.497 1.582 50 0 biogenic IDAARN COc1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC ZINC000001119586 523978451 /nfs/dbraw/zinc/97/84/51/523978451.db2.gz XYTHSMGWAGJFME-UHFFFAOYSA-N 0 0 430.509 1.217 50 0 IDAARN CN(C)C(=O)CN1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 ZINC000035361565 523987642 /nfs/dbraw/zinc/98/76/42/523987642.db2.gz BPZTVPIDEXWTJF-UHFFFAOYSA-N 0 0 442.589 1.528 50 0 IDAARN CN1N=C(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CCC1=O ZINC000012765367 524029228 /nfs/dbraw/zinc/02/92/28/524029228.db2.gz MZYMAYBZOAGVOT-UHFFFAOYSA-N 0 0 433.317 1.435 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCC2CCOCC2)c(OC)c1 ZINC000012432236 524034859 /nfs/dbraw/zinc/03/48/59/524034859.db2.gz CCRXVOYELYIUHC-HXUWFJFHSA-N 0 0 433.549 1.669 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccc(F)cc2)cc1OC ZINC000012195420 524034865 /nfs/dbraw/zinc/03/48/65/524034865.db2.gz VLMCYYNUKMWMCC-LJQANCHMSA-N 0 0 429.492 1.892 50 0 IDAARN CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(=O)NCCC(C)C)c2=O)CC1 ZINC000021921456 524047201 /nfs/dbraw/zinc/04/72/01/524047201.db2.gz LEMUWAZHSNGWFS-UHFFFAOYSA-N 0 0 448.589 1.939 50 0 IDAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCC2)N(C)C3=O)cc1 ZINC000021874164 524065985 /nfs/dbraw/zinc/06/59/85/524065985.db2.gz ZSHROVQPXSMNGE-HSZRJFAPSA-N 0 0 439.516 1.725 50 0 IDAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)cc1 ZINC000021874168 524066016 /nfs/dbraw/zinc/06/60/16/524066016.db2.gz ZSHROVQPXSMNGE-QHCPKHFHSA-N 0 0 439.516 1.725 50 0 IDAARN C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000012911341 524132720 /nfs/dbraw/zinc/13/27/20/524132720.db2.gz NCOBCQVAZGCONL-QAPCUYQASA-N 0 0 449.529 1.577 50 0 IDAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)Nc4ccccc4F)CN3C2=O)cc1 ZINC000014753615 524142521 /nfs/dbraw/zinc/14/25/21/524142521.db2.gz FYFGMVGLXHDCQS-JVPBZIDWSA-N 0 0 426.448 1.666 50 0 IDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O ZINC000012517464 524153153 /nfs/dbraw/zinc/15/31/53/524153153.db2.gz ARDNVYDPDIAYKS-UZUQRXQVSA-N 0 0 443.548 1.852 50 0 IDAARN C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000012911351 524162800 /nfs/dbraw/zinc/16/28/00/524162800.db2.gz NCOBCQVAZGCONL-CRAIPNDOSA-N 0 0 449.529 1.577 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(n3c4ccccc4[nH]c3=O)CC1)C2=O ZINC000012592300 524179816 /nfs/dbraw/zinc/17/98/16/524179816.db2.gz FFCMNLAYBIJKFU-CMJOXMDJSA-N 0 0 439.516 1.994 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)c1 ZINC000017063195 524188300 /nfs/dbraw/zinc/18/83/00/524188300.db2.gz RAEYMFUOPJXKOF-UHFFFAOYSA-N 0 0 440.525 1.546 50 0 IDAARN Cc1cccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 ZINC000012907696 524190648 /nfs/dbraw/zinc/19/06/48/524190648.db2.gz HQJPXWGHCHZLJU-UHFFFAOYSA-N 0 0 429.542 1.875 50 0 IDAARN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000042380971 524191222 /nfs/dbraw/zinc/19/12/22/524191222.db2.gz NNXXMBMCHYGEEI-AWEZNQCLSA-N 0 0 444.488 1.617 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCOCC3)ncc2c1=O ZINC000033277313 524231116 /nfs/dbraw/zinc/23/11/16/524231116.db2.gz FBXJEWYZKJDVDS-UHFFFAOYSA-N 0 0 430.852 1.324 50 0 IDAARN COc1ccc(Cn2ccn(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)c2=O)cc1 ZINC000020488671 524261175 /nfs/dbraw/zinc/26/11/75/524261175.db2.gz BSRBFEDRHUHUBU-UHFFFAOYSA-N 0 0 425.441 1.723 50 0 IDAARN COc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)n1 ZINC000012921075 524294337 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50 0 IDAARN Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000020286693 524419999 /nfs/dbraw/zinc/41/99/99/524419999.db2.gz ZPQYDVXRFRNXRI-UHFFFAOYSA-N 0 0 444.513 1.113 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000020744561 524446382 /nfs/dbraw/zinc/44/63/82/524446382.db2.gz GMIDINMCPAUQAN-CQSZACIVSA-N 0 0 427.457 1.820 50 0 IDAARN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(CN3CCCC3=O)CC2)cc1 ZINC000012586399 524461157 /nfs/dbraw/zinc/46/11/57/524461157.db2.gz OXISXMRUMCRUGQ-NRFANRHFSA-N 0 0 426.561 1.547 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000020613964 524490526 /nfs/dbraw/zinc/49/05/26/524490526.db2.gz QRVBSBFUALAWQN-LJQANCHMSA-N 0 0 425.485 1.530 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000012140270 524491645 /nfs/dbraw/zinc/49/16/45/524491645.db2.gz HBEWFLHWYQHGJO-MRXNPFEDSA-N 0 0 437.543 1.226 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012140185 524491865 /nfs/dbraw/zinc/49/18/65/524491865.db2.gz IJNVYGFTWAYUSL-HXUWFJFHSA-N 0 0 445.541 1.473 50 0 IDAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1F ZINC000012862191 524495066 /nfs/dbraw/zinc/49/50/66/524495066.db2.gz WCDDAELMFVGVON-UHFFFAOYSA-N 0 0 436.509 1.289 50 0 IDAARN Cc1ccc(CNC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1 ZINC000020487456 524500326 /nfs/dbraw/zinc/50/03/26/524500326.db2.gz JXAZCYJGWKUYBO-UHFFFAOYSA-N 0 0 427.324 1.720 50 0 IDAARN Cc1ccc(CNC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000021713860 524512708 /nfs/dbraw/zinc/51/27/08/524512708.db2.gz QMBOBPJOLBOZGK-UHFFFAOYSA-N 0 0 435.459 1.709 50 0 IDAARN COc1ccccc1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000021817741 524535998 /nfs/dbraw/zinc/53/59/98/524535998.db2.gz SGQPUDPDOMLLPG-KRWDZBQOSA-N 0 0 447.488 1.473 50 0 IDAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)o1 ZINC000035378910 524542712 /nfs/dbraw/zinc/54/27/12/524542712.db2.gz 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Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccc(F)cc3)CC2)c1 ZINC000012445089 524558618 /nfs/dbraw/zinc/55/86/18/524558618.db2.gz PLJDGHPPCZCWMR-UHFFFAOYSA-N 0 0 435.521 1.781 50 0 IDAARN Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)COc3ccccc3F)CC2)c1 ZINC000012445087 524559041 /nfs/dbraw/zinc/55/90/41/524559041.db2.gz WANPHFCMJPCVBJ-UHFFFAOYSA-N 0 0 435.521 1.781 50 0 IDAARN COc1ccccc1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N ZINC000020487676 524588681 /nfs/dbraw/zinc/58/86/81/524588681.db2.gz PMDGIZDOMBLOHO-UHFFFAOYSA-N 0 0 429.296 1.742 50 0 IDAARN COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020761937 524593165 /nfs/dbraw/zinc/59/31/65/524593165.db2.gz NISNGELSDOTHJU-UHFFFAOYSA-N 0 0 439.877 1.939 50 0 IDAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)c(OC)c1 ZINC000012408509 524611194 /nfs/dbraw/zinc/61/11/94/524611194.db2.gz BUWZEEBBALDTOF-ZDUSSCGKSA-N 0 0 427.461 1.842 50 0 IDAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000012808323 524673531 /nfs/dbraw/zinc/67/35/31/524673531.db2.gz ZKWXCSPFXQWQKO-SFHVURJKSA-N 0 0 431.514 1.822 50 0 IDAARN Cc1cccc(OCCNC(=O)COC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 ZINC000021762175 524743139 /nfs/dbraw/zinc/74/31/39/524743139.db2.gz NNAIHABDQDMILX-UHFFFAOYSA-N 0 0 440.543 1.500 50 0 IDAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1=O ZINC000012005938 524748420 /nfs/dbraw/zinc/74/84/20/524748420.db2.gz NCBHMOLUDOKEAG-AWEZNQCLSA-N 0 0 431.470 1.190 50 0 IDAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C(=O)N3CCN(C)CC3)C(C)C)no2)c1 ZINC000036016102 524791564 /nfs/dbraw/zinc/79/15/64/524791564.db2.gz INWQOSCOSFUOJX-HXUWFJFHSA-N 0 0 430.505 1.887 50 0 IDAARN C[C@H]1C[C@H](C)CN(C(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000021146641 524879204 /nfs/dbraw/zinc/87/92/04/524879204.db2.gz CPBMXHBJWPMQLI-RYUDHWBXSA-N 0 0 429.926 1.796 50 0 IDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccc(F)cc1 ZINC000011905962 524918320 /nfs/dbraw/zinc/91/83/20/524918320.db2.gz VTAYORAEJSJRRM-UHFFFAOYSA-N 0 0 426.491 1.722 50 0 IDAARN COc1ccc(OCC(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 ZINC000023134763 524929629 /nfs/dbraw/zinc/92/96/29/524929629.db2.gz HWFITAOKYSXJEX-UHFFFAOYSA-N 0 0 444.442 1.672 50 0 IDAARN C[C@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)C12CC3CC(CC(C3)C1)C2 ZINC000015314376 524932223 /nfs/dbraw/zinc/93/22/23/524932223.db2.gz YNPGLEHYRACKIM-NSDYXAQKSA-N 0 0 427.549 1.935 50 0 IDAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3c(c1)C(=O)N(C)C3=O)C2=O ZINC000024020862 524974311 /nfs/dbraw/zinc/97/43/11/524974311.db2.gz IPOLQQKTYIWBGT-VERVWZFWSA-N 0 0 426.473 1.988 50 0 IDAARN Cc1ccccc1-n1ccnc1SCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000022738786 525030460 /nfs/dbraw/zinc/03/04/60/525030460.db2.gz GDCIFVNJUTZQIA-QGZVFWFLSA-N 0 0 434.587 1.604 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C[C@H](C)O1 ZINC000012541155 525030831 /nfs/dbraw/zinc/03/08/31/525030831.db2.gz KKAINDYLNWPYSC-OKILXGFUSA-N 0 0 431.924 1.745 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccccc3)CC2)cc1OC ZINC000012784473 525034806 /nfs/dbraw/zinc/03/48/06/525034806.db2.gz MYYOCKDYCHAXQE-UHFFFAOYSA-N 0 0 447.557 1.669 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1OC ZINC000036007440 525037650 /nfs/dbraw/zinc/03/76/50/525037650.db2.gz ZGVRNAQBQRLXAB-UHFFFAOYSA-N 0 0 425.551 1.413 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1OC ZINC000020555147 525039603 /nfs/dbraw/zinc/03/96/03/525039603.db2.gz QCBSLPIWMOIZMH-UHFFFAOYSA-N 0 0 447.561 1.995 50 0 IDAARN Cc1ccc(NC(=O)CN(C)C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 ZINC000021375565 525043565 /nfs/dbraw/zinc/04/35/65/525043565.db2.gz WKFANNRWWVOKAS-UHFFFAOYSA-N 0 0 446.529 1.038 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000015421114 525044598 /nfs/dbraw/zinc/04/45/98/525044598.db2.gz DBSMQTJKKUFZAF-UHFFFAOYSA-N 0 0 443.525 1.751 50 0 IDAARN Cc1ccc(NC(=O)CN2CCN(C(=O)Cn3[nH]c(=O)c4ccccc4c3=O)CC2)cc1 ZINC000023731079 525052005 /nfs/dbraw/zinc/05/20/05/525052005.db2.gz FOHXQMHKUGLMGC-UHFFFAOYSA-N 0 0 435.484 1.193 50 0 IDAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000012410046 525056060 /nfs/dbraw/zinc/05/60/60/525056060.db2.gz KFUYGPMQDZXCHJ-INIZCTEOSA-N 0 0 443.529 1.813 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000012886490 525096330 /nfs/dbraw/zinc/09/63/30/525096330.db2.gz UBOTXQWYMZMJJP-UHFFFAOYSA-N 0 0 431.392 1.471 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000016103348 525096789 /nfs/dbraw/zinc/09/67/89/525096789.db2.gz YAXIMUFPNNBEMU-UHFFFAOYSA-N 0 0 433.534 1.527 50 0 IDAARN CS(=O)(=O)CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1Cc2ccccc2C1=O ZINC000020531465 525130180 /nfs/dbraw/zinc/13/01/80/525130180.db2.gz QONPZFHQOYLGEG-KRWDZBQOSA-N 0 0 430.482 1.856 50 0 IDAARN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000020511091 525137586 /nfs/dbraw/zinc/13/75/86/525137586.db2.gz UNCBBGUXLQUIQA-YWOLTOGESA-N 0 0 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Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)cc1 ZINC000012557234 525298196 /nfs/dbraw/zinc/29/81/96/525298196.db2.gz SPLSPNLCMSGGKR-UHFFFAOYSA-N 0 0 444.557 1.642 50 0 IDAARN C[C@H](NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000012932953 525307550 /nfs/dbraw/zinc/30/75/50/525307550.db2.gz YMVOKXQNZBZBCF-DMAKZNTKSA-N 0 0 436.534 1.273 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020745947 525401535 /nfs/dbraw/zinc/40/15/35/525401535.db2.gz HRVLHCDRJLLYHB-UHFFFAOYSA-N 0 0 426.882 1.064 50 0 IDAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3)nn2c(=O)c1CCC(=O)N1CCOCC1 ZINC000021804039 525450907 /nfs/dbraw/zinc/45/09/07/525450907.db2.gz HUKSAYKRCNLQES-UHFFFAOYSA-N 0 0 430.896 1.783 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000012845357 525538929 /nfs/dbraw/zinc/53/89/29/525538929.db2.gz RSDLKVIPWKDLAY-UHFFFAOYSA-N 0 0 435.933 1.911 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4n(C)c3=O)CC2)cc1C ZINC000012798050 525539113 /nfs/dbraw/zinc/53/91/13/525539113.db2.gz CUTQKVKNYORMFP-UHFFFAOYSA-N 0 0 442.541 1.490 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](NC(N)=O)c3ccccc3)CC2)cc1C ZINC000014345684 525539913 /nfs/dbraw/zinc/53/99/13/525539913.db2.gz NMLGUXGLHUXDTO-FQEVSTJZSA-N 0 0 444.557 1.936 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000021604203 525555753 /nfs/dbraw/zinc/55/57/53/525555753.db2.gz PTECKZRNEFZCFY-VYDXJSESSA-N 0 0 426.535 1.274 50 0 IDAARN Cc1c(C(=O)N2CCN(C)CC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000021146391 525581247 /nfs/dbraw/zinc/58/12/47/525581247.db2.gz BKIZHCUGZCWYLN-UHFFFAOYSA-N 0 0 431.562 1.413 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCC(C)CC3)C1)OCC(=O)N2 ZINC000035378794 525613731 /nfs/dbraw/zinc/61/37/31/525613731.db2.gz APHOFDUBPLSUHX-INIZCTEOSA-N 0 0 435.546 1.985 50 0 IDAARN COc1ccc2cc(CN(C)C(=O)CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc2c1 ZINC000022824645 525624718 /nfs/dbraw/zinc/62/47/18/525624718.db2.gz BCAHJQKXQCYHGM-NRFANRHFSA-N 0 0 445.585 1.612 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccncc2)c2ccco2)cc1 ZINC000017043352 525627340 /nfs/dbraw/zinc/62/73/40/525627340.db2.gz ARCPOLJVHYPRJY-IBGZPJMESA-N 0 0 427.482 1.931 50 0 IDAARN COc1cccc(C(=O)N2CCN(Cc3noc(CCC(=O)N4CCCCC4)n3)CC2)c1 ZINC000021530767 525804349 /nfs/dbraw/zinc/80/43/49/525804349.db2.gz GFGVTNBCNOKCJK-UHFFFAOYSA-N 0 0 441.532 1.981 50 0 IDAARN COc1cccc(C(=O)NCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000020629883 525816724 /nfs/dbraw/zinc/81/67/24/525816724.db2.gz ARTULBRMNGSUQF-UHFFFAOYSA-N 0 0 425.485 1.888 50 0 IDAARN C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)N1CCOCC1 ZINC000015221844 525888412 /nfs/dbraw/zinc/88/84/12/525888412.db2.gz PCDLZKQEXKXZAO-AWEZNQCLSA-N 0 0 444.937 1.919 50 0 IDAARN C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012535917 525895956 /nfs/dbraw/zinc/89/59/56/525895956.db2.gz RJIHXKFLEKJBHO-GFCCVEGCSA-N 0 0 425.484 1.890 50 0 IDAARN Cc1ccc(-n2nc(-c3noc(CCC(=O)Nc4cc(C)ccn4)n3)c(=O)n(C)c2=O)cc1 ZINC000035402351 525924927 /nfs/dbraw/zinc/92/49/27/525924927.db2.gz XUBAYWSLEMJONM-UHFFFAOYSA-N 0 0 447.455 1.564 50 0 IDAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCCCN1CCOCC1)nc2C ZINC000020563232 525936521 /nfs/dbraw/zinc/93/65/21/525936521.db2.gz VUPLVJSVGAMJQZ-GOSISDBHSA-N 0 0 438.532 1.599 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1ccc(C)c(C)c1 ZINC000020504080 525942595 /nfs/dbraw/zinc/94/25/95/525942595.db2.gz IQEUUZIYGNKJRG-UHFFFAOYSA-N 0 0 436.516 1.396 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1cccc(C)c1C ZINC000022409182 525943206 /nfs/dbraw/zinc/94/32/06/525943206.db2.gz IUDFPOJSEWKQSZ-UHFFFAOYSA-N 0 0 436.516 1.396 50 0 IDAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000035378228 525966503 /nfs/dbraw/zinc/96/65/03/525966503.db2.gz AVUKMVUEVRYQPL-UHFFFAOYSA-N 0 0 441.528 1.896 50 0 IDAARN COc1cccc(CNC(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1 ZINC000021029895 525968301 /nfs/dbraw/zinc/96/83/01/525968301.db2.gz IHXZGONTTJKWKR-UHFFFAOYSA-N 0 0 436.534 1.236 50 0 IDAARN C[C@H](On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(=O)Nc1ccccc1F ZINC000012889320 525971763 /nfs/dbraw/zinc/97/17/63/525971763.db2.gz JXGNBLLUCDNEFQ-ZDUSSCGKSA-N 0 0 449.464 1.047 50 0 IDAARN COc1cccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCCC(C)C)N(C)C3=O)c1 ZINC000021875757 526003514 /nfs/dbraw/zinc/00/35/14/526003514.db2.gz BUNHWUSGEJXFHE-QHCPKHFHSA-N 0 0 441.532 1.828 50 0 IDAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000033001812 526060853 /nfs/dbraw/zinc/06/08/53/526060853.db2.gz LUSWYWUJKCYHKP-CABCVRRESA-N 0 0 428.514 1.948 50 0 IDAARN COc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000021529028 526137721 /nfs/dbraw/zinc/13/77/21/526137721.db2.gz SSKMRDQXSUOPNA-JOCHJYFZSA-N 0 0 445.541 1.687 50 0 IDAARN COc1cccc(N2CCN(C(=O)CN(C)c3nnc(N4CCCCC4=O)s3)CC2)c1 ZINC000021027485 526148518 /nfs/dbraw/zinc/14/85/18/526148518.db2.gz XDXVQCXFOCTBBW-UHFFFAOYSA-N 0 0 444.561 1.849 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CC2=O)c1 ZINC000012553009 526162317 /nfs/dbraw/zinc/16/23/17/526162317.db2.gz DCPPLPZBBMIHED-LJQANCHMSA-N 0 0 437.496 1.837 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012782708 526167684 /nfs/dbraw/zinc/16/76/84/526167684.db2.gz LPJDMXZKSYWYSH-GFCCVEGCSA-N 0 0 428.308 1.862 50 0 IDAARN C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012767388 526188580 /nfs/dbraw/zinc/18/85/80/526188580.db2.gz UHEIRMRCKHGZAA-CLWVCHIJSA-N 0 0 428.441 1.668 50 0 IDAARN Cc1cc(C(=O)COC(=O)Cn2cnnn2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000020920465 526212135 /nfs/dbraw/zinc/21/21/35/526212135.db2.gz FMDRSASNCAUUFH-UHFFFAOYSA-N 0 0 449.471 1.305 50 0 IDAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035413777 526216407 /nfs/dbraw/zinc/21/64/07/526216407.db2.gz RHDDNCKIPBNYPD-HNNXBMFYSA-N 0 0 448.570 1.818 50 0 IDAARN COc1cccc(OCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000022733108 526228479 /nfs/dbraw/zinc/22/84/79/526228479.db2.gz SAAWEMWFTUBSCW-UHFFFAOYSA-N 0 0 447.557 1.505 50 0 IDAARN C[C@H]1CCCC[C@@]12NC(=O)N(CN(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O ZINC000012517465 526259700 /nfs/dbraw/zinc/25/97/00/526259700.db2.gz ARDNVYDPDIAYKS-GAJHUEQPSA-N 0 0 443.548 1.852 50 0 IDAARN O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1)N1CCCCCC1 ZINC000022090248 526307090 /nfs/dbraw/zinc/30/70/90/526307090.db2.gz UOHVCCAROPAURL-UHFFFAOYSA-N 0 0 436.578 1.722 50 0 IDAARN Cc1nn2c(-c3ccc(S(=O)(=O)N4CCN(CCO)CC4)o3)nnc2c2ccccc12 ZINC000020547722 526308539 /nfs/dbraw/zinc/30/85/39/526308539.db2.gz QQRKYPCZULOWAF-UHFFFAOYSA-N 0 0 442.501 1.145 50 0 IDAARN O=C(NCCNC(=O)c1ccc(F)cc1)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376814 526331017 /nfs/dbraw/zinc/33/10/17/526331017.db2.gz HYELTDHGIIEYNA-UHFFFAOYSA-N 0 0 432.433 1.342 50 0 IDAARN O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000020721738 526331373 /nfs/dbraw/zinc/33/13/73/526331373.db2.gz NCJUTFNYXTXQJJ-UHFFFAOYSA-N 0 0 437.475 1.502 50 0 IDAARN Cc1csc(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000021483157 526346547 /nfs/dbraw/zinc/34/65/47/526346547.db2.gz NAMRYHLCZBTKAV-UHFFFAOYSA-N 0 0 436.559 1.381 50 0 IDAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000023272328 526423970 /nfs/dbraw/zinc/42/39/70/526423970.db2.gz MHUSHGXSPFFVAC-GFCCVEGCSA-N 0 0 442.877 1.320 50 0 IDAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020511271 526425424 /nfs/dbraw/zinc/42/54/24/526425424.db2.gz NKVCWPVIABGCAV-LJQANCHMSA-N 0 0 437.562 1.141 50 0 IDAARN O=C(OCn1nnc2ccccc2c1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012530245 526432949 /nfs/dbraw/zinc/43/29/49/526432949.db2.gz MYIWBIVVTRWCFG-UHFFFAOYSA-N 0 0 440.437 1.678 50 0 IDAARN O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1)N1CCOCC1 ZINC000035362687 526454914 /nfs/dbraw/zinc/45/49/14/526454914.db2.gz SBPHNQAEXJPHEO-LJQANCHMSA-N 0 0 435.571 1.655 50 0 IDAARN O=C(CCCn1nnnc1CN1CCOCC1)NCc1cc(C(F)(F)F)ccc1F ZINC000014961289 526474004 /nfs/dbraw/zinc/47/40/04/526474004.db2.gz KADNRBMMNHBUTG-UHFFFAOYSA-N 0 0 430.406 1.760 50 0 IDAARN O=C(NCCn1ncc2c1ncnc2N1CCOCC1)C1(c2ccccc2)CCOCC1 ZINC000035590550 526477986 /nfs/dbraw/zinc/47/79/86/526477986.db2.gz JJBWODLTSLXXDU-UHFFFAOYSA-N 0 0 436.516 1.528 50 0 IDAARN O=C([C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CCN(Cc2ccncc2)CC1 ZINC000040087827 526497320 /nfs/dbraw/zinc/49/73/20/526497320.db2.gz XOUVRXOLIIZPFC-PMACEKPBSA-N 0 0 428.533 1.708 50 0 IDAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21)N1CCOCC1 ZINC000020995149 526519603 /nfs/dbraw/zinc/51/96/03/526519603.db2.gz JMTKHMHVSYWLFC-IBGZPJMESA-N 0 0 425.510 1.983 50 0 IDAARN O=C(NC[C@H]1COc2ccccc2O1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012180287 526625869 /nfs/dbraw/zinc/62/58/69/526625869.db2.gz OKMPPGPBZIGTBX-HOCLYGCPSA-N 0 0 425.441 1.702 50 0 IDAARN O=C(NC[C@H]1OCCc2ccccc21)c1coc(CN2CCN(c3ncccn3)CC2)n1 ZINC000019113624 526629417 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/nfs/dbraw/zinc/41/82/88/527418288.db2.gz MTPXVTACTMRAKB-UHFFFAOYSA-N 0 0 435.532 1.620 50 0 IDAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2ccccc21 ZINC000033040263 527437687 /nfs/dbraw/zinc/43/76/87/527437687.db2.gz FFRNJPKGCICWPA-UHFFFAOYSA-N 0 0 442.497 1.201 50 0 IDAARN Cn1nc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c2c1CCN(C(=O)C1CCCC1)C2 ZINC000035527148 527541031 /nfs/dbraw/zinc/54/10/31/527541031.db2.gz DYVZXWYFVIZKKO-INIZCTEOSA-N 0 0 427.549 1.626 50 0 IDAARN Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCc2ccccc21 ZINC000020487449 527564001 /nfs/dbraw/zinc/56/40/01/527564001.db2.gz UPZAVDHHBBETDX-UHFFFAOYSA-N 0 0 425.308 1.684 50 0 IDAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000012698928 527617626 /nfs/dbraw/zinc/61/76/26/527617626.db2.gz MHZDPLMHWLFITE-RUJXFNLJSA-N 0 0 444.509 1.677 50 0 IDAARN Cc1nn(C)c(C)c1CNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O ZINC000021944350 527632796 /nfs/dbraw/zinc/63/27/96/527632796.db2.gz GDOOGUUCYOHMLO-UHFFFAOYSA-N 0 0 431.496 1.878 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ZINC000009418416 535502739 /nfs/dbraw/zinc/50/27/39/535502739.db2.gz MIEAOWDLYIVPHW-RBUKOAKNSA-N 0 0 426.473 1.817 50 0 IDAARN CCCn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011796850 535582808 /nfs/dbraw/zinc/58/28/08/535582808.db2.gz JSLOESGSLSNMQQ-UHFFFAOYSA-N 0 0 427.480 1.550 50 0 IDAARN CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c1=O ZINC000008224290 535592567 /nfs/dbraw/zinc/59/25/67/535592567.db2.gz AESVHDJZQFVULG-UHFFFAOYSA-N 0 0 429.521 1.403 50 0 IDAARN CCOC(=O)c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n3C2)cc1 ZINC000003220218 535692625 /nfs/dbraw/zinc/69/26/25/535692625.db2.gz NOJWWZXLZKNGDK-ZCXUNETKSA-N 0 0 434.477 1.292 50 0 IDAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000004911198 535779004 /nfs/dbraw/zinc/77/90/04/535779004.db2.gz ADBFENBOJZBNAP-UHFFFAOYSA-N 0 0 426.517 1.505 50 0 IDAARN CCn1nnc2c1ncnc2N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013534607 535919114 /nfs/dbraw/zinc/91/91/14/535919114.db2.gz SNVCQVGWYYYNDD-UHFFFAOYSA-N 0 0 441.439 1.771 50 0 IDAARN COc1ccc(Cn2nnnc2SCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000009788809 536593221 /nfs/dbraw/zinc/59/32/21/536593221.db2.gz MJLIPHPYRWSCNA-UHFFFAOYSA-N 0 0 440.529 1.877 50 0 IDAARN COCCN(CC(=O)N1CCN(c2ccccn2)CC1)Cc1nnc(-c2cccs2)o1 ZINC000012985777 536812625 /nfs/dbraw/zinc/81/26/25/536812625.db2.gz NHPQOUTUOMHXJD-UHFFFAOYSA-N 0 0 442.545 1.990 50 0 IDAARN COc1ccccc1N1CCN2c3ccc(N)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 ZINC000009450848 537072147 /nfs/dbraw/zinc/07/21/47/537072147.db2.gz GMIMSPQFKIRMHR-HXUWFJFHSA-N 0 0 449.511 1.566 50 0 IDAARN COc1ccccc1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000009116827 537081787 /nfs/dbraw/zinc/08/17/87/537081787.db2.gz AEPPLNHYOBBUEX-UHFFFAOYSA-N 0 0 445.497 1.844 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c2c(nc1N1CCCCC1)n(C)c(=O)n(C)c2=O ZINC000000625643 555512400 /nfs/dbraw/zinc/51/24/00/555512400.db2.gz RFUWDJPCBUWILS-MRXNPFEDSA-N 0 0 427.505 1.172 50 0 IDAARN Cn1c2nc(N3CCCCCC3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000000625907 555512624 /nfs/dbraw/zinc/51/26/24/555512624.db2.gz LPKAXRDCCFUYHQ-OAHLLOKOSA-N 0 0 447.923 1.897 50 0 biogenic IDAARN CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000000637229 555516974 /nfs/dbraw/zinc/51/69/74/555516974.db2.gz OFJXVAYQYXWDET-KBPBESRZSA-N 0 0 431.493 1.093 50 0 IDAARN COc1cc(CNn2nnnc2N)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000000679392 555536908 /nfs/dbraw/zinc/53/69/08/555536908.db2.gz HMKAIQAIYDJQLS-UHFFFAOYSA-N 0 0 428.291 1.064 50 0 IDAARN CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000784215 555555790 /nfs/dbraw/zinc/55/57/90/555555790.db2.gz DOLWRQFIRWOUTK-UHFFFAOYSA-N 0 0 441.859 1.849 50 0 IDAARN COc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000000785689 555556388 /nfs/dbraw/zinc/55/63/88/555556388.db2.gz HTIDPSZWINKHMI-UHFFFAOYSA-N 0 0 431.514 1.614 50 0 IDAARN COc1ccc(-n2c(=O)c3cc4c(cc3c2=O)c(=O)n(-c2ccc(OC)cc2)c4=O)cc1 ZINC000000793746 555557710 /nfs/dbraw/zinc/55/77/10/555557710.db2.gz ADXXPBHDOJKTFE-UHFFFAOYSA-N 0 0 428.400 1.908 50 0 IDAARN Cc1c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(=O)n(-c2ccccc2)n1C ZINC000000814676 555561378 /nfs/dbraw/zinc/56/13/78/555561378.db2.gz RTCRVSAUWGNHMG-UHFFFAOYSA-N 0 0 427.486 1.476 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000000815545 555561845 /nfs/dbraw/zinc/56/18/45/555561845.db2.gz AWRANEIZIBPLPR-MRXNPFEDSA-N 0 0 426.516 1.953 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 ZINC000001120204 555637297 /nfs/dbraw/zinc/63/72/97/555637297.db2.gz NJJJOAXQKAHJHZ-UHFFFAOYSA-N 0 0 438.433 1.804 50 0 IDAARN CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1ccc(I)cc1 ZINC000001137001 555647486 /nfs/dbraw/zinc/64/74/86/555647486.db2.gz QQKLEOODSOYEGN-CYBMUJFWSA-N 0 0 438.287 1.352 50 0 IDAARN COC(=O)CCS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)CCC(=O)OC ZINC000001230289 555686555 /nfs/dbraw/zinc/68/65/55/555686555.db2.gz OZXFTSNPYNIBCW-UHFFFAOYSA-N 0 0 428.484 1.513 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccncc1 ZINC000001853537 555720809 /nfs/dbraw/zinc/72/08/09/555720809.db2.gz XWHTZVOXEHMPJI-SFHVURJKSA-N 0 0 431.330 1.061 50 0 IDAARN Cc1cccc(C)c1OC[C@H](O)CNS(=O)(=O)c1ccccc1C(=O)N1CCOCC1 ZINC000002202481 555757520 /nfs/dbraw/zinc/75/75/20/555757520.db2.gz YHFQYZZGVOXVEI-GOSISDBHSA-N 0 0 448.541 1.494 50 0 IDAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)cc1 ZINC000002443542 555779648 /nfs/dbraw/zinc/77/96/48/555779648.db2.gz XSGXLOKLJGWHFJ-UHFFFAOYSA-N 0 0 433.515 1.869 50 0 IDAARN CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2C[C@@H](OC(=O)c3ccccc3)[C@H](CO)O2)c(=O)[nH]1 ZINC000002575430 555788308 /nfs/dbraw/zinc/78/83/08/555788308.db2.gz LIOWMNSJEHKBBW-ILXRZTDVSA-N 0 0 441.444 1.220 50 0 IDAARN COCCN(C[C@@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667304 555791490 /nfs/dbraw/zinc/79/14/90/555791490.db2.gz VPCBQLNSNZGVJW-PMACEKPBSA-N 0 0 426.529 1.791 50 0 IDAARN COCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCN2CCOCC2)cc1 ZINC000034675459 555794056 /nfs/dbraw/zinc/79/40/56/555794056.db2.gz BSZGUISJXCNPMA-UHFFFAOYSA-N 0 0 443.519 1.996 50 0 IDAARN C[C@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(=O)NCc1cccnc1 ZINC000034678932 555798335 /nfs/dbraw/zinc/79/83/35/555798335.db2.gz UMJBJYNVKYLLJO-KRWDZBQOSA-N 0 0 446.511 1.759 50 0 IDAARN COCCN(C[C@@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1F ZINC000034691420 555804081 /nfs/dbraw/zinc/80/40/81/555804081.db2.gz AVQUBXIGBTYFSU-ROUUACIJSA-N 0 0 426.529 1.791 50 0 IDAARN COCCN(C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CCO1)C(=O)c1cccc(F)c1 ZINC000034691441 555804119 /nfs/dbraw/zinc/80/41/19/555804119.db2.gz HPOKLKIGCJOYPB-UXHICEINSA-N 0 0 426.529 1.791 50 0 IDAARN CC(=O)c1ccc(OC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 ZINC000002751309 555810303 /nfs/dbraw/zinc/81/03/03/555810303.db2.gz ARPSZEXXEGETMP-SFHVURJKSA-N 0 0 429.450 1.894 50 0 IDAARN CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccc(F)cc1)(C(F)(F)F)C(=O)N2 ZINC000002863661 555846372 /nfs/dbraw/zinc/84/63/72/555846372.db2.gz ZLQIBCZNLNQHJZ-QGZVFWFLSA-N 0 0 428.342 1.471 50 0 IDAARN COc1ccc(CCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC ZINC000002876193 555852364 /nfs/dbraw/zinc/85/23/64/555852364.db2.gz ZWBVLUDTSSSPAJ-UHFFFAOYSA-N 0 0 436.486 1.557 50 0 IDAARN COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002879369 555854281 /nfs/dbraw/zinc/85/42/81/555854281.db2.gz BEUGPVBIQSPYFW-UHFFFAOYSA-N 0 0 434.470 1.512 50 0 IDAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)c(Br)c1 ZINC000002882260 555856275 /nfs/dbraw/zinc/85/62/75/555856275.db2.gz AOVVAFOTKQZWHU-ZDUSSCGKSA-N 0 0 442.335 1.526 50 0 IDAARN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)C1 ZINC000071892535 555885828 /nfs/dbraw/zinc/88/58/28/555885828.db2.gz YEMAYIHNZSUGJE-NJYVYQBISA-N 0 0 447.601 1.235 50 0 IDAARN NC(=O)[C@H]1CCCN(C(=O)c2cc3n(n2)CCN(Cc2c(F)cccc2Cl)C3=O)C1 ZINC000034830835 555911928 /nfs/dbraw/zinc/91/19/28/555911928.db2.gz BXCWJUBVDQPCIX-LBPRGKRZSA-N 0 0 433.871 1.669 50 0 IDAARN COc1ccccc1OCc1nnc2n1N(C(=O)NCCCN1CCOCC1)CCS2 ZINC000034830960 555911997 /nfs/dbraw/zinc/91/19/97/555911997.db2.gz OTDMUOQWUBRUHW-UHFFFAOYSA-N 0 0 448.549 1.341 50 0 IDAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004166371 555971750 /nfs/dbraw/zinc/97/17/50/555971750.db2.gz OYLZNRHNLPWFGG-OAHLLOKOSA-N 0 0 431.445 1.114 50 0 IDAARN Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000004534345 555999952 /nfs/dbraw/zinc/99/99/52/555999952.db2.gz WBIIPXYJAMICNU-AWEZNQCLSA-N 0 0 428.511 1.556 50 0 IDAARN CC(=O)OC[C@@H]1O[C@@H](Sc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005084902 556032058 /nfs/dbraw/zinc/03/20/58/556032058.db2.gz JCKOUAWEMPKIAT-WPVAHCMFSA-N 0 0 440.470 1.862 50 0 IDAARN CNS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 ZINC000002694827 556121187 /nfs/dbraw/zinc/12/11/87/556121187.db2.gz QCNFFBFQISGRRE-UHFFFAOYSA-N 0 0 430.467 1.439 50 0 IDAARN CCn1ncc(NC(=O)CCn2cc(Br)c(C)n2)c1C(=O)N1CCOCC1 ZINC000002804818 556143232 /nfs/dbraw/zinc/14/32/32/556143232.db2.gz GBPFXKMYNIZUIX-UHFFFAOYSA-N 0 0 439.314 1.672 50 0 IDAARN Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000002809449 556146990 /nfs/dbraw/zinc/14/69/90/556146990.db2.gz RMYCESKBFYVHSA-UHFFFAOYSA-N 0 0 442.584 1.753 50 0 IDAARN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(OC)c3)c(=O)n12 ZINC000008426459 556168795 /nfs/dbraw/zinc/16/87/95/556168795.db2.gz ISQMATTYUBHJGP-SQWKQDNASA-N 0 0 436.489 1.868 50 0 IDAARN Cn1c2nc(NCCOCCO)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000008636790 556194690 /nfs/dbraw/zinc/19/46/90/556194690.db2.gz NXGHEWZERIRYDV-UHFFFAOYSA-N 0 0 442.303 1.210 50 0 IDAARN CC(=O)c1ccc(OC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 ZINC000008680998 556199277 /nfs/dbraw/zinc/19/92/77/556199277.db2.gz ARPSZEXXEGETMP-GOSISDBHSA-N 0 0 429.450 1.894 50 0 IDAARN Cc1nc(C)n(C[C@H](C)C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)n1 ZINC000008714473 556201812 /nfs/dbraw/zinc/20/18/12/556201812.db2.gz BNIQUXOHPPDKNJ-KRWDZBQOSA-N 0 0 433.578 1.989 50 0 IDAARN Cn1c2nc(N3CCN(C(=O)c4ccco4)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008775123 556213984 /nfs/dbraw/zinc/21/39/84/556213984.db2.gz QHDYOMXVYGKDSZ-UHFFFAOYSA-N 0 0 448.483 1.037 50 0 IDAARN Cn1c2cc(S(=O)(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc2oc1=O ZINC000008783088 556215026 /nfs/dbraw/zinc/21/50/26/556215026.db2.gz NEYGWSUTCTWFQH-UHFFFAOYSA-N 0 0 437.499 1.717 50 0 IDAARN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000097527153 556237206 /nfs/dbraw/zinc/23/72/06/556237206.db2.gz PSJFWERFRDMJIM-WAWSTRMLSA-N 0 0 445.608 1.454 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCC(=O)N2CCCCC2)s1 ZINC000008994294 556239270 /nfs/dbraw/zinc/23/92/70/556239270.db2.gz XYXHEOHHZIDIDD-UHFFFAOYSA-N 0 0 444.542 1.991 50 0 IDAARN Cc1c(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)c(=O)n(-c2ccccc2)n1C ZINC000009010484 556240976 /nfs/dbraw/zinc/24/09/76/556240976.db2.gz 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CC(=O)c1cc2c(cc1NC(=O)COC(=O)CSCC(=O)Nc1cc(C)on1)OCO2 ZINC000013002597 556434205 /nfs/dbraw/zinc/43/42/05/556434205.db2.gz BAOAYAPMTDNXFO-UHFFFAOYSA-N 0 0 449.441 1.768 50 0 IDAARN COc1cc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc2c1OCCO2 ZINC000027873085 556434624 /nfs/dbraw/zinc/43/46/24/556434624.db2.gz ASPXEUPWHLODGI-HNNXBMFYSA-N 0 0 429.425 1.922 50 0 IDAARN COc1cc(NC(=O)C2CCCC2)c(C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1OC ZINC000014707491 556435200 /nfs/dbraw/zinc/43/52/00/556435200.db2.gz YDWTWDOGEVXINU-UHFFFAOYSA-N 0 0 445.472 1.587 50 0 IDAARN CCCCN(C(=O)c1cccc(-n2cnnn2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014720401 556435801 /nfs/dbraw/zinc/43/58/01/556435801.db2.gz ICSNWOKGAMDJNR-UHFFFAOYSA-N 0 0 426.481 1.197 50 0 IDAARN Cc1cccc2c1ncn(CCCC(=O)OCCOc1ccc(S(N)(=O)=O)cc1)c2=O ZINC000032850639 556435818 /nfs/dbraw/zinc/43/58/18/556435818.db2.gz KHKDEFOHGZTPKW-UHFFFAOYSA-N 0 0 445.497 1.755 50 0 IDAARN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000032850819 556435939 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O=C(NCCN1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000016193581 556589309 /nfs/dbraw/zinc/58/93/09/556589309.db2.gz HGJWWPPDQGDTLG-UHFFFAOYSA-N 0 0 432.883 1.992 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000016301986 556598928 /nfs/dbraw/zinc/59/89/28/556598928.db2.gz BWDNWGXAEWJRJD-UHFFFAOYSA-N 0 0 431.436 1.995 50 0 IDAARN O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCOCC1 ZINC000032987542 556607711 /nfs/dbraw/zinc/60/77/11/556607711.db2.gz DLZLELOINKCAGR-UHFFFAOYSA-N 0 0 439.925 1.409 50 0 IDAARN COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCOCC3)s2)cc1 ZINC000032987800 556608271 /nfs/dbraw/zinc/60/82/71/556608271.db2.gz VOOZJQUULMQDJF-UHFFFAOYSA-N 0 0 433.534 1.570 50 0 IDAARN CN(C)c1nc(N(C#N)CCOc2ccc(Br)cc2)nc(N2CCOCC2)n1 ZINC000016475156 556610369 /nfs/dbraw/zinc/61/03/69/556610369.db2.gz QRMPLLUJKUXDAE-UHFFFAOYSA-N 0 0 448.325 1.903 50 0 IDAARN C[C@H](C(N)=O)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 ZINC000016587491 556616469 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CCOC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)cc1 ZINC000011744004 556649880 /nfs/dbraw/zinc/64/98/80/556649880.db2.gz NFRCBJSITFRQBG-UHFFFAOYSA-N 0 0 428.470 1.461 50 0 IDAARN CCc1nc(SCC(=O)Nc2cc(OC)ccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758071 556652213 /nfs/dbraw/zinc/65/22/13/556652213.db2.gz VYOURWGVEZQTQH-UHFFFAOYSA-N 0 0 445.501 1.338 50 0 IDAARN CCCc1nc(SCC(=O)Nc2ccc(F)cc2F)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758088 556652230 /nfs/dbraw/zinc/65/22/30/556652230.db2.gz SSMSTBIVXDIKNU-UHFFFAOYSA-N 0 0 435.456 1.989 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000032999915 556653465 /nfs/dbraw/zinc/65/34/65/556653465.db2.gz RVEDGNXWGKTOPN-UHFFFAOYSA-N 0 0 429.564 1.766 50 0 IDAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000033001813 556654312 /nfs/dbraw/zinc/65/43/12/556654312.db2.gz LUSWYWUJKCYHKP-LSDHHAIUSA-N 0 0 428.514 1.948 50 0 IDAARN CCOc1ccc(NC(=O)Cc2c(C)nc(N)[nH]c2=O)cc1S(=O)(=O)N1CCCC1 ZINC000032926131 556655183 /nfs/dbraw/zinc/65/51/83/556655183.db2.gz BSFSXXPJFYAOHL-UHFFFAOYSA-N 0 0 435.506 1.025 50 0 IDAARN COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc(C(N)=O)nn3)cc2)c(OC)c1OC ZINC000032926648 556655705 /nfs/dbraw/zinc/65/57/05/556655705.db2.gz RUXZATPVKBQRAJ-GFCCVEGCSA-N 0 0 425.445 1.883 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000017094905 556658143 /nfs/dbraw/zinc/65/81/43/556658143.db2.gz YHMFZCVIAQWJMV-UHFFFAOYSA-N 0 0 426.516 1.399 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1 ZINC000011835014 556659389 /nfs/dbraw/zinc/65/93/89/556659389.db2.gz FIHDSHXNSQSROH-UHFFFAOYSA-N 0 0 434.499 1.885 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000017097916 556662525 /nfs/dbraw/zinc/66/25/25/556662525.db2.gz DUPMOZRXJHTVEA-UHFFFAOYSA-N 0 0 432.470 1.669 50 0 IDAARN COc1ccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)cc1OC ZINC000011858293 556663577 /nfs/dbraw/zinc/66/35/77/556663577.db2.gz XSSJCYIJVZIPPM-UHFFFAOYSA-N 0 0 440.499 1.880 50 0 IDAARN C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C(=O)[C@@H]4CCCO4)CC3)c2C(N)=O)C1 ZINC000017099127 556664262 /nfs/dbraw/zinc/66/42/62/556664262.db2.gz WZQXNUSHHAGRFD-HIFRSBDPSA-N 0 0 434.562 1.234 50 0 IDAARN COc1cc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc(OC)c1OC ZINC000011867265 556664914 /nfs/dbraw/zinc/66/49/14/556664914.db2.gz UXFOHEKXMJPWPM-FQEVSTJZSA-N 0 0 442.468 1.837 50 0 IDAARN COc1cc2ncn(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(=O)c2cc1OC ZINC000043746990 556665077 /nfs/dbraw/zinc/66/50/77/556665077.db2.gz KFMHQQSBAPRORO-CABCVRRESA-N 0 0 436.468 1.221 50 0 biogenic IDAARN C[C@@H]1CCC[C@H](N2C[C@H](C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)CC2=O)[C@H]1C ZINC000248158590 556669843 /nfs/dbraw/zinc/66/98/43/556669843.db2.gz NDDRUJYRSUTKHP-OLMMMNRUSA-N 0 0 438.546 1.929 50 0 IDAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000011904596 556670348 /nfs/dbraw/zinc/67/03/48/556670348.db2.gz OASKQAKTZGLYHV-UHFFFAOYSA-N 0 0 438.483 1.269 50 0 IDAARN O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC000017155455 556670591 /nfs/dbraw/zinc/67/05/91/556670591.db2.gz ZJJKVHXZPBASCW-UHFFFAOYSA-N 0 0 443.500 1.808 50 0 IDAARN COc1ccc(CCNS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 ZINC000011904926 556670628 /nfs/dbraw/zinc/67/06/28/556670628.db2.gz RUYYJPHDRHATEO-AWEZNQCLSA-N 0 0 438.527 1.529 50 0 IDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccccc1F ZINC000011905961 556670992 /nfs/dbraw/zinc/67/09/92/556670992.db2.gz LWOXEFSTBUTJLG-UHFFFAOYSA-N 0 0 426.491 1.722 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)cc1 ZINC000017167792 556671199 /nfs/dbraw/zinc/67/11/99/556671199.db2.gz VDLXPXWNEKDKAP-INIZCTEOSA-N 0 0 430.530 1.781 50 0 IDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1cccs1 ZINC000011906109 556671335 /nfs/dbraw/zinc/67/13/35/556671335.db2.gz NBSVWZBOYCIOLT-UHFFFAOYSA-N 0 0 430.529 1.344 50 0 IDAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)N1CCC(C)CC1 ZINC000017179764 556671775 /nfs/dbraw/zinc/67/17/75/556671775.db2.gz WXTPTWYKZVNJQD-MRXNPFEDSA-N 0 0 426.608 1.757 50 0 IDAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O ZINC000032934437 556677527 /nfs/dbraw/zinc/67/75/27/556677527.db2.gz BPXPZSJXAPFRON-UHFFFAOYSA-N 0 0 430.468 1.968 50 0 IDAARN CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@@H]12 ZINC000248266179 556678087 /nfs/dbraw/zinc/67/80/87/556678087.db2.gz DWNHDAZTKYKHER-RGMXBJKRSA-N 0 0 442.468 1.431 50 0 IDAARN COc1ccccc1-n1cnn(CN2CCN(S(=O)(=O)c3ccn(C)c3)CC2)c1=S ZINC000032935402 556678188 /nfs/dbraw/zinc/67/81/88/556678188.db2.gz QZEQGNWWVCIPSZ-UHFFFAOYSA-N 0 0 448.574 1.714 50 0 IDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C ZINC000011997761 556679275 /nfs/dbraw/zinc/67/92/75/556679275.db2.gz SYHPBCYHTYINCP-HNNXBMFYSA-N 0 0 441.531 1.236 50 0 IDAARN COc1ccc(OC)c(CCNC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 ZINC000012005952 556680358 /nfs/dbraw/zinc/68/03/58/556680358.db2.gz BXRUWJKJPLQQEE-AWEZNQCLSA-N 0 0 432.498 1.989 50 0 biogenic IDAARN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000012016138 556681187 /nfs/dbraw/zinc/68/11/87/556681187.db2.gz HFXTUDPNLCUZCB-UHFFFAOYSA-N 0 0 446.547 1.153 50 0 IDAARN CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O ZINC000240067714 556682130 /nfs/dbraw/zinc/68/21/30/556682130.db2.gz RZSSLCQNNAGTQY-SWBPCFCJSA-N 0 0 431.482 1.239 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 ZINC000018271541 556688712 /nfs/dbraw/zinc/68/87/12/556688712.db2.gz NKUZGEIYYHPQJE-IBGZPJMESA-N 0 0 427.501 1.830 50 0 IDAARN COc1cccc(CN(CCS(=O)(=O)N2CCNCC2)C(=O)c2ccccc2F)c1 ZINC000046140909 556691726 /nfs/dbraw/zinc/69/17/26/556691726.db2.gz UNIWQYVHLCMAKV-UHFFFAOYSA-N 0 0 435.521 1.712 50 0 IDAARN COCCn1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)ccc21 ZINC000033023557 556693513 /nfs/dbraw/zinc/69/35/13/556693513.db2.gz QUQMMQQXZKIICV-INIZCTEOSA-N 0 0 449.577 1.927 50 0 IDAARN COCCn1nnc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)NCc3ccc(C)o3)ccc21 ZINC000033023584 556693535 /nfs/dbraw/zinc/69/35/35/556693535.db2.gz NDIRXLCESMOGPJ-IBGZPJMESA-N 0 0 447.517 1.449 50 0 IDAARN COCCn1nnc2cc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c3ccccc3)ccc21 ZINC000033024040 556694513 /nfs/dbraw/zinc/69/45/13/556694513.db2.gz MDMRIBASIWVRFM-OAHLLOKOSA-N 0 0 431.518 1.576 50 0 IDAARN CC(C)NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033024662 556696457 /nfs/dbraw/zinc/69/64/57/556696457.db2.gz GBMIKDMZIVZQRW-UHFFFAOYSA-N 0 0 445.501 1.896 50 0 IDAARN CN(C)C(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033024667 556696669 /nfs/dbraw/zinc/69/66/69/556696669.db2.gz NWODLOCSXUJJIV-UHFFFAOYSA-N 0 0 431.474 1.460 50 0 IDAARN Cc1ccc2c(c1)N(C(=O)Cn1cc(S(=O)(=O)N3CCCCC3)ccc1=O)CCO2 ZINC000049410449 556704724 /nfs/dbraw/zinc/70/47/24/556704724.db2.gz YBJOYTZOOVMKEE-UHFFFAOYSA-N 0 0 431.514 1.757 50 0 IDAARN CCCc1ccc(S(=O)(=O)N2CCN([C@@]3(CC)CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000065292220 556707231 /nfs/dbraw/zinc/70/72/31/556707231.db2.gz HBZWDIPJNZCPFK-FQEVSTJZSA-N 0 0 443.635 1.760 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)NC4=O)CC2)cc1 ZINC000011126737 556710398 /nfs/dbraw/zinc/71/03/98/556710398.db2.gz IJBSPIVZIPECJH-UHFFFAOYSA-N 0 0 427.482 1.918 50 0 IDAARN COc1cc2ncn(CCCC(=O)N3CCC[C@H](NC(=O)C(C)C)C3)c(=O)c2cc1OC ZINC000060344851 556714883 /nfs/dbraw/zinc/71/48/83/556714883.db2.gz DFBXXTKPYYDJPB-INIZCTEOSA-N 0 0 444.532 1.957 50 0 IDAARN O=C(Cn1ccc2ccc(Br)cc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000061718185 556724386 /nfs/dbraw/zinc/72/43/86/556724386.db2.gz PZQHROQHKBVWRB-INIZCTEOSA-N 0 0 440.363 1.735 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)n2cc3c(n2)n(C(C)C)c(=O)n(C(C)C)c3=O)c1 ZINC000033038397 556725266 /nfs/dbraw/zinc/72/52/66/556725266.db2.gz WCOYZUSUYODYKL-UHFFFAOYSA-N 0 0 436.490 1.776 50 0 IDAARN O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCN(c2ncccn2)CC1 ZINC000072329672 556727438 /nfs/dbraw/zinc/72/74/38/556727438.db2.gz NNDPCOZJJFRLPC-UHFFFAOYSA-N 0 0 446.471 1.202 50 0 IDAARN O=C([O-])[C@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCN(c2ccccn2)CC1 ZINC000061721725 556730034 /nfs/dbraw/zinc/73/00/34/556730034.db2.gz PKYPCWNBUAQACD-MRXNPFEDSA-N 0 0 426.473 1.704 50 0 IDAARN Cc1cnc(C)c(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3F)CC2)n1 ZINC000055131796 556735605 /nfs/dbraw/zinc/73/56/05/556735605.db2.gz RYVSREKBWDJKNX-HXUWFJFHSA-N 0 0 440.523 1.272 50 0 IDAARN CCOc1ccc([C@@]2(C)C(=O)N(CN3CCOCC3)C(=O)N2CN2CCOCC2)cc1 ZINC000019312602 556735722 /nfs/dbraw/zinc/73/57/22/556735722.db2.gz HQISKOUIEFIJGP-QFIPXVFZSA-N 0 0 432.521 1.144 50 0 IDAARN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NC[C@H](O)Cc2ccccc2)c1 ZINC000078757535 556736243 /nfs/dbraw/zinc/73/62/43/556736243.db2.gz KAVWXWNANJOATI-GOSISDBHSA-N 0 0 425.514 1.879 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCOc1cccnc1 ZINC000055168216 556736683 /nfs/dbraw/zinc/73/66/83/556736683.db2.gz OMLSFUWNUPVALQ-GOSISDBHSA-N 0 0 436.434 1.986 50 0 IDAARN O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000019335336 556738137 /nfs/dbraw/zinc/73/81/37/556738137.db2.gz SJOIUXOCHVRJAR-NRFANRHFSA-N 0 0 425.533 1.118 50 0 IDAARN C[C@H](Cn1cncn1)NC(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000019335475 556738279 /nfs/dbraw/zinc/73/82/79/556738279.db2.gz OSUDUSJQEAZDCW-MTCRFPMVSA-N 0 0 435.532 1.916 50 0 IDAARN COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000013796202 556739842 /nfs/dbraw/zinc/73/98/42/556739842.db2.gz NDTINKULRNKGTP-UHFFFAOYSA-N 0 0 442.497 1.386 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCCn3nc(-c4ccco4)ccc3=O)ccc21 ZINC000013799847 556742823 /nfs/dbraw/zinc/74/28/23/556742823.db2.gz FHUVGRUNPWCOGF-UHFFFAOYSA-N 0 0 442.497 1.781 50 0 IDAARN COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@@H]24)O3)cc(OC)c1OC ZINC000057464011 556747421 /nfs/dbraw/zinc/74/74/21/556747421.db2.gz DBJBXZBUIBMHFA-MDWNEOSMSA-N 0 0 441.440 1.934 50 0 IDAARN O=C(NCc1ccnc(Oc2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000057996128 556751625 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C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nnc(N2CCOCC2)s1)c1ccc(F)cc1 ZINC000058232054 556774276 /nfs/dbraw/zinc/77/42/76/556774276.db2.gz OFQLEGKOAJSUOU-VXGBXAGGSA-N 0 0 428.511 1.553 50 0 IDAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1nc(-c2cccnc2)no1 ZINC000058245585 556775226 /nfs/dbraw/zinc/77/52/26/556775226.db2.gz KTGOJGKJTDBBKL-OAHLLOKOSA-N 0 0 442.457 1.337 50 0 IDAARN NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 ZINC000058315785 556780443 /nfs/dbraw/zinc/78/04/43/556780443.db2.gz WBZJMAPSOSXDLW-CQSZACIVSA-N 0 0 441.431 1.832 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000058356877 556782749 /nfs/dbraw/zinc/78/27/49/556782749.db2.gz LKSDLYZEICPFEJ-QGZVFWFLSA-N 0 0 432.952 1.753 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000059369051 556799013 /nfs/dbraw/zinc/79/90/13/556799013.db2.gz BGKNGCXYZQXVHQ-UHFFFAOYSA-N 0 0 440.499 1.169 50 0 IDAARN O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 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/nfs/dbraw/zinc/15/50/76/557155076.db2.gz XMIHXRLAZYWBGG-UHFFFAOYSA-N 0 0 425.441 1.734 50 0 IDAARN CC(=O)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 ZINC000024719902 557160631 /nfs/dbraw/zinc/16/06/31/557160631.db2.gz DMNZAJJIDBOZEQ-UHFFFAOYSA-N 0 0 433.486 1.333 50 0 IDAARN O=C(CN1c2ccccc2OCCC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000024761461 557164262 /nfs/dbraw/zinc/16/42/62/557164262.db2.gz NBIIISJVPUCYMN-UHFFFAOYSA-N 0 0 445.497 1.462 50 0 IDAARN CCOc1cccc2cc(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)c(=O)oc21 ZINC000206902913 557165959 /nfs/dbraw/zinc/16/59/59/557165959.db2.gz IHZDANONVRVQNB-UHFFFAOYSA-N 0 0 447.455 1.525 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(OC)cc1 ZINC000024817030 557168741 /nfs/dbraw/zinc/16/87/41/557168741.db2.gz XXNHGPDRXHOPCX-HXUWFJFHSA-N 0 0 445.541 1.869 50 0 IDAARN CCOC(=O)C1=C(COC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)NC(=O)NC1 ZINC000024829977 557170069 /nfs/dbraw/zinc/17/00/69/557170069.db2.gz NZKKZZZHYYRDEV-UHFFFAOYSA-N 0 0 440.456 1.410 50 0 IDAARN COC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000024837523 557172672 /nfs/dbraw/zinc/17/26/72/557172672.db2.gz YSSSUSKGZUROJC-SECBINFHSA-N 0 0 425.326 1.201 50 0 IDAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000024839452 557172959 /nfs/dbraw/zinc/17/29/59/557172959.db2.gz DAWWTDIVSYPWIT-STQMWFEESA-N 0 0 442.028 1.931 50 0 IDAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000024840841 557173322 /nfs/dbraw/zinc/17/33/22/557173322.db2.gz MVFGDLKNCRKXLH-RDJZCZTQSA-N 0 0 440.518 1.019 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000000780758 557176060 /nfs/dbraw/zinc/17/60/60/557176060.db2.gz OWIGPFLEEJQHSC-UHFFFAOYSA-N 0 0 448.339 1.370 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 ZINC000024894913 557177365 /nfs/dbraw/zinc/17/73/65/557177365.db2.gz ATYDJSDOHGAFPF-NRFANRHFSA-N 0 0 445.497 1.546 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000024887684 557181175 /nfs/dbraw/zinc/18/11/75/557181175.db2.gz CHFYRPNHEBCVLP-UHFFFAOYSA-N 0 0 429.502 1.908 50 0 IDAARN COc1c2c(c(Cn3nnn(-c4ccccc4Cl)c3=O)c(OC)c1OC)C(=O)OC2 ZINC000096191880 557182542 /nfs/dbraw/zinc/18/25/42/557182542.db2.gz PBIKPVJGIHQCTE-UHFFFAOYSA-N 0 0 432.820 1.827 50 0 IDAARN O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011558853 557184217 /nfs/dbraw/zinc/18/42/17/557184217.db2.gz UMOJWAXDZRUZLY-INIZCTEOSA-N 0 0 428.470 1.548 50 0 IDAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)s1 ZINC000009328532 557187016 /nfs/dbraw/zinc/18/70/16/557187016.db2.gz ZDETXXMVLZZLGG-UHFFFAOYSA-N 0 0 447.502 1.365 50 0 IDAARN COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 ZINC000025014797 557189758 /nfs/dbraw/zinc/18/97/58/557189758.db2.gz ROIJRGYXSCFVRS-XOBRGWDASA-N 0 0 447.513 1.752 50 0 IDAARN C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000025063145 557193605 /nfs/dbraw/zinc/19/36/05/557193605.db2.gz KTIUHVUBERCLPZ-ZBFHGGJFSA-N 0 0 431.514 1.552 50 0 IDAARN C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000025063152 557193686 /nfs/dbraw/zinc/19/36/86/557193686.db2.gz KTIUHVUBERCLPZ-HOCLYGCPSA-N 0 0 431.514 1.552 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000100876609 557195397 /nfs/dbraw/zinc/19/53/97/557195397.db2.gz BCJKEZSNHYSLNO-ZZEZOPTASA-N 0 0 435.483 1.273 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000100877441 557196446 /nfs/dbraw/zinc/19/64/46/557196446.db2.gz LVOWVKWDWIFYHX-VZCXRCSSSA-N 0 0 449.510 1.663 50 0 IDAARN CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1 ZINC000025204880 557199723 /nfs/dbraw/zinc/19/97/23/557199723.db2.gz LTTFZQANWFGMBT-UHFFFAOYSA-N 0 0 440.747 1.432 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000247974535 557199873 /nfs/dbraw/zinc/19/98/73/557199873.db2.gz ZPBBBYDTFPDTKS-MORSLUCNSA-N 0 0 427.457 1.857 50 0 IDAARN COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O ZINC000025223346 557200108 /nfs/dbraw/zinc/20/01/08/557200108.db2.gz BPYYJUSFUZLVHV-OYLFLEFRSA-N 0 0 449.463 1.436 50 0 IDAARN C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O ZINC000011583935 557204873 /nfs/dbraw/zinc/20/48/73/557204873.db2.gz UTDFQUARVNHCHZ-LJQANCHMSA-N 0 0 437.424 1.774 50 0 IDAARN O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(c2cnccn2)CC1 ZINC000025343989 557205201 /nfs/dbraw/zinc/20/52/01/557205201.db2.gz UJFIWNQXXGQSDM-CQSZACIVSA-N 0 0 430.306 1.941 50 0 IDAARN COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2C ZINC000011613343 557209222 /nfs/dbraw/zinc/20/92/22/557209222.db2.gz DMGJKCKEMUNMGD-UHFFFAOYSA-N 0 0 438.488 1.403 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3cccc(OC)c3)c(=O)n3c2CCCC3)no1 ZINC000169763931 557211265 /nfs/dbraw/zinc/21/12/65/557211265.db2.gz KIDABKILACEDEF-UHFFFAOYSA-N 0 0 425.445 1.606 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)NCc3cccs3)c(=O)n3c2CCCCC3)no1 ZINC000169763972 557211396 /nfs/dbraw/zinc/21/13/96/557211396.db2.gz NINGAKYNEGEFBV-UHFFFAOYSA-N 0 0 429.502 1.727 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)n3c2CCCCC3)no1 ZINC000169763953 557211461 /nfs/dbraw/zinc/21/14/61/557211461.db2.gz APIRIYUJNGMSMG-UHFFFAOYSA-N 0 0 439.472 1.996 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3cc(F)ccc3F)c(=O)n3c2CCCC3)no1 ZINC000169764784 557211696 /nfs/dbraw/zinc/21/16/96/557211696.db2.gz BFQJCLBYQKYHQU-UHFFFAOYSA-N 0 0 431.399 1.876 50 0 IDAARN Cc1nc2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)ccc2n1-c1ccccc1 ZINC000010992730 557219024 /nfs/dbraw/zinc/21/90/24/557219024.db2.gz IZIMNCGRLTVUOX-UHFFFAOYSA-N 0 0 447.451 1.353 50 0 IDAARN Cc1csc(=O)n1CCCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000025620562 557219573 /nfs/dbraw/zinc/21/95/73/557219573.db2.gz AYPJFBZNMIJAMO-UHFFFAOYSA-N 0 0 445.513 1.810 50 0 IDAARN Cn1c2nc(N3CCCCCC3)n(C[C@@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000000801714 557220187 /nfs/dbraw/zinc/22/01/87/557220187.db2.gz YNARQTRGBVMTCM-MRXNPFEDSA-N 0 0 427.505 1.254 50 0 IDAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2ccsc21 ZINC000025720484 557223369 /nfs/dbraw/zinc/22/33/69/557223369.db2.gz RPEJUXWEBNHPJG-UHFFFAOYSA-N 0 0 448.526 1.262 50 0 IDAARN CCn1c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2[nH]c(=O)c1=O ZINC000025748775 557224186 /nfs/dbraw/zinc/22/41/86/557224186.db2.gz TUOBCIHFBPEVNM-UHFFFAOYSA-N 0 0 436.468 1.396 50 0 IDAARN Cc1ccsc1C(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000010708215 557224295 /nfs/dbraw/zinc/22/42/95/557224295.db2.gz QIRURFXNJPVAQK-UHFFFAOYSA-N 0 0 449.577 1.906 50 0 IDAARN O=C(OCN1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000010734051 557224327 /nfs/dbraw/zinc/22/43/27/557224327.db2.gz RCTHROMYSPVFAT-UHFFFAOYSA-N 0 0 430.438 1.118 50 0 IDAARN CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)[nH]1 ZINC000025762161 557224782 /nfs/dbraw/zinc/22/47/82/557224782.db2.gz LIOWMNSJEHKBBW-ZNMIVQPWSA-N 0 0 441.444 1.220 50 0 IDAARN CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000025764271 557224877 /nfs/dbraw/zinc/22/48/77/557224877.db2.gz VDZLBMGTRMKPGU-HXUWFJFHSA-N 0 0 441.509 1.528 50 0 IDAARN CC1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000025765647 557225078 /nfs/dbraw/zinc/22/50/78/557225078.db2.gz MJRLHPPWEBKEET-UHFFFAOYSA-N 0 0 434.440 1.300 50 0 IDAARN Cn1c2nc(N3CCCC3)n(CCSc3nc4ccccc4o3)c2c(=O)n(C)c1=O ZINC000000808428 557228334 /nfs/dbraw/zinc/22/83/34/557228334.db2.gz ZZJXJJSXINSOLQ-UHFFFAOYSA-N 0 0 426.502 1.967 50 0 IDAARN Cc1nn(C)c(C)c1CN(C(=O)C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)C1CC1 ZINC000014962463 557228920 /nfs/dbraw/zinc/22/89/20/557228920.db2.gz PSTQRLODHDELQZ-HSZRJFAPSA-N 0 0 435.572 1.886 50 0 IDAARN CC(=O)N1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 ZINC000011613362 557230633 /nfs/dbraw/zinc/23/06/33/557230633.db2.gz OJSXTTVSCLIOKA-MRXNPFEDSA-N 0 0 438.513 1.310 50 0 IDAARN CCS(=O)(=O)N1CCC(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)CC1 ZINC000025953411 557230972 /nfs/dbraw/zinc/23/09/72/557230972.db2.gz COTSQODORVOSGR-UHFFFAOYSA-N 0 0 440.525 1.930 50 0 IDAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000018047052 557233495 /nfs/dbraw/zinc/23/34/95/557233495.db2.gz OEFYTIQPPLIYRN-SFHVURJKSA-N 0 0 427.484 1.195 50 0 IDAARN Cc1ccc(C(=O)NCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F ZINC000026076946 557233679 /nfs/dbraw/zinc/23/36/79/557233679.db2.gz NCWVGENRQVGVRU-UHFFFAOYSA-N 0 0 449.504 1.315 50 0 IDAARN CCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000072260167 557234570 /nfs/dbraw/zinc/23/45/70/557234570.db2.gz VSCMNQVOPPLSCY-UHFFFAOYSA-N 0 0 446.511 1.683 50 0 IDAARN CCOc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1S(=O)(=O)N(C)C ZINC000018089598 557234987 /nfs/dbraw/zinc/23/49/87/557234987.db2.gz LXOGIUVQRILAAM-UHFFFAOYSA-N 0 0 426.516 1.991 50 0 IDAARN O=C(Nc1nc[nH]n1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000026262313 557238337 /nfs/dbraw/zinc/23/83/37/557238337.db2.gz HUBQNFBOHSHWJR-UHFFFAOYSA-N 0 0 430.465 1.707 50 0 IDAARN CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 ZINC000026390111 557240013 /nfs/dbraw/zinc/24/00/13/557240013.db2.gz AFUAEARLVZSANV-UHFFFAOYSA-N 0 0 431.470 1.770 50 0 IDAARN COc1ccc([C@H](O)Cn2cnc(C(=O)N3CCN(c4cccc(OC)c4)CC3)n2)cc1 ZINC000583649178 557240348 /nfs/dbraw/zinc/24/03/48/557240348.db2.gz JGQQGDIVYOKOIW-OAQYLSRUSA-N 0 0 437.500 1.991 50 0 IDAARN COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c(OC)c1 ZINC000026534053 557243825 /nfs/dbraw/zinc/24/38/25/557243825.db2.gz MIFMVXKCCWKQBM-VCHYOVAHSA-N 0 0 425.441 1.806 50 0 IDAARN COc1cc([C@H](CC(=O)NCCc2ncn(C)n2)c2oc(C)cc(=O)c2O)ccc1O ZINC000604405172 557248665 /nfs/dbraw/zinc/24/86/65/557248665.db2.gz LRVVAJBWKMXSET-AWEZNQCLSA-N 0 0 428.445 1.377 50 0 biogenic IDAARN COc1ccc(C(=O)NCc2c3c(c(OC)c4c2CCN(C)C4=O)OCO3)cc1OC ZINC000604405408 557248919 /nfs/dbraw/zinc/24/89/19/557248919.db2.gz SBSXUBBKXSVAQY-UHFFFAOYSA-N 0 0 428.441 1.999 50 0 biogenic IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cccc[n+]3[O-])CC2)cc1 ZINC000018223745 557252960 /nfs/dbraw/zinc/25/29/60/557252960.db2.gz XIDBMBRBYJPDEH-UHFFFAOYSA-N 0 0 435.527 1.148 50 0 IDAARN CC(=O)NCc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)s1 ZINC000390830504 557256927 /nfs/dbraw/zinc/25/69/27/557256927.db2.gz LMEPBMQTVVQTOM-QGZVFWFLSA-N 0 0 442.584 1.935 50 0 IDAARN Cc1cc(C)n2nc(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nc2n1 ZINC000011020047 557257871 /nfs/dbraw/zinc/25/78/71/557257871.db2.gz RKBZXYNBXWEBAH-LSDHHAIUSA-N 0 0 439.563 1.028 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000014000223 557258385 /nfs/dbraw/zinc/25/83/85/557258385.db2.gz FDYPDINVJWTTMB-QGZVFWFLSA-N 0 0 441.532 1.716 50 0 IDAARN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C ZINC000101170398 557259998 /nfs/dbraw/zinc/25/99/98/557259998.db2.gz SNSYWTDXYZISJL-UFYCRDLUSA-N 0 0 437.445 1.600 50 0 IDAARN CNC(=S)N(CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100578597 557265427 /nfs/dbraw/zinc/26/54/27/557265427.db2.gz UZBOZISHHGZQFM-QGZVFWFLSA-N 0 0 446.554 1.015 50 0 IDAARN CN(c1ccc(OCC(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1cccs1 ZINC000027772865 557273597 /nfs/dbraw/zinc/27/35/97/557273597.db2.gz CJJYUFXWMRIABM-UHFFFAOYSA-N 0 0 439.559 1.400 50 0 IDAARN C[C@H]1c2cc(NC(=O)C(=O)NC[C@@H](O)c3ccc4c(c3)CCO4)cc3c2N(CCC3)C1=O ZINC000101326197 557273653 /nfs/dbraw/zinc/27/36/53/557273653.db2.gz DUFCGTNFYFJYME-ORAYPTAESA-N 0 0 435.480 1.806 50 0 IDAARN CCOC(=O)[C@@H](N)CS[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000100749716 557275712 /nfs/dbraw/zinc/27/57/12/557275712.db2.gz NXQCKDNMDMGVKK-NWDGAFQWSA-N 0 0 448.282 1.547 50 0 IDAARN COCCNC(=O)Cn1nc2c(c1NC(=O)/C=C\c1ccc3c(c1)OCO3)CSC2 ZINC000101367320 557277750 /nfs/dbraw/zinc/27/77/50/557277750.db2.gz RQGSONBWBVBMAS-HYXAFXHYSA-N 0 0 430.486 1.773 50 0 IDAARN COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000101345244 557279537 /nfs/dbraw/zinc/27/95/37/557279537.db2.gz ATDACDBZCLJZGM-SXZOAGKDSA-N 0 0 439.559 1.592 50 0 IDAARN CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000101348429 557279802 /nfs/dbraw/zinc/27/98/02/557279802.db2.gz FCJKFGSBXLPUQK-LJQANCHMSA-N 0 0 427.482 1.929 50 0 IDAARN CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000101348425 557279874 /nfs/dbraw/zinc/27/98/74/557279874.db2.gz FCJKFGSBXLPUQK-IBGZPJMESA-N 0 0 427.482 1.929 50 0 IDAARN CCOC(=O)Cc1cc(=O)n2nc(NCc3cc(Br)ccc3OC)[nH]c2n1 ZINC000101484051 557288021 /nfs/dbraw/zinc/28/80/21/557288021.db2.gz WNANZZSWIMMBDH-UHFFFAOYSA-N 0 0 436.266 1.906 50 0 IDAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1 ZINC000014058595 557293473 /nfs/dbraw/zinc/29/34/73/557293473.db2.gz AFDAOCVIJFYDAW-UHFFFAOYSA-N 0 0 425.513 1.665 50 0 IDAARN Cc1cccn2cc(-c3ccc(NC(=O)C(=O)N[C@@H]4CC(=O)N(C(C)C)C4=O)cc3)nc12 ZINC000101665960 557293899 /nfs/dbraw/zinc/29/38/99/557293899.db2.gz VPQPPPXVRCITPD-QGZVFWFLSA-N 0 0 433.468 1.900 50 0 IDAARN Cc1cc(C)[nH+]c([N-][C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccco2)n1 ZINC000101682070 557295113 /nfs/dbraw/zinc/29/51/13/557295113.db2.gz IPLRTQLUYBDNRR-KRWDZBQOSA-N 0 0 436.350 1.407 50 0 IDAARN COC(=O)C=C(Nc1cccc(NC(=CC(=O)OC)C(=O)OC)c1Cl)C(=O)OC ZINC000101921788 557296660 /nfs/dbraw/zinc/29/66/60/557296660.db2.gz MNMSLUICAJTJEO-QHKWOANTSA-N 0 0 426.809 1.624 50 0 IDAARN CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 ZINC000014094710 557302773 /nfs/dbraw/zinc/30/27/73/557302773.db2.gz POKIPGICPSLWML-FQEVSTJZSA-N 0 0 429.454 1.258 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000084466177 557303515 /nfs/dbraw/zinc/30/35/15/557303515.db2.gz LZBMBVHWTTYJOZ-QZTJIDSGSA-N 0 0 433.530 1.085 50 0 IDAARN O=C(CN1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000084519420 557309461 /nfs/dbraw/zinc/30/94/61/557309461.db2.gz VSGBUCMQTNXSTR-QHCPKHFHSA-N 0 0 440.519 1.982 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C ZINC000102129493 557313146 /nfs/dbraw/zinc/31/31/46/557313146.db2.gz PEIJFJBVRAJPFY-KKUMJFAQSA-N 0 0 430.457 1.874 50 0 IDAARN COc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1OC ZINC000102128874 557313180 /nfs/dbraw/zinc/31/31/80/557313180.db2.gz ISJPCFBAGOXDRP-IYBDPMFKSA-N 0 0 430.457 1.205 50 0 IDAARN O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(=O)NC1CC1 ZINC000102129985 557313422 /nfs/dbraw/zinc/31/34/22/557313422.db2.gz HYBYIMHLJHYVNK-HOTGVXAUSA-N 0 0 439.468 1.402 50 0 IDAARN CCOc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000032932752 557318548 /nfs/dbraw/zinc/31/85/48/557318548.db2.gz AALPLSAQNKQSLD-UHFFFAOYSA-N 0 0 432.502 1.256 50 0 IDAARN O=C(CN1CCS(=O)(=O)CC1)OCc1nc(-c2cccc(Br)c2)no1 ZINC000032928521 557318577 /nfs/dbraw/zinc/31/85/77/557318577.db2.gz TUNUVFUSFLZAEU-UHFFFAOYSA-N 0 0 430.280 1.273 50 0 IDAARN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 ZINC000032938318 557318918 /nfs/dbraw/zinc/31/89/18/557318918.db2.gz GFRVNRGCXWXBMO-SFHVURJKSA-N 0 0 436.472 1.876 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)c1 ZINC000102472218 557324352 /nfs/dbraw/zinc/32/43/52/557324352.db2.gz QGARGLXBBJAAID-QZTJIDSGSA-N 0 0 445.541 1.088 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccccn1 ZINC000033129148 557324980 /nfs/dbraw/zinc/32/49/80/557324980.db2.gz HXWFQNSHKAETBX-HNNXBMFYSA-N 0 0 443.529 1.965 50 0 IDAARN Cc1c(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2c(n1C)n(C)c(=O)n(C)c2=O ZINC000033129322 557325024 /nfs/dbraw/zinc/32/50/24/557325024.db2.gz IIAPONVNHSYVHL-UHFFFAOYSA-N 0 0 443.935 1.429 50 0 IDAARN CCN(CC)C(=O)CN1CCN(c2ccc(NS(=O)(=O)CC)c(C(=O)[O-])c2)CC1 ZINC000033259913 557329659 /nfs/dbraw/zinc/32/96/59/557329659.db2.gz VBUNFJQKHQOLMW-UHFFFAOYSA-N 0 0 426.539 1.137 50 0 IDAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000023330739 557342912 /nfs/dbraw/zinc/34/29/12/557342912.db2.gz IPRDTGZLPNUSBB-UHFFFAOYSA-N 0 0 438.488 1.997 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000102667409 557362614 /nfs/dbraw/zinc/36/26/14/557362614.db2.gz NJPNUCMJQFVLFA-KDURUIRLSA-N 0 0 445.541 1.297 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000102704763 557366091 /nfs/dbraw/zinc/36/60/91/557366091.db2.gz NJZJPHWZCWDYHS-IRXDYDNUSA-N 0 0 445.447 1.107 50 0 IDAARN O=c1[nH]c2cc(S(=O)(=O)N3CCC[C@@H](Cc4nc(-c5cnccn5)no4)C3)ccc2o1 ZINC000220889455 557369452 /nfs/dbraw/zinc/36/94/52/557369452.db2.gz RAXCUBSSDMZYFG-LBPRGKRZSA-N 0 0 442.457 1.605 50 0 IDAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(Cc3ccncc3)CC1)C2=O ZINC000023653568 557370426 /nfs/dbraw/zinc/37/04/26/557370426.db2.gz NOHZOGBJXRYYRJ-GAJHUEQPSA-N 0 0 427.549 1.863 50 0 IDAARN Cc1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1S(=O)(=O)N1CCOCC1 ZINC000023680890 557371534 /nfs/dbraw/zinc/37/15/34/557371534.db2.gz NOANSSPZFAJTLF-KXBFYZLASA-N 0 0 439.559 1.408 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000023993941 557390088 /nfs/dbraw/zinc/39/00/88/557390088.db2.gz AWQGQJZTIIENEE-UHFFFAOYSA-N 0 0 433.530 1.440 50 0 IDAARN COCCN1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)OC(C)(C)C)CC3)CC1=O ZINC000408516571 557411873 /nfs/dbraw/zinc/41/18/73/557411873.db2.gz GTDZWXHQHNRHGH-STQMWFEESA-N 0 0 438.550 1.959 50 0 IDAARN COc1cccc(/C=C2/SC(=O)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)c1 ZINC000033585690 557415026 /nfs/dbraw/zinc/41/50/26/557415026.db2.gz XUTAXMXYCRHFEI-LUYJPIOASA-N 0 0 438.527 1.767 50 0 IDAARN CCCCn1c(N)c(N(CCC)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(=O)[nH]c1=O ZINC000103019965 557416383 /nfs/dbraw/zinc/41/63/83/557416383.db2.gz FHDBCSNTBQHLHI-GJZGRUSLSA-N 0 0 447.536 1.227 50 0 IDAARN COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000247902761 557420590 /nfs/dbraw/zinc/42/05/90/557420590.db2.gz ZPMNAXXVSPZAGJ-IMJJTQAJSA-N 0 0 444.937 1.245 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N[C@@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000223235570 557449485 /nfs/dbraw/zinc/44/94/85/557449485.db2.gz ILRDIIGDCWALPJ-WMLDXEAASA-N 0 0 436.472 1.816 50 0 IDAARN CC(=O)N[C@H]1[C@H](n2nc(-c3ccc(C)cc3)n(C(C)C)c2=S)O[C@H](CO)[C@@H](O)[C@H]1O ZINC000104195386 557452855 /nfs/dbraw/zinc/45/28/55/557452855.db2.gz VNGSVSLXZFOYFJ-ZQOJQMTGSA-N 0 0 436.534 1.087 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)COc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000018334489 557462264 /nfs/dbraw/zinc/46/22/64/557462264.db2.gz WFDTVPUPPAMTSH-UHFFFAOYSA-N 0 0 431.514 1.099 50 0 IDAARN O=C(CNC(=O)c1cccc(F)c1)OCCCOC(=O)CNC(=O)c1cccc(F)c1 ZINC000018347568 557495417 /nfs/dbraw/zinc/49/54/17/557495417.db2.gz VMZZDAAVYJTXDG-UHFFFAOYSA-N 0 0 434.395 1.601 50 0 IDAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C ZINC000018378288 557500409 /nfs/dbraw/zinc/50/04/09/557500409.db2.gz HWOVHKYIBDYZBV-CYBMUJFWSA-N 0 0 432.454 1.793 50 0 IDAARN O=C(CN1CCC[C@@H]1c1nnc2ccccn21)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000105553533 557507426 /nfs/dbraw/zinc/50/74/26/557507426.db2.gz FFORUPXOIIASJN-RCCFBDPRSA-N 0 0 447.561 1.061 50 0 IDAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000105631498 557509745 /nfs/dbraw/zinc/50/97/45/557509745.db2.gz JNWYNKWSJAFMHP-HXUWFJFHSA-N 0 0 427.526 1.363 50 0 IDAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC000019892038 557509893 /nfs/dbraw/zinc/50/98/93/557509893.db2.gz XVHHESQLJYNVDF-MRXNPFEDSA-N 0 0 427.457 1.277 50 0 IDAARN O=C(c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1)N1CCN(c2ccccc2)CC1 ZINC000012030345 557523701 /nfs/dbraw/zinc/52/37/01/557523701.db2.gz XTXPENXBNUFDDM-FQEVSTJZSA-N 0 0 448.566 1.610 50 0 IDAARN COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000012030633 557523951 /nfs/dbraw/zinc/52/39/51/557523951.db2.gz FBSMYGBPMOGQIH-MRXNPFEDSA-N 0 0 439.511 1.917 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000012030686 557524011 /nfs/dbraw/zinc/52/40/11/557524011.db2.gz TYADTIDXRDSWDA-SFHVURJKSA-N 0 0 436.511 1.858 50 0 IDAARN O=C(c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)N1CCN(c2ccccn2)CC1 ZINC000012029575 557524943 /nfs/dbraw/zinc/52/49/43/557524943.db2.gz VJMBVAWVUCOVDG-GOSISDBHSA-N 0 0 449.554 1.005 50 0 IDAARN NC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccccc1 ZINC000012052038 557525597 /nfs/dbraw/zinc/52/55/97/557525597.db2.gz ZKMQGWQUOHYFIH-OAQYLSRUSA-N 0 0 441.553 1.919 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccc2)c(C)c1 ZINC000012080649 557527238 /nfs/dbraw/zinc/52/72/38/557527238.db2.gz LZZUGYYLICXGTF-IBGZPJMESA-N 0 0 445.541 1.391 50 0 IDAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)c(OC)c1OC ZINC000106549975 557530192 /nfs/dbraw/zinc/53/01/92/557530192.db2.gz XSGQSKZQZXDUJQ-QAETUUGQSA-N 0 0 426.425 1.616 50 0 IDAARN CNC(=O)c1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000107166036 557534820 /nfs/dbraw/zinc/53/48/20/557534820.db2.gz WOBLPFFOUXIMJB-BFYDXBDKSA-N 0 0 435.461 1.524 50 0 IDAARN CCO[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)[C@]12CCCO2 ZINC000108499919 557543098 /nfs/dbraw/zinc/54/30/98/557543098.db2.gz AFSPWTBZQCALIL-XFIJJGBISA-N 0 0 438.546 1.600 50 0 IDAARN C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000109023763 557545389 /nfs/dbraw/zinc/54/53/89/557545389.db2.gz DONFSMQVLUPKAD-OWCLPIDISA-N 0 0 428.530 1.124 50 0 IDAARN CC(C)NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CCCC2)c1=O ZINC000045898937 557546240 /nfs/dbraw/zinc/54/62/40/557546240.db2.gz DHOLNYGRSKTFIU-UHFFFAOYSA-N 0 0 428.533 1.917 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC(=O)N2CCCCCC2)C1=O ZINC000045913509 557547279 /nfs/dbraw/zinc/54/72/79/557547279.db2.gz FXKBYZPVCQCFCC-UHFFFAOYSA-N 0 0 449.573 1.734 50 0 IDAARN Cn1c(=O)c(-c2noc(C(=O)NC3CCCCCC3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946085 557550836 /nfs/dbraw/zinc/55/08/36/557550836.db2.gz 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O=C(NCc1ccncc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945245 563142773 /nfs/dbraw/zinc/14/27/73/563142773.db2.gz VUICCJGSADOGDO-NRFANRHFSA-N 0 0 433.512 1.971 50 0 IDAARN O=C(NCc1cccnc1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945243 563142792 /nfs/dbraw/zinc/14/27/92/563142792.db2.gz UTMMVHQVIFIJGY-NRFANRHFSA-N 0 0 433.512 1.971 50 0 IDAARN O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC[C@@H]1CCCO1 ZINC000056945815 563142935 /nfs/dbraw/zinc/14/29/35/563142935.db2.gz LJDJQLAOZDDMDU-FXAWDEMLSA-N 0 0 444.507 1.693 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(c3ccc(C4CC4)nn3)CC2)cc1 ZINC000585150022 568627239 /nfs/dbraw/zinc/62/72/39/568627239.db2.gz ZBAFSLLUSVLLCI-UHFFFAOYSA-N 0 0 429.546 1.577 50 0 IDAARN Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 ZINC000015032797 568633111 /nfs/dbraw/zinc/63/31/11/568633111.db2.gz GILZJIPWODULFU-MRXNPFEDSA-N 0 0 446.577 1.705 50 0 IDAARN C[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)OCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000019076940 568636920 /nfs/dbraw/zinc/63/69/20/568636920.db2.gz OTLGGJKPIWALSS-RWMBFGLXSA-N 0 0 440.547 1.596 50 0 IDAARN Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000019077935 568638029 /nfs/dbraw/zinc/63/80/29/568638029.db2.gz VQQRQJLWIQUGDF-UHFFFAOYSA-N 0 0 432.527 1.912 50 0 IDAARN CCOC(=O)COc1cccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000025275346 568651017 /nfs/dbraw/zinc/65/10/17/568651017.db2.gz BCUKMQFENKKKKL-UHFFFAOYSA-N 0 0 448.497 1.902 50 0 IDAARN COC(=O)CNC(=O)c1ccc(NC(=O)COc2ccc(N3CCCC3=O)cc2)cc1 ZINC000025321425 568653542 /nfs/dbraw/zinc/65/35/42/568653542.db2.gz XWIMXDNAUFNREI-UHFFFAOYSA-N 0 0 425.441 1.734 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000025607040 568737257 /nfs/dbraw/zinc/73/72/57/568737257.db2.gz UYSVRIMMTTWMRC-UHFFFAOYSA-N 0 0 446.529 1.394 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2cccc3nsnc32)C1=O ZINC000019107490 568739837 /nfs/dbraw/zinc/73/98/37/568739837.db2.gz PAOHXNNPYDFNSR-FQEVSTJZSA-N 0 0 439.453 1.868 50 0 IDAARN O=C(NC[C@@H]1OCCc2ccccc21)c1coc(CN2CCN(c3ncccn3)CC2)n1 ZINC000019113621 568741841 /nfs/dbraw/zinc/74/18/41/568741841.db2.gz YSWAMVQRYDJLPV-FQEVSTJZSA-N 0 0 434.500 1.831 50 0 IDAARN CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000003445657 568749687 /nfs/dbraw/zinc/74/96/87/568749687.db2.gz STSXGMZEOCPQKU-UHFFFAOYSA-N 0 0 426.491 1.376 50 0 IDAARN COc1ccc(-c2cc(=NC(=O)c3snnc3C)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158026 568750885 /nfs/dbraw/zinc/75/08/85/568750885.db2.gz INBZAWLVFMUSFY-ZDUSSCGKSA-N 0 0 433.515 1.752 50 0 IDAARN COc1ccc(-c2cc(=NC(=O)c3snnc3C)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 ZINC000334158025 568750894 /nfs/dbraw/zinc/75/08/94/568750894.db2.gz INBZAWLVFMUSFY-CYBMUJFWSA-N 0 0 433.515 1.752 50 0 IDAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccncc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000003622960 568751754 /nfs/dbraw/zinc/75/17/54/568751754.db2.gz LXZWANOZNMYUCL-LJQANCHMSA-N 0 0 445.357 1.369 50 0 IDAARN CSc1nnnn1-c1cccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 ZINC000031916513 568759697 /nfs/dbraw/zinc/75/96/97/568759697.db2.gz CZRYNDMUGPLKFI-UHFFFAOYSA-N 0 0 437.493 1.072 50 0 IDAARN COc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC ZINC000015391580 568761762 /nfs/dbraw/zinc/76/17/62/568761762.db2.gz XNODWNVSSDZWOO-ZDUSSCGKSA-N 0 0 434.470 1.559 50 0 IDAARN COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc(OC)c1OC ZINC000001251567 568775107 /nfs/dbraw/zinc/77/51/07/568775107.db2.gz ZQDVHYMDYNLOLH-PDGQHHTCSA-N 0 0 437.477 1.676 50 0 IDAARN Cc1cn2nnc(C(=O)N3CCC(C(=O)NCc4ccc(F)cc4F)CC3)c2c(=O)[nH]1 ZINC000263615283 568776015 /nfs/dbraw/zinc/77/60/15/568776015.db2.gz BPBKHCQXOCHPAH-UHFFFAOYSA-N 0 0 430.415 1.585 50 0 IDAARN COc1ccc([C@H]2Cn3nnc(CN4CCC(NC(=O)c5cnccn5)CC4)c3CO2)cc1 ZINC000263619296 568778024 /nfs/dbraw/zinc/77/80/24/568778024.db2.gz YAAPKVCSDYXDMR-JOCHJYFZSA-N 0 0 449.515 1.743 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032100826 568780586 /nfs/dbraw/zinc/78/05/86/568780586.db2.gz NEWLOATWEYPJGB-HNNXBMFYSA-N 0 0 433.527 1.136 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1ccc2oc(=O)ccc2c1 ZINC000032106167 568781265 /nfs/dbraw/zinc/78/12/65/568781265.db2.gz MJBXQNOFBUMUNY-QGZVFWFLSA-N 0 0 441.465 1.311 50 0 IDAARN CN(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000223156978 568781920 /nfs/dbraw/zinc/78/19/20/568781920.db2.gz QLZGDXAWTRKJFP-WOJBJXKFSA-N 0 0 431.514 1.615 50 0 IDAARN CCCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ccc1=O ZINC000015480518 568787882 /nfs/dbraw/zinc/78/78/82/568787882.db2.gz JIUBNMVUQQERIV-UHFFFAOYSA-N 0 0 430.530 1.289 50 0 IDAARN O=C(CCNC(=O)c1ccsc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000025905451 568791154 /nfs/dbraw/zinc/79/11/54/568791154.db2.gz ANYCJTPHKBDMHF-UHFFFAOYSA-N 0 0 427.573 1.899 50 0 IDAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)cs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016652513 568791600 /nfs/dbraw/zinc/79/16/00/568791600.db2.gz VNDCTJONHRJOTH-UHFFFAOYSA-N 0 0 439.534 1.871 50 0 IDAARN COC(=O)c1ccc2c(c1)nc(CN1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C)[nH]c2=O ZINC000084240616 568796532 /nfs/dbraw/zinc/79/65/32/568796532.db2.gz BGRXTCLYAWSEMX-OAHLLOKOSA-N 0 0 445.520 1.350 50 0 IDAARN Cn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000084334574 568797106 /nfs/dbraw/zinc/79/71/06/568797106.db2.gz MZBHWKWCOUPLMM-UHFFFAOYSA-N 0 0 433.515 1.823 50 0 IDAARN O=S(=O)(c1ccc2nnn(OCc3cc(-c4ccccc4)on3)c2c1)N1CCOCC1 ZINC000015553182 568797926 /nfs/dbraw/zinc/79/79/26/568797926.db2.gz TUWGWGONYAXVPA-UHFFFAOYSA-N 0 0 441.469 1.736 50 0 IDAARN Cn1c2ccccc2n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=O ZINC000012780404 568800745 /nfs/dbraw/zinc/80/07/45/568800745.db2.gz DFGNTCPLJWYHPC-UHFFFAOYSA-N 0 0 446.504 1.402 50 0 IDAARN CCCC(=O)NC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000084739888 568800860 /nfs/dbraw/zinc/80/08/60/568800860.db2.gz SZBPPQFLYGFQMP-OAHLLOKOSA-N 0 0 441.550 1.137 50 0 IDAARN COC(=O)N1CCc2nn(CC(=O)c3ccc(NC(C)=O)c(SC)c3)c(=O)cc2C1 ZINC000084796827 568801486 /nfs/dbraw/zinc/80/14/86/568801486.db2.gz LNUWFIFHHCZRSE-UHFFFAOYSA-N 0 0 430.486 1.931 50 0 IDAARN Cn1c(CN2CCN(S(C)(=O)=O)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000015669110 568801777 /nfs/dbraw/zinc/80/17/77/568801777.db2.gz NFHBUFSOYUGFQA-UHFFFAOYSA-N 0 0 427.530 1.903 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(OC)c1 ZINC000015678569 568805211 /nfs/dbraw/zinc/80/52/11/568805211.db2.gz UCPXJLQVXZWEJA-UHFFFAOYSA-N 0 0 431.470 1.805 50 0 IDAARN C[C@@H](NC(=O)CCc1nnc2ccc(N3CCOCC3)nn21)c1ccc2c(c1)OCCO2 ZINC000015678946 568805406 /nfs/dbraw/zinc/80/54/06/568805406.db2.gz LEWIGSOLBKLBJN-OAHLLOKOSA-N 0 0 438.488 1.542 50 0 IDAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1C ZINC000015680251 568806123 /nfs/dbraw/zinc/80/61/23/568806123.db2.gz XSSKIDZRBYXWFV-JOCHJYFZSA-N 0 0 429.542 1.987 50 0 IDAARN CCc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000015680245 568806135 /nfs/dbraw/zinc/80/61/35/568806135.db2.gz STVOSMJRYUSNRS-JOCHJYFZSA-N 0 0 429.542 1.932 50 0 IDAARN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2S1 ZINC000015730885 568814299 /nfs/dbraw/zinc/81/42/99/568814299.db2.gz KTVBILAMIOLFTR-JTQLQIEISA-N 0 0 427.529 1.958 50 0 IDAARN O=C(c1cnc2sc(N3CCCC3)nn2c1=O)N1CCN(c2ccccc2F)CC1 ZINC000015732773 568815470 /nfs/dbraw/zinc/81/54/70/568815470.db2.gz LDYMKNKOZQCKAC-UHFFFAOYSA-N 0 0 428.493 1.853 50 0 IDAARN Cn1c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2n(C)c(=O)c1=O ZINC000015733661 568815925 /nfs/dbraw/zinc/81/59/25/568815925.db2.gz MPGYTGZXRALLFP-UHFFFAOYSA-N 0 0 428.470 1.165 50 0 IDAARN COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 ZINC000001450171 568818040 /nfs/dbraw/zinc/81/80/40/568818040.db2.gz RQOYJZBOODBTCS-UNOMPAQXSA-N 0 0 437.477 1.676 50 0 IDAARN Cc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NC[C@@H]2CCCO2)C3)c1 ZINC000085413623 568818767 /nfs/dbraw/zinc/81/87/67/568818767.db2.gz UYGZORQYEPDMEW-LPHOPBHVSA-N 0 0 426.517 1.861 50 0 IDAARN Cc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NC[C@@H]2CCCO2)C3)c1 ZINC000085413619 568818883 /nfs/dbraw/zinc/81/88/83/568818883.db2.gz UYGZORQYEPDMEW-QFBILLFUSA-N 0 0 426.517 1.861 50 0 IDAARN CCOc1ccc(OCC)c(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000015767588 568821958 /nfs/dbraw/zinc/82/19/58/568821958.db2.gz NLYYVMKCPFYXCO-UHFFFAOYSA-N 0 0 438.506 1.340 50 0 IDAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCN4CCOCC4)C3)ccc21 ZINC000015784455 568827467 /nfs/dbraw/zinc/82/74/67/568827467.db2.gz MLQWEDYNAAJFOG-SFHVURJKSA-N 0 0 434.562 1.027 50 0 IDAARN COc1ccccc1CNC(=O)CCCn1nnc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000085648376 568830625 /nfs/dbraw/zinc/83/06/25/568830625.db2.gz SXSZJKKEDVRTHC-UHFFFAOYSA-N 0 0 431.518 1.787 50 0 IDAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)NC3CCCCC3)ccc21)N1CCOCC1 ZINC000085651711 568831439 /nfs/dbraw/zinc/83/14/39/568831439.db2.gz XSCNXJDSESSNLB-UHFFFAOYSA-N 0 0 439.559 1.533 50 0 IDAARN COCCNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC ZINC000085652135 568832187 /nfs/dbraw/zinc/83/21/87/568832187.db2.gz YVGREOSTMSIPKO-UHFFFAOYSA-N 0 0 434.474 1.438 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000085654222 568832336 /nfs/dbraw/zinc/83/23/36/568832336.db2.gz CSBDPDZSOVPWLE-UHFFFAOYSA-N 0 0 433.465 1.487 50 0 IDAARN Cn1c(C(=O)NCCCN2CCOCC2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015787015 568836485 /nfs/dbraw/zinc/83/64/85/568836485.db2.gz JGIHJONMIMWPAX-UHFFFAOYSA-N 0 0 448.589 1.805 50 0 IDAARN COC(=O)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccco4)c(=O)n32)cc1 ZINC000001467046 568836599 /nfs/dbraw/zinc/83/65/99/568836599.db2.gz UMPBOSVMJAMGIS-MUMAZLPKSA-N 0 0 438.461 1.788 50 0 IDAARN COc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(Br)cc1)c(=O)n2C ZINC000015880306 568853769 /nfs/dbraw/zinc/85/37/69/568853769.db2.gz QICNKVJHFOFFRX-UHFFFAOYSA-N 0 0 433.262 1.813 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1C ZINC000015882341 568856254 /nfs/dbraw/zinc/85/62/54/568856254.db2.gz PWTURBXXDMUUGC-UHFFFAOYSA-N 0 0 431.562 1.749 50 0 IDAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1 ZINC000015882005 568856285 /nfs/dbraw/zinc/85/62/85/568856285.db2.gz SXGPOUHRURNDFU-JSGCOSHPSA-N 0 0 428.557 1.736 50 0 IDAARN Cc1ccc([C@@H](CN2CCOCC2)NCc2nc3ccccc3c(=O)n2CC(N)=O)cc1 ZINC000049592408 568856539 /nfs/dbraw/zinc/85/65/39/568856539.db2.gz PDYIOYVYHGODSI-OAQYLSRUSA-N 0 0 435.528 1.353 50 0 IDAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000015883728 568857891 /nfs/dbraw/zinc/85/78/91/568857891.db2.gz SWPCZJIPNBQSTI-ZIAGYGMSSA-N 0 0 434.562 1.559 50 0 IDAARN O=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000015884101 568857926 /nfs/dbraw/zinc/85/79/26/568857926.db2.gz HEACMDCRWIPDKL-UHFFFAOYSA-N 0 0 439.476 1.861 50 0 IDAARN COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CSc2nncn2C)cc1=O ZINC000015883855 568858105 /nfs/dbraw/zinc/85/81/05/568858105.db2.gz ZDUKXQSYLPADHG-UHFFFAOYSA-N 0 0 443.485 1.323 50 0 IDAARN COc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)c(CSc2nnnn2C)cc1=O ZINC000015883875 568858134 /nfs/dbraw/zinc/85/81/34/568858134.db2.gz OVGOXOWVUHMBTD-UHFFFAOYSA-N 0 0 428.474 1.514 50 0 IDAARN Cc1ccc2c(c1)[C@@]1([NH2+][C@H](CCC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959801 568860483 /nfs/dbraw/zinc/86/04/83/568860483.db2.gz ZELGVVJNMXXSOY-ZHBILRMLSA-N 0 0 446.507 1.224 50 0 biogenic IDAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCN(c4ccc5nncn5n4)C3)cc2)co1 ZINC000575414468 568860833 /nfs/dbraw/zinc/86/08/33/568860833.db2.gz PWRYPGCVKFWSMY-HNNXBMFYSA-N 0 0 425.474 1.645 50 0 IDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CO)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968284 568861239 /nfs/dbraw/zinc/86/12/39/568861239.db2.gz LPHFXVHCLFLXOK-ZHSNQQFMSA-N 0 0 439.899 1.604 50 0 biogenic IDAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012948392 568871611 /nfs/dbraw/zinc/87/16/11/568871611.db2.gz QCGZOQRXNKAWGE-HNNXBMFYSA-N 0 0 446.529 1.417 50 0 IDAARN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012950034 568872028 /nfs/dbraw/zinc/87/20/28/568872028.db2.gz ZNAQSKINMUUMQF-SNVBAGLBSA-N 0 0 431.975 1.302 50 0 IDAARN C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O ZINC000023316127 568877818 /nfs/dbraw/zinc/87/78/18/568877818.db2.gz IUFPWMTVGCNBDB-DOTOQJQBSA-N 0 0 435.546 1.108 50 0 IDAARN CN1c2ccc(F)cc2N(CCNS(=O)(=O)Cc2noc3ccccc32)S1(=O)=O ZINC000575611657 568879210 /nfs/dbraw/zinc/87/92/10/568879210.db2.gz HONYVCXFJVPDSS-UHFFFAOYSA-N 0 0 440.478 1.588 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@](O)(c1ccccc1)C1CCOCC1 ZINC000575613542 568879812 /nfs/dbraw/zinc/87/98/12/568879812.db2.gz STGPTHIFSXSWMG-HSZRJFAPSA-N 0 0 426.469 1.462 50 0 IDAARN Cn1c2nc(CN3CCC(Cc4ccccc4)CC3)n(CCCO)c2c(=O)n(C)c1=O ZINC000006211266 568880298 /nfs/dbraw/zinc/88/02/98/568880298.db2.gz MROSDJBXPDFINO-UHFFFAOYSA-N 0 0 425.533 1.271 50 0 IDAARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000035344036 568880517 /nfs/dbraw/zinc/88/05/17/568880517.db2.gz IZUXLYMGBULJET-UHFFFAOYSA-N 0 0 427.553 1.221 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 ZINC000575615762 568881317 /nfs/dbraw/zinc/88/13/17/568881317.db2.gz JNDLGGBGFFBVTK-UHFFFAOYSA-N 0 0 432.424 1.829 50 0 IDAARN Cn1c(=O)n(C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)nc1C(F)(F)F ZINC000575615671 568881336 /nfs/dbraw/zinc/88/13/36/568881336.db2.gz IXAVDWGYYVATOA-UHFFFAOYSA-N 0 0 448.452 1.631 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)cc1 ZINC000575617021 568881680 /nfs/dbraw/zinc/88/16/80/568881680.db2.gz MKTARJDCEORJJV-UHFFFAOYSA-N 0 0 445.505 1.558 50 0 IDAARN O=C(Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)NCc1ccco1 ZINC000009517807 568883579 /nfs/dbraw/zinc/88/35/79/568883579.db2.gz FFDHCSGMAUYTCQ-UHFFFAOYSA-N 0 0 434.334 1.785 50 0 IDAARN Cc1cc(C)n2nc(CCCOC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nc2n1 ZINC000225355493 568885194 /nfs/dbraw/zinc/88/51/94/568885194.db2.gz WARUIXUUULAOHA-MPGHIAIKSA-N 0 0 432.550 1.943 50 0 IDAARN C[C@]1(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CCS(=O)(=O)C1 ZINC000229821770 568887086 /nfs/dbraw/zinc/88/70/86/568887086.db2.gz RAOWCTXLLFDFEP-ACJLOTCBSA-N 0 0 428.942 1.079 50 0 IDAARN Cn1nc(N2CCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2)ccc1=O ZINC000090592535 568888729 /nfs/dbraw/zinc/88/87/29/568888729.db2.gz VYNRWWLPUABCGC-UHFFFAOYSA-N 0 0 447.542 1.649 50 0 IDAARN Cc1ncn(-c2cc(NCCNC(=O)COc3cc(-n4cccn4)nc(C)n3)ncn2)c1C ZINC000090607710 568890069 /nfs/dbraw/zinc/89/00/69/568890069.db2.gz ZZUUTIMQGWCNKN-UHFFFAOYSA-N 0 0 448.491 1.170 50 0 IDAARN Cc1cnc2n(c1=O)C[C@@H](C(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)CS2 ZINC000090609579 568891375 /nfs/dbraw/zinc/89/13/75/568891375.db2.gz BSPFGOFQAQOPEQ-SNVBAGLBSA-N 0 0 436.540 1.926 50 0 IDAARN O=C([C@@H]1CSc2nccc(=O)n2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000090609924 568891592 /nfs/dbraw/zinc/89/15/92/568891592.db2.gz ILPJILDLGCVWIH-LBPRGKRZSA-N 0 0 425.436 1.728 50 0 IDAARN COc1ccc(C(=O)CSc2nnc(CCc3c(C)[nH]c(=O)n(C)c3=O)o2)cc1OC ZINC000035597133 568893282 /nfs/dbraw/zinc/89/32/82/568893282.db2.gz ZIBYMOWNHVXZMN-UHFFFAOYSA-N 0 0 446.485 1.542 50 0 IDAARN CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013015508 568901544 /nfs/dbraw/zinc/90/15/44/568901544.db2.gz WSGGYWBLMCJRIY-KRWDZBQOSA-N 0 0 434.539 1.697 50 0 IDAARN CCC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000013016169 568901580 /nfs/dbraw/zinc/90/15/80/568901580.db2.gz BWLDIPFIUUVVCU-LBPRGKRZSA-N 0 0 432.340 1.197 50 0 IDAARN CC(C)C(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000013016164 568901640 /nfs/dbraw/zinc/90/16/40/568901640.db2.gz NQARLXOSVLDHIN-ZDUSSCGKSA-N 0 0 446.367 1.443 50 0 IDAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 ZINC000013017646 568901936 /nfs/dbraw/zinc/90/19/36/568901936.db2.gz ZPLRNFORBTZCJX-UHFFFAOYSA-N 0 0 447.900 1.754 50 0 IDAARN COC(=O)c1cn(-c2ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc2)cc2c(=O)[nH]nc1-2 ZINC000253415059 568903338 /nfs/dbraw/zinc/90/33/38/568903338.db2.gz ZMAYEFMOHJGEMP-QGZVFWFLSA-N 0 0 425.319 1.375 50 0 IDAARN COc1cc([C@@H](CC(=O)NCC(=O)N2CCCC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730817 568904143 /nfs/dbraw/zinc/90/41/43/568904143.db2.gz YKCVLZVXRNJEFI-OAHLLOKOSA-N 0 0 430.457 1.629 50 0 biogenic IDAARN Cn1c2nc(N3CCCC3)n(C[C@@H](O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O ZINC000006444818 568907245 /nfs/dbraw/zinc/90/72/45/568907245.db2.gz UJPCDNQFYQFKMQ-QGZVFWFLSA-N 0 0 435.484 1.617 50 0 IDAARN COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)[C@H](C)O ZINC000239030869 568910450 /nfs/dbraw/zinc/91/04/50/568910450.db2.gz CMDMFCXLUPCMSQ-ZOCIIQOWSA-N 0 0 430.457 1.268 50 0 IDAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000245255029 568913632 /nfs/dbraw/zinc/91/36/32/568913632.db2.gz DTLWWGXQJYGKEB-IIAWOOMASA-N 0 0 448.994 1.728 50 0 IDAARN O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCCn2ccnc2)CC1 ZINC000245255170 568913662 /nfs/dbraw/zinc/91/36/62/568913662.db2.gz FVDYDJQIXZKZKC-KESTWPANSA-N 0 0 425.533 1.742 50 0 IDAARN COCCNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000245256083 568913819 /nfs/dbraw/zinc/91/38/19/568913819.db2.gz NMDJECBMURUXQS-SHTZXODSSA-N 0 0 445.969 1.304 50 0 IDAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2SC(N)=C3C(=O)Oc4ccccc4[C@H]3[C@H]2C1=O ZINC000245312506 568914836 /nfs/dbraw/zinc/91/48/36/568914836.db2.gz VDJYLKBQDGNOHS-ZMSDIMECSA-N 0 0 436.445 1.951 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncnc4c5ccccc5oc43)CC2)C[C@H](C)O1 ZINC000026776442 568916678 /nfs/dbraw/zinc/91/66/78/568916678.db2.gz TVOTVPUYHUTNSN-GASCZTMLSA-N 0 0 431.518 1.852 50 0 IDAARN CC(=O)c1ccc(N2CCN(CC(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000089292066 568919862 /nfs/dbraw/zinc/91/98/62/568919862.db2.gz BECXRYYXFXIRKN-GOSISDBHSA-N 0 0 437.537 1.328 50 0 IDAARN COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](CCSC)NC(N)=O)CC1 ZINC000089396276 568922308 /nfs/dbraw/zinc/92/23/08/568922308.db2.gz VNIPERSPTHLMEW-HOTGVXAUSA-N 0 0 442.969 1.488 50 0 IDAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000026879260 568923515 /nfs/dbraw/zinc/92/35/15/568923515.db2.gz NFNLLMKNSUAQHT-UHFFFAOYSA-N 0 0 431.470 1.287 50 0 IDAARN Cc1ccc(OCC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000064526182 568931237 /nfs/dbraw/zinc/93/12/37/568931237.db2.gz XTAZLAUYBXRBPE-UHFFFAOYSA-N 0 0 438.484 1.400 50 0 IDAARN COCCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3cccc(F)c3)nn2C)C1 ZINC000064565598 568932467 /nfs/dbraw/zinc/93/24/67/568932467.db2.gz HIVBLEDJNUQVBN-UHFFFAOYSA-N 0 0 445.495 1.629 50 0 IDAARN Cn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)N1CCOCC1)C2 ZINC000064565593 568932511 /nfs/dbraw/zinc/93/25/11/568932511.db2.gz HFXGCPBNTJSQEF-UHFFFAOYSA-N 0 0 443.479 1.335 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)N[C@@H](C)c1ccccc1)c(=O)n2C ZINC000064604683 568938904 /nfs/dbraw/zinc/93/89/04/568938904.db2.gz OQXDVOOAOZZPGG-ZDUSSCGKSA-N 0 0 436.468 1.637 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)CC2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000036000054 568941742 /nfs/dbraw/zinc/94/17/42/568941742.db2.gz WZONAZDEVIOYHT-FQEVSTJZSA-N 0 0 432.496 1.893 50 0 IDAARN CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)COC ZINC000036073978 568946373 /nfs/dbraw/zinc/94/63/73/568946373.db2.gz FOCMCYQXWAZGFW-UHFFFAOYSA-N 0 0 427.505 1.296 50 0 IDAARN O=C(c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(F)cc2)c1=O)N1CCOCC1 ZINC000036085153 568947698 /nfs/dbraw/zinc/94/76/98/568947698.db2.gz RMFDSSZXITXJKZ-UHFFFAOYSA-N 0 0 428.395 1.193 50 0 IDAARN Cc1ccccc1Cn1c(=O)c(C(=O)NC[C@@H]2CCCO2)nn(-c2ccccc2F)c1=O ZINC000036085316 568947890 /nfs/dbraw/zinc/94/78/90/568947890.db2.gz PPVDSHFNEHYRHH-KRWDZBQOSA-N 0 0 438.459 1.799 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085479 568947908 /nfs/dbraw/zinc/94/79/08/568947908.db2.gz OZIYTSGSZVEFOV-UHFFFAOYSA-N 0 0 430.411 1.487 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036085786 568948330 /nfs/dbraw/zinc/94/83/30/568948330.db2.gz FTUMBXKMCIWVLN-UHFFFAOYSA-N 0 0 444.875 1.481 50 0 IDAARN Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1 ZINC000036086712 568948956 /nfs/dbraw/zinc/94/89/56/568948956.db2.gz DHNQXVFSDJIOJV-LJQANCHMSA-N 0 0 438.459 1.799 50 0 IDAARN CC(C)(C)S(=O)(=O)c1ccc2nn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)n2n1 ZINC000064775372 568954491 /nfs/dbraw/zinc/95/44/91/568954491.db2.gz AHHVNTQLRXOWOC-UHFFFAOYSA-N 0 0 429.502 1.591 50 0 IDAARN CC(C)Cn1c2nn(CC(=O)NCCc3ccccc3)c(=O)n2c2ccsc2c1=O ZINC000064775188 568954538 /nfs/dbraw/zinc/95/45/38/568954538.db2.gz WYNNFGHHCMMCKV-UHFFFAOYSA-N 0 0 425.514 1.887 50 0 IDAARN COC(=O)Cn1c2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2oc1=O ZINC000064818694 568965185 /nfs/dbraw/zinc/96/51/85/568965185.db2.gz KZBSRXFEKLDUKF-UHFFFAOYSA-N 0 0 431.470 1.278 50 0 IDAARN COc1cc(CNC(=O)c2cc(=O)nc3sc(N4CCCC4)nn32)cc(OC)c1OC ZINC000064837024 568969495 /nfs/dbraw/zinc/96/94/95/568969495.db2.gz RRTOXMQVSZADJJ-UHFFFAOYSA-N 0 0 445.501 1.707 50 0 IDAARN CCOC(=O)c1sc2[nH]c(CN(CCCOC)C[C@H](O)COC)nc(=O)c2c1C ZINC000036207260 568973208 /nfs/dbraw/zinc/97/32/08/568973208.db2.gz HILJBBAEYGJPOB-ZDUSSCGKSA-N 0 0 427.523 1.316 50 0 IDAARN COCC(=O)N1CCC([C@H](NC(=O)c2cccc(OC)c2)C(=O)NCc2ccco2)CC1 ZINC000036211065 568976997 /nfs/dbraw/zinc/97/69/97/568976997.db2.gz YPYVMYPNEFNQSU-NRFANRHFSA-N 0 0 443.500 1.588 50 0 IDAARN CC[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000036228996 568978404 /nfs/dbraw/zinc/97/84/04/568978404.db2.gz RMXBDFAGPSILAI-TZMCWYRMSA-N 0 0 432.926 1.869 50 0 IDAARN CC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000036228993 568978467 /nfs/dbraw/zinc/97/84/67/568978467.db2.gz RMXBDFAGPSILAI-JSGCOSHPSA-N 0 0 432.926 1.869 50 0 IDAARN COc1cc(NC(=O)CN2CCN(Cc3ccccc3)C(=O)C2=O)cc(OC)c1OC ZINC000064888461 568979144 /nfs/dbraw/zinc/97/91/44/568979144.db2.gz WURCJYIEAJTIGR-UHFFFAOYSA-N 0 0 427.457 1.522 50 0 IDAARN CCN(CC)C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC)c2=O)no1 ZINC000064888411 568979487 /nfs/dbraw/zinc/97/94/87/568979487.db2.gz MFTOKKLCNXWFKJ-UHFFFAOYSA-N 0 0 446.895 1.919 50 0 IDAARN COc1cc(NC(=O)CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc(OC)c1OC ZINC000064888539 568979663 /nfs/dbraw/zinc/97/96/63/568979663.db2.gz SXAYKGDWFWXAQS-UHFFFAOYSA-N 0 0 445.447 1.661 50 0 IDAARN COCCCNC(=O)CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C(F)(F)F ZINC000064889016 568980067 /nfs/dbraw/zinc/98/00/67/568980067.db2.gz QRWJCOANHSZIJN-UHFFFAOYSA-N 0 0 436.456 1.848 50 0 IDAARN O=C(c1ccncc1)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000064889658 568980414 /nfs/dbraw/zinc/98/04/14/568980414.db2.gz VPYDOSBUCYCVPT-UHFFFAOYSA-N 0 0 436.877 1.213 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3ccccn3)CC1)O[C@@H](C)C(=O)N2 ZINC000064889710 568980635 /nfs/dbraw/zinc/98/06/35/568980635.db2.gz KZOGRZFKUHLPBF-AWEZNQCLSA-N 0 0 430.486 1.256 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4cccs4)CC3)cc2NC1=O ZINC000064890036 568980805 /nfs/dbraw/zinc/98/08/05/568980805.db2.gz IOPGMLMIFSDUPI-CYBMUJFWSA-N 0 0 435.527 1.543 50 0 IDAARN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 ZINC000064890065 568980818 /nfs/dbraw/zinc/98/08/18/568980818.db2.gz JBIXAHCQSOYELE-MRXNPFEDSA-N 0 0 443.525 1.790 50 0 IDAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccn4)CC3)cc2NC1=O ZINC000064890149 568981162 /nfs/dbraw/zinc/98/11/62/568981162.db2.gz JGBTXKHNYDPQFF-KRWDZBQOSA-N 0 0 430.486 1.338 50 0 IDAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CC(=O)N3CCOCC3)s2)CC1 ZINC000064919839 568985275 /nfs/dbraw/zinc/98/52/75/568985275.db2.gz IXBPTVWZXYHMPO-UHFFFAOYSA-N 0 0 430.548 1.113 50 0 IDAARN COC(=O)CNC(=O)N1CCN(c2nc3ccccc3n(Cc3ccc(C)cc3)c2=O)CC1 ZINC000064926382 568986987 /nfs/dbraw/zinc/98/69/87/568986987.db2.gz AMHVOLKYIBLMBC-UHFFFAOYSA-N 0 0 449.511 1.758 50 0 IDAARN O=C(Cn1c2c3cccnc3sc2c(=O)n(C[C@@H]2CCCO2)c1=O)NCc1ccco1 ZINC000064942053 568991321 /nfs/dbraw/zinc/99/13/21/568991321.db2.gz XRGDXDMOMBMKDI-AWEZNQCLSA-N 0 0 440.481 1.861 50 0 IDAARN CCS(=O)(=O)Nc1ccc(C)n(CC(=O)NCc2ccccc2Br)c1=O ZINC000169681071 568991472 /nfs/dbraw/zinc/99/14/72/568991472.db2.gz KASBKTLNNAMEJZ-UHFFFAOYSA-N 0 0 442.335 1.997 50 0 IDAARN Cc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000064943438 568992597 /nfs/dbraw/zinc/99/25/97/568992597.db2.gz JAHRRIAPECSVEQ-UHFFFAOYSA-N 0 0 441.465 1.430 50 0 IDAARN COc1cc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc(OC)c1OC ZINC000064943966 568993115 /nfs/dbraw/zinc/99/31/15/568993115.db2.gz JMBSESDXGMKCFP-UHFFFAOYSA-N 0 0 427.392 1.848 50 0 IDAARN CCN1C(=O)c2c(C(=O)N3CCOCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953214 568997262 /nfs/dbraw/zinc/99/72/62/568997262.db2.gz ZUXVBHXZMXGLRV-JOCHJYFZSA-N 0 0 443.479 1.045 50 0 IDAARN CCCN1C(=O)c2c(C(=O)NCc3cccnc3)ncn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064953621 568997769 /nfs/dbraw/zinc/99/77/69/568997769.db2.gz CANPFJJAFWYBOD-HSZRJFAPSA-N 0 0 438.532 1.891 50 0 IDAARN COc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)NC2=O)c1 ZINC000064965746 569001020 /nfs/dbraw/zinc/00/10/20/569001020.db2.gz FONSEPNPUYWBQZ-UHFFFAOYSA-N 0 0 441.509 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CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccnn4C)CC3)ccc21 ZINC000065032994 569091712 /nfs/dbraw/zinc/09/17/12/569091712.db2.gz JZWABAXBXNIQRI-UHFFFAOYSA-N 0 0 449.558 1.524 50 0 IDAARN O=C(CN1CCN(C(=O)CN2CSCC2=O)CC1)Nc1ccccc1C(F)(F)F ZINC000036384050 569092744 /nfs/dbraw/zinc/09/27/44/569092744.db2.gz UWFYECGSUDSJGN-UHFFFAOYSA-N 0 0 430.452 1.321 50 0 IDAARN O=C(CN1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1)N1CCOCC1 ZINC000036389531 569093778 /nfs/dbraw/zinc/09/37/78/569093778.db2.gz JYBURBGTCDZHAC-UHFFFAOYSA-N 0 0 448.527 1.096 50 0 IDAARN CCOCCCNC(=O)Cn1c(=O)c2cnc(-c3ccc(Cl)cc3)nc2n(C)c1=O ZINC000065057087 569095048 /nfs/dbraw/zinc/09/50/48/569095048.db2.gz JJXHGUOFCJBZTK-UHFFFAOYSA-N 0 0 431.880 1.353 50 0 IDAARN Cn1c(=O)n(CC(=O)NC[C@H]2CCCO2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057059 569095072 /nfs/dbraw/zinc/09/50/72/569095072.db2.gz LIECANINCWOYQC-CQSZACIVSA-N 0 0 429.864 1.106 50 0 IDAARN COc1ccc(CNC(=O)Cn2c(=O)c3cnc(-c4ccccc4)nc3n(C)c2=O)cc1 ZINC000065057414 569095703 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ZINC000036624940 569126992 /nfs/dbraw/zinc/12/69/92/569126992.db2.gz GZAXMKDNPYVVTJ-SFHVURJKSA-N 0 0 441.550 1.134 50 0 IDAARN COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524734185 569127438 /nfs/dbraw/zinc/12/74/38/569127438.db2.gz GOQOEBSYDWOFIJ-OAHLLOKOSA-N 0 0 436.411 1.593 50 0 IDAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1ccc(S(N)(=O)=O)cc1 ZINC000524734356 569127740 /nfs/dbraw/zinc/12/77/40/569127740.db2.gz VUUFRZPARXXBOD-MDKPJZGXSA-N 0 0 429.498 1.103 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)N[C@@H]1CCS(=O)(=O)C1 ZINC000524734624 569127744 /nfs/dbraw/zinc/12/77/44/569127744.db2.gz WOULUQYUSHSAAF-VLIAUNLRSA-N 0 0 439.493 1.495 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCN(Cc2cccnc2)CC1 ZINC000524733871 569127967 /nfs/dbraw/zinc/12/79/67/569127967.db2.gz XQPQSXFKRYJJET-KRWDZBQOSA-N 0 0 447.417 1.658 50 0 IDAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCc2c(C)nn(C)c2C)CC3)CC1 ZINC000065273579 569129761 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0 IDAARN O=C(NCCc1ccccc1)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 ZINC000065319220 569134805 /nfs/dbraw/zinc/13/48/05/569134805.db2.gz KMAVTKWTNCPZQF-UHFFFAOYSA-N 0 0 442.497 1.730 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc3ncn(CCc4ccccc4)c(=O)c3c2)cn1 ZINC000065321087 569136335 /nfs/dbraw/zinc/13/63/35/569136335.db2.gz LEMJOZIUGXLXSX-UHFFFAOYSA-N 0 0 449.492 1.934 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(C(=O)CSc3ccc(F)cc3)CC2)cn1C ZINC000238836554 569137328 /nfs/dbraw/zinc/13/73/28/569137328.db2.gz GVTRCXCFSAIPSA-UHFFFAOYSA-N 0 0 426.539 1.883 50 0 IDAARN O=C(NCCN1Cc2ccccc2OCC1=O)[C@@H]1CC(=O)N(CCc2cccs2)C1 ZINC000238832165 569137359 /nfs/dbraw/zinc/13/73/59/569137359.db2.gz GEDBTHIRYVKSRL-QGZVFWFLSA-N 0 0 427.526 1.677 50 0 IDAARN Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)ccc21 ZINC000238888900 569137713 /nfs/dbraw/zinc/13/77/13/569137713.db2.gz QKKZMLMNXLVOPZ-LJQANCHMSA-N 0 0 427.482 1.844 50 0 IDAARN C[C@H]1CN(S(=O)(=O)N2CCN(Cn3c4ccccc4oc3=S)CC2)C[C@H](C)O1 ZINC000036823748 569138217 /nfs/dbraw/zinc/13/82/17/569138217.db2.gz UDAQHNKEPMDNOH-GJZGRUSLSA-N 0 0 426.564 1.893 50 0 IDAARN C[C@@H]1CN(c2ccccc2NC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000065535256 569139527 /nfs/dbraw/zinc/13/95/27/569139527.db2.gz APBUAPMFJPLGFK-BZUAXINKSA-N 0 0 438.550 1.115 50 0 IDAARN NC(=O)COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1 ZINC000239579026 569139601 /nfs/dbraw/zinc/13/96/01/569139601.db2.gz DDTPZCRFTJPQOY-QGZVFWFLSA-N 0 0 427.482 1.941 50 0 IDAARN Cc1oc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc1S(=O)(=O)N1CCCC1 ZINC000065577580 569139836 /nfs/dbraw/zinc/13/98/36/569139836.db2.gz VXGZJUJVAJICSJ-AWEZNQCLSA-N 0 0 427.548 1.414 50 0 IDAARN NC(=O)CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000065622940 569140422 /nfs/dbraw/zinc/14/04/22/569140422.db2.gz YOMUUEUADKXXRA-UHFFFAOYSA-N 0 0 426.292 1.143 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1 ZINC000240104300 569140661 /nfs/dbraw/zinc/14/06/61/569140661.db2.gz UPCVINUOIZPPOI-UHFFFAOYSA-N 0 0 446.916 1.797 50 0 IDAARN COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000170596390 569141954 /nfs/dbraw/zinc/14/19/54/569141954.db2.gz AUUXOZJFNJBRNP-NEPJUHHUSA-N 0 0 441.369 1.596 50 0 IDAARN CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)C(=O)C1 ZINC000170600742 569142911 /nfs/dbraw/zinc/14/29/11/569142911.db2.gz YPSZNCDWSXXUJR-INIZCTEOSA-N 0 0 430.509 1.066 50 0 IDAARN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000170601395 569143105 /nfs/dbraw/zinc/14/31/05/569143105.db2.gz BRSBZBBAOYKOBR-LRDDRELGSA-N 0 0 443.504 1.795 50 0 IDAARN COC(=O)[C@H](CS(=O)(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccccc1 ZINC000170603702 569143688 /nfs/dbraw/zinc/14/36/88/569143688.db2.gz SOHXCDIRPFKHMN-MOPGFXCFSA-N 0 0 436.530 1.838 50 0 IDAARN CC(C)(C)OC(=O)N1CCC(N(C(=O)Cn2cccn2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000170607572 569144263 /nfs/dbraw/zinc/14/42/63/569144263.db2.gz HKJAXQGGGXPLOR-MRXNPFEDSA-N 0 0 426.539 1.298 50 0 IDAARN O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCN(c2ncccn2)CC1 ZINC000170607820 569144450 /nfs/dbraw/zinc/14/44/50/569144450.db2.gz IEDKJUKWGDVKJD-OALUTQOASA-N 0 0 432.484 1.717 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nc3ccccc3c3nc(C)nn32)c(=O)[nH]c1=O ZINC000013229278 569149192 /nfs/dbraw/zinc/14/91/92/569149192.db2.gz JTWVDTKNLDILAO-UHFFFAOYSA-N 0 0 425.474 1.403 50 0 IDAARN Cc1ccc(-n2ncc3c2nc(N[C@H]2CCS(=O)(=O)C2)nc3N2CCOCC2)cc1 ZINC000071195149 569149549 /nfs/dbraw/zinc/14/95/49/569149549.db2.gz XPHSCEBUIVFKIG-HNNXBMFYSA-N 0 0 428.518 1.560 50 0 IDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000009882335 569149615 /nfs/dbraw/zinc/14/96/15/569149615.db2.gz JCYOFCXWCMDGHB-KRWDZBQOSA-N 0 0 432.498 1.915 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000009883663 569150074 /nfs/dbraw/zinc/15/00/74/569150074.db2.gz HNQJGTIUOMEYCP-UONOGXRCSA-N 0 0 447.513 1.960 50 0 IDAARN C[C@@]1(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)CCS(=O)(=O)C1 ZINC000009909783 569150335 /nfs/dbraw/zinc/15/03/35/569150335.db2.gz HEXYVWQKOGWEAZ-RTWAWAEBSA-N 0 0 429.498 1.300 50 0 IDAARN C[C@@]1(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)CCS(=O)(=O)C1 ZINC000009909780 569150355 /nfs/dbraw/zinc/15/03/55/569150355.db2.gz HEXYVWQKOGWEAZ-NHCUHLMSSA-N 0 0 429.498 1.300 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000071284121 569150800 /nfs/dbraw/zinc/15/08/00/569150800.db2.gz YBJXHTWWDXBNCI-UHFFFAOYSA-N 0 0 449.527 1.737 50 0 IDAARN O=C([O-])[C@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000071288661 569150994 /nfs/dbraw/zinc/15/09/94/569150994.db2.gz HQNLBCQUZJYGKV-MRXNPFEDSA-N 0 0 441.488 1.490 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1C ZINC000010027164 569151684 /nfs/dbraw/zinc/15/16/84/569151684.db2.gz XTVXWAHOWYCDPT-UHFFFAOYSA-N 0 0 425.532 1.925 50 0 IDAARN CCOCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219879 569152736 /nfs/dbraw/zinc/15/27/36/569152736.db2.gz ZKQCIUIDRSDOHL-UHFFFAOYSA-N 0 0 440.909 1.435 50 0 IDAARN CCOc1ccc(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OCC ZINC000010218474 569153483 /nfs/dbraw/zinc/15/34/83/569153483.db2.gz NIKCGHHDJLBGBM-UHFFFAOYSA-N 0 0 449.529 1.220 50 0 IDAARN O=C(NCCCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 ZINC000010219713 569153825 /nfs/dbraw/zinc/15/38/25/569153825.db2.gz FQZZGFVAHKZHSQ-UHFFFAOYSA-N 0 0 438.509 1.988 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 ZINC000010219694 569153838 /nfs/dbraw/zinc/15/38/38/569153838.db2.gz SJJWSMUDVBAIAS-UHFFFAOYSA-N 0 0 440.481 1.564 50 0 IDAARN CN1CCN(n2c(=O)nc(SCC(=O)NCc3ccccc3)c3c2CCCC3)CC1 ZINC000010255173 569153957 /nfs/dbraw/zinc/15/39/57/569153957.db2.gz NDNBLJGRXPISSR-UHFFFAOYSA-N 0 0 427.574 1.414 50 0 IDAARN CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000010385980 569154439 /nfs/dbraw/zinc/15/44/39/569154439.db2.gz LSMOJTYRRXAOKN-CQSZACIVSA-N 0 0 435.912 1.595 50 0 IDAARN Cn1c2nc(N3CCCC3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000010385966 569154478 /nfs/dbraw/zinc/15/44/78/569154478.db2.gz MSPFBJXHVNAPOU-CQSZACIVSA-N 0 0 433.896 1.127 50 0 IDAARN CCOC(=O)CNC(=O)CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000010384923 569154508 /nfs/dbraw/zinc/15/45/08/569154508.db2.gz XZZBWVPCDIHHEH-UHFFFAOYSA-N 0 0 446.407 1.790 50 0 IDAARN CCc1cccc(OC[C@@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385159 569154512 /nfs/dbraw/zinc/15/45/12/569154512.db2.gz CWPXLBMMKSXIDF-KRWDZBQOSA-N 0 0 441.532 1.662 50 0 IDAARN O=C(c1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000071824216 569154634 /nfs/dbraw/zinc/15/46/34/569154634.db2.gz NLDBFDYSLYVXAX-SFHVURJKSA-N 0 0 448.566 1.628 50 0 IDAARN COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1F ZINC000013729815 569156918 /nfs/dbraw/zinc/15/69/18/569156918.db2.gz FYHRDLUGIQXMQZ-LLVKDONJSA-N 0 0 428.463 1.948 50 0 IDAARN CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000014101681 569157828 /nfs/dbraw/zinc/15/78/28/569157828.db2.gz TXNYLMBGZKAFLW-UHFFFAOYSA-N 0 0 426.516 1.577 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)c(=O)[nH]c1=O ZINC000014655959 569160615 /nfs/dbraw/zinc/16/06/15/569160615.db2.gz YWHXLFTWDUGWID-AWEZNQCLSA-N 0 0 443.504 1.252 50 0 IDAARN COc1ccc(N(C[C@H](O)C[NH2+][C@@H](C)C(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016839613 569162964 /nfs/dbraw/zinc/16/29/64/569162964.db2.gz XIJYLMXKGISIIK-XJKSGUPXSA-N 0 0 442.921 1.968 50 0 IDAARN Cn1c2nc(N3CCCCC3)n(C[C@H](O)COc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000016839472 569163006 /nfs/dbraw/zinc/16/30/06/569163006.db2.gz BQWVSCOZDSCWPZ-AWEZNQCLSA-N 0 0 447.923 1.517 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 ZINC000016913853 569165929 /nfs/dbraw/zinc/16/59/29/569165929.db2.gz ZGPNEUVXUUJISB-UHFFFAOYSA-N 0 0 444.494 1.781 50 0 IDAARN CC(=O)N(CCC(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1)Cc1ccccc1 ZINC000089930356 569167915 /nfs/dbraw/zinc/16/79/15/569167915.db2.gz ASANXOVLYAYFQM-FQEVSTJZSA-N 0 0 435.532 1.896 50 0 IDAARN COc1ccc(C(=O)N2C[C@@H](C)Oc3ncccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000089941258 569168408 /nfs/dbraw/zinc/16/84/08/569168408.db2.gz DOFHZLYXZRAPKA-CQSZACIVSA-N 0 0 433.486 1.539 50 0 IDAARN CCNC(=O)C(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000089977378 569169448 /nfs/dbraw/zinc/16/94/48/569169448.db2.gz IPEMYGSSZQNARS-UHFFFAOYSA-N 0 0 439.578 1.765 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCN(C)CC3)c12 ZINC000016992984 569169836 /nfs/dbraw/zinc/16/98/36/569169836.db2.gz YTBVKVFHGQHEHS-OAHLLOKOSA-N 0 0 443.529 1.747 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 ZINC000017043068 569171387 /nfs/dbraw/zinc/17/13/87/569171387.db2.gz VZAXWMXXCNKUEC-CRAIPNDOSA-N 0 0 436.555 1.983 50 0 IDAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000017114534 569174155 /nfs/dbraw/zinc/17/41/55/569174155.db2.gz ISELQUTVVRYRPY-UHFFFAOYSA-N 0 0 432.546 1.776 50 0 IDAARN CC(C)CNC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1 ZINC000017113214 569174168 /nfs/dbraw/zinc/17/41/68/569174168.db2.gz DRJMJGSMWLEUQX-NRFANRHFSA-N 0 0 427.524 1.972 50 0 IDAARN COCCN1C(=O)C(=CN=c2[nH]c3ccccc3nc2N2CCCC2)C(=O)NC1=S ZINC000009282958 569176826 /nfs/dbraw/zinc/17/68/26/569176826.db2.gz VEWSZAHRNVNBSX-SEYXRHQNSA-N 0 0 426.502 1.416 50 0 IDAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)c(OC)c1 ZINC000002107588 569181331 /nfs/dbraw/zinc/18/13/31/569181331.db2.gz OTKJRFPKWCKFIY-CVDCTZTESA-N 0 0 435.480 1.862 50 0 biogenic IDAARN O=C(N[C@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000252444418 569183769 /nfs/dbraw/zinc/18/37/69/569183769.db2.gz WCZIOJIMYNHZLV-DZKIICNBSA-N 0 0 430.523 1.337 50 0 IDAARN Cc1ccccc1NC(=O)[C@@H](C)NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002126659 569183992 /nfs/dbraw/zinc/18/39/92/569183992.db2.gz SOJAAJNZOAFWND-VLAJGBEZSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN Cc1ccc2c(c1)[C@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000002129174 569184328 /nfs/dbraw/zinc/18/43/28/569184328.db2.gz YJTFAPLZYSXKBF-ZHNFZGJGSA-N 0 0 433.464 1.780 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000002130498 569184892 /nfs/dbraw/zinc/18/48/92/569184892.db2.gz FKWBHSUGFQMCEU-NARGUJOISA-N 0 0 433.464 1.780 50 0 biogenic IDAARN C[C@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccccc1O ZINC000002133891 569185101 /nfs/dbraw/zinc/18/51/01/569185101.db2.gz LPLHLJDAFSPKOR-ZOVYDAAZSA-N 0 0 436.461 1.232 50 0 biogenic IDAARN Cc1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c1 ZINC000002134502 569185162 /nfs/dbraw/zinc/18/51/62/569185162.db2.gz DXEGUBZOOFITMD-VLAJGBEZSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN O=C(CNC(=O)c1cccc(F)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000027200785 569185240 /nfs/dbraw/zinc/18/52/40/569185240.db2.gz NXIYHDJSAMPOMU-UHFFFAOYSA-N 0 0 441.431 1.367 50 0 IDAARN CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)cc1 ZINC000002145177 569186771 /nfs/dbraw/zinc/18/67/71/569186771.db2.gz PITRTVIPSFZHBI-KRWDZBQOSA-N 0 0 440.408 1.907 50 0 biogenic IDAARN O=C(NCC1CCN(c2ncc(F)cn2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000252500956 569188219 /nfs/dbraw/zinc/18/82/19/569188219.db2.gz UADYYEKFIHMAHG-UHFFFAOYSA-N 0 0 440.479 1.714 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1OC ZINC000252539854 569190166 /nfs/dbraw/zinc/19/01/66/569190166.db2.gz ONNSVJFGHIGOAP-QZTJIDSGSA-N 0 0 441.484 1.611 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)cc1C ZINC000002192768 569190756 /nfs/dbraw/zinc/19/07/56/569190756.db2.gz BOONNEQVMPKXRK-UHFFFAOYSA-N 0 0 449.500 1.690 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1OC ZINC000252571283 569191013 /nfs/dbraw/zinc/19/10/13/569191013.db2.gz XRHKKAFHXWAIGY-MSOLQXFVSA-N 0 0 441.484 1.959 50 0 IDAARN COc1ccc(CCC(=O)N2CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 ZINC000170656130 569192544 /nfs/dbraw/zinc/19/25/44/569192544.db2.gz ZWVKNBROVXGBFQ-UHFFFAOYSA-N 0 0 444.454 1.550 50 0 IDAARN O=C(COc1ccc(F)cc1)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CO2 ZINC000037513059 569198129 /nfs/dbraw/zinc/19/81/29/569198129.db2.gz NPWGUDVOOGXEBR-UHFFFAOYSA-N 0 0 428.416 1.672 50 0 IDAARN O=C(COc1ccccc1F)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CO2 ZINC000037520057 569198322 /nfs/dbraw/zinc/19/83/22/569198322.db2.gz IECVHWDTZSUJAY-UHFFFAOYSA-N 0 0 428.416 1.672 50 0 IDAARN O=C(CCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)N1CCCC1 ZINC000037576530 569201470 /nfs/dbraw/zinc/20/14/70/569201470.db2.gz GROXLFCZTCQZOL-UHFFFAOYSA-N 0 0 427.480 1.811 50 0 IDAARN CC(C)CNC(=O)CN(CC(=O)NCC(C)C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000007779505 569202534 /nfs/dbraw/zinc/20/25/34/569202534.db2.gz GCERYUREQGXQRJ-MRXNPFEDSA-N 0 0 426.583 1.241 50 0 IDAARN COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccc(OC)cc4)O[C@@H]3[C@H](O)[C@H]2NC(C)=O)cc1 ZINC000252627693 569203535 /nfs/dbraw/zinc/20/35/35/569203535.db2.gz RZSHWDOZSGCONM-LAAXVVMPSA-N 0 0 445.468 1.787 50 0 IDAARN CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@]12c1ccccc1NC2=O ZINC000002218524 569204232 /nfs/dbraw/zinc/20/42/32/569204232.db2.gz AJTRHOSDDGBAEE-JOCHJYFZSA-N 0 0 430.457 1.884 50 0 IDAARN COc1ccc(N2Cc3nn(CC(=O)N4CCN(c5ccccc5)CC4)c(=O)n3C2=O)cc1 ZINC000066091306 569205740 /nfs/dbraw/zinc/20/57/40/569205740.db2.gz YOGZHXNUINSGHD-UHFFFAOYSA-N 0 0 448.483 1.391 50 0 IDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252667125 569209725 /nfs/dbraw/zinc/20/97/25/569209725.db2.gz CTRANMPOYHMYAR-GOSISDBHSA-N 0 0 426.473 1.671 50 0 IDAARN CCn1cc(C=c2sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@@H]2C(=O)OC)c(C)n1 ZINC000252676560 569210358 /nfs/dbraw/zinc/21/03/58/569210358.db2.gz XKWVEXZLFVLRPN-NPPFBWRTSA-N 0 0 438.509 1.384 50 0 IDAARN C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000252695384 569211103 /nfs/dbraw/zinc/21/11/03/569211103.db2.gz ZDZLHYCCYICKBX-BFFGJUFNSA-N 0 0 439.899 1.684 50 0 biogenic IDAARN Cn1c2ncn(C[C@H](O)Cn3c4ccccc4nc3Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000952617 569212218 /nfs/dbraw/zinc/21/22/18/569212218.db2.gz RMLXWCATAFKYHX-KRWDZBQOSA-N 0 0 444.495 1.435 50 0 biogenic IDAARN Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(Cl)c1 ZINC000002264877 569216218 /nfs/dbraw/zinc/21/62/18/569216218.db2.gz LZSXBXAKTFDQHO-UHFFFAOYSA-N 0 0 438.922 1.691 50 0 IDAARN CCO[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)[C@@]12CCCO2 ZINC000253369248 569263961 /nfs/dbraw/zinc/26/39/61/569263961.db2.gz AFSPWTBZQCALIL-LYSIVYOWSA-N 0 0 438.546 1.600 50 0 IDAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000253385991 569264203 /nfs/dbraw/zinc/26/42/03/569264203.db2.gz VDTPQSMPHAKDCF-RULACWDSSA-N 0 0 429.448 1.988 50 0 IDAARN Cn1c(=O)c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)OC(C)(C)C)cnc2n(C)c1=O ZINC000253394727 569264563 /nfs/dbraw/zinc/26/45/63/569264563.db2.gz LPIICECIGSXBPT-QGZVFWFLSA-N 0 0 438.484 1.315 50 0 IDAARN CN(CC(=O)OC(C)(C)C)[C@H]1CN(Cc2nnc(C(=O)Nc3ccccc3)s2)C[C@H]1O ZINC000253415634 569266382 /nfs/dbraw/zinc/26/63/82/569266382.db2.gz LGFOADKUYPAMEV-JKSUJKDBSA-N 0 0 447.561 1.609 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2F)c1 ZINC000253424705 569267108 /nfs/dbraw/zinc/26/71/08/569267108.db2.gz JVMNKKJSPUUENQ-UHFFFAOYSA-N 0 0 425.467 1.662 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)OCC(N)=O)cc1 ZINC000253426359 569267379 /nfs/dbraw/zinc/26/73/79/569267379.db2.gz FPOQLKXKBWZERS-LJQANCHMSA-N 0 0 432.498 1.792 50 0 IDAARN O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000002338685 569274942 /nfs/dbraw/zinc/27/49/42/569274942.db2.gz ITLLBGBJIXZGKY-FAODYONGSA-N 0 0 437.427 1.611 50 0 IDAARN CN1c2ccccc2N(CCNS(=O)(=O)c2ccc(-n3cccn3)cc2)S1(=O)=O ZINC000253472121 569282725 /nfs/dbraw/zinc/28/27/25/569282725.db2.gz JQMGRTDOIGGHPZ-UHFFFAOYSA-N 0 0 433.515 1.352 50 0 IDAARN CCCCn1c2nc(COC(=O)C=Cc3ccc(OC)c(OC)c3)n(C)c2c(=O)[nH]c1=O ZINC000009646776 569297621 /nfs/dbraw/zinc/29/76/21/569297621.db2.gz LTKSNTZBWUTDGY-CSKARUKUSA-N 0 0 442.472 1.997 50 0 IDAARN CCn1ccc(=O)n(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1=O ZINC000013009724 569306595 /nfs/dbraw/zinc/30/65/95/569306595.db2.gz ICOPATJNSWPKKD-PTNGSMBKSA-N 0 0 446.460 1.022 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nc2nccc(C)n2n1 ZINC000013017662 569307245 /nfs/dbraw/zinc/30/72/45/569307245.db2.gz DCLQVOHMFONBIA-UHFFFAOYSA-N 0 0 430.490 1.868 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)ccc3OC)CC2)cc1 ZINC000013058566 569308551 /nfs/dbraw/zinc/30/85/51/569308551.db2.gz IMRNGZKRRPQNGY-UHFFFAOYSA-N 0 0 433.530 1.957 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)cc1 ZINC000013063551 569308797 /nfs/dbraw/zinc/30/87/97/569308797.db2.gz WZHTWTLEZHFJTL-UTKZUKDTSA-N 0 0 434.562 1.760 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OC ZINC000013098936 569310019 /nfs/dbraw/zinc/31/00/19/569310019.db2.gz NFYYNKBYNFXTAV-UHFFFAOYSA-N 0 0 441.531 1.625 50 0 IDAARN NC(=O)Cn1c(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2ccccc2c1=O ZINC000013163635 569312401 /nfs/dbraw/zinc/31/24/01/569312401.db2.gz BTSCSOWIHFRGJY-NSHDSACASA-N 0 0 432.531 1.617 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O ZINC000013164617 569312518 /nfs/dbraw/zinc/31/25/18/569312518.db2.gz GVTMGPSQYXAJBC-RCDICMHDSA-N 0 0 439.424 1.139 50 0 IDAARN COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000013371704 569315084 /nfs/dbraw/zinc/31/50/84/569315084.db2.gz NPZIRZSUZFEDPE-PMACEKPBSA-N 0 0 439.555 1.475 50 0 IDAARN COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2OC)cc1 ZINC000013371701 569315088 /nfs/dbraw/zinc/31/50/88/569315088.db2.gz DOQNOCYKPFUMRS-ICSRJNTNSA-N 0 0 439.555 1.475 50 0 IDAARN COc1ccccc1CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 ZINC000013371836 569315111 /nfs/dbraw/zinc/31/51/11/569315111.db2.gz AAYBJZYWASSEAW-HKUYNNGSSA-N 0 0 427.519 1.872 50 0 IDAARN COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000013371538 569315113 /nfs/dbraw/zinc/31/51/13/569315113.db2.gz QZMIDIUWXPAVML-LPHOPBHVSA-N 0 0 443.518 1.572 50 0 IDAARN COC(=O)[C@H](CO)NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000328591650 569317062 /nfs/dbraw/zinc/31/70/62/569317062.db2.gz GHORDHPVPNOLRX-HNNXBMFYSA-N 0 0 446.403 1.770 50 0 IDAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3nnc(-c4ccc(F)cc4)[nH]3)cc(C3CC3)nc21 ZINC000078758306 569319090 /nfs/dbraw/zinc/31/90/90/569319090.db2.gz ZOUAOECPLLMZMT-UHFFFAOYSA-N 0 0 449.446 1.836 50 0 IDAARN Cc1nnc(CN2CCN(C(=O)[C@H]3CCN(c4cccc(Br)c4)C3=O)CC2)[nH]1 ZINC000078823362 569319432 /nfs/dbraw/zinc/31/94/32/569319432.db2.gz LQWJTPOKNHLIDQ-MRXNPFEDSA-N 0 0 447.337 1.573 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc([S@](C)=O)c(F)c3)C2=O)cc1 ZINC000078879229 569320033 /nfs/dbraw/zinc/32/00/33/569320033.db2.gz ZMICVCUDUSFFLV-WENCNXQZSA-N 0 0 433.461 1.977 50 0 IDAARN Cc1nc2cc(C(=O)NC[C@H](C(C)C)N3CCOCC3)ccc2n1[C@@H]1CCS(=O)(=O)C1 ZINC000078902862 569320151 /nfs/dbraw/zinc/32/01/51/569320151.db2.gz WLQBYYVOYMPEQB-WIYYLYMNSA-N 0 0 448.589 1.791 50 0 IDAARN O=C1CCC(=O)N1CCN1CCN([C@H]2CCN(c3ccccc3OC(F)F)C2=O)CC1 ZINC000078969422 569320964 /nfs/dbraw/zinc/32/09/64/569320964.db2.gz NOPBTTJJCSEPKA-INIZCTEOSA-N 0 0 436.459 1.160 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[S@@](=O)C[C@@H]1C ZINC000078969402 569320987 /nfs/dbraw/zinc/32/09/87/569320987.db2.gz QHIUIWQFQJNHFO-OQRWROFFSA-N 0 0 427.592 1.561 50 0 IDAARN CC(C)C[C@H](C(=O)N(C)C[C@H](O)COCCOC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000078986966 569321375 /nfs/dbraw/zinc/32/13/75/569321375.db2.gz HFWAGDMXHQTNFB-VNTMZGSJSA-N 0 0 438.565 1.613 50 0 IDAARN CCCNC(=O)Nc1cccc(OC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000078989457 569321493 /nfs/dbraw/zinc/32/14/93/569321493.db2.gz ABSCKOLRDORZGB-CYBMUJFWSA-N 0 0 437.522 1.841 50 0 IDAARN COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000079111293 569326232 /nfs/dbraw/zinc/32/62/32/569326232.db2.gz SGMXETMUZWLPIM-UHFFFAOYSA-N 0 0 447.517 1.518 50 0 IDAARN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000079488517 569331199 /nfs/dbraw/zinc/33/11/99/569331199.db2.gz HGUOPZQUHFUFBC-SKPFHBQLSA-N 0 0 427.545 1.809 50 0 IDAARN COc1ccc(S(=O)(=O)CCNC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)cc1 ZINC000079489064 569331321 /nfs/dbraw/zinc/33/13/21/569331321.db2.gz RUZPBOIZABVKPA-KRWDZBQOSA-N 0 0 432.546 1.909 50 0 IDAARN CN1c2ccccc2N(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)S1(=O)=O ZINC000390826422 569353808 /nfs/dbraw/zinc/35/38/08/569353808.db2.gz KSHJWXRXRBIKFV-CQSZACIVSA-N 0 0 432.477 1.496 50 0 IDAARN CC(C)(C)OC(=O)N1CCC(CC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000390830756 569354269 /nfs/dbraw/zinc/35/42/69/569354269.db2.gz NDMXHNFBAQSQGN-MRXNPFEDSA-N 0 0 429.525 1.856 50 0 IDAARN O=C(NCCNS(=O)(=O)c1cccc2nsnc21)C(=O)Nc1ccccc1Cl ZINC000094993010 569355735 /nfs/dbraw/zinc/35/57/35/569355735.db2.gz WUOPSTZTYLKMSS-UHFFFAOYSA-N 0 0 439.906 1.378 50 0 IDAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCc4ccccn4)[nH]c3c2cc1OC ZINC000020234043 569357234 /nfs/dbraw/zinc/35/72/34/569357234.db2.gz WUUPQTSAGIKYKV-AWEZNQCLSA-N 0 0 439.497 1.863 50 0 IDAARN CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1ccccn1 ZINC000020284248 569358933 /nfs/dbraw/zinc/35/89/33/569358933.db2.gz MDJSSXAMYQTOJY-MRXNPFEDSA-N 0 0 432.502 1.536 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c2[C@@H]1c1ccccc1 ZINC000020356403 569361370 /nfs/dbraw/zinc/36/13/70/569361370.db2.gz ITVKXAMCBAQZBZ-SFHVURJKSA-N 0 0 425.485 1.357 50 0 IDAARN Cc1ccn2c(c1)ncc(C(=O)N(C)CC(=O)Nc1ccc(N3CCOCC3)cc1)c2=O ZINC000095350362 569361828 /nfs/dbraw/zinc/36/18/28/569361828.db2.gz GIQXQIGFPICFQI-UHFFFAOYSA-N 0 0 435.484 1.550 50 0 IDAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCN(c3cccc(C)c3)[C@@H](C)C2)CC1 ZINC000020379037 569362492 /nfs/dbraw/zinc/36/24/92/569362492.db2.gz FZOLFKGLZLRNFY-KRWDZBQOSA-N 0 0 426.517 1.585 50 0 IDAARN Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)c1 ZINC000020389113 569363282 /nfs/dbraw/zinc/36/32/82/569363282.db2.gz QXLMZUFFBKKQKY-IBGZPJMESA-N 0 0 437.562 1.407 50 0 IDAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nccs1 ZINC000080357795 569363334 /nfs/dbraw/zinc/36/33/34/569363334.db2.gz CTGMIVDFHSZKNX-OLZOCXBDSA-N 0 0 440.522 1.826 50 0 IDAARN CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1 ZINC000095399143 569363661 /nfs/dbraw/zinc/36/36/61/569363661.db2.gz QLRDJKXQVMASPI-XBBWARJSSA-N 0 0 427.567 1.129 50 0 IDAARN NC(=O)c1cc([C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)n[nH]1 ZINC000095402714 569364188 /nfs/dbraw/zinc/36/41/88/569364188.db2.gz AHIWULGBOYKTSL-GFCCVEGCSA-N 0 0 439.925 1.237 50 0 IDAARN Cc1c2cnn(CC(=O)NCCCN3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417074 569364795 /nfs/dbraw/zinc/36/47/95/569364795.db2.gz AVTBPIAZWNMJSU-UHFFFAOYSA-N 0 0 437.544 1.702 50 0 IDAARN O=C(Nc1c[nH]cc(Br)c1=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000095446449 569367262 /nfs/dbraw/zinc/36/72/62/569367262.db2.gz IYWGAJHQAIMYFX-UHFFFAOYSA-N 0 0 448.320 1.472 50 0 IDAARN C[C@H](Cc1ncc[nH]1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000095450376 569367785 /nfs/dbraw/zinc/36/77/85/569367785.db2.gz SKFMXSZLYVYIPB-CQSZACIVSA-N 0 0 426.926 1.544 50 0 IDAARN COC(=O)[C@@H]1CC(=O)NN(Cc2coc(-c3ccc(I)cc3)n2)C1 ZINC000095452668 569368093 /nfs/dbraw/zinc/36/80/93/569368093.db2.gz VPHMRSLBZFPLEF-LLVKDONJSA-N 0 0 441.225 1.972 50 0 IDAARN O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000095455453 569368513 /nfs/dbraw/zinc/36/85/13/569368513.db2.gz CQLGPLOQDLQQKO-UHFFFAOYSA-N 0 0 431.440 1.610 50 0 IDAARN NC(=O)c1cccc(NC(=O)C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000095461284 569369787 /nfs/dbraw/zinc/36/97/87/569369787.db2.gz HDILNSCYKOAZNL-UHFFFAOYSA-N 0 0 436.394 1.318 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(C)CC2)CC1 ZINC000095464879 569370533 /nfs/dbraw/zinc/37/05/33/569370533.db2.gz IPEIHWBCFPQXOF-PKOBYXMFSA-N 0 0 430.549 1.437 50 0 IDAARN CCN(CC)C(=O)CCCNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000095465630 569370779 /nfs/dbraw/zinc/37/07/79/569370779.db2.gz XLSFTDMJDGPTJB-QHCPKHFHSA-N 0 0 426.517 1.893 50 0 IDAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCc2ccncc21 ZINC000095467845 569371228 /nfs/dbraw/zinc/37/12/28/569371228.db2.gz PDBBCWMUHLWMRT-UHFFFAOYSA-N 0 0 428.514 1.284 50 0 IDAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1cccnc1 ZINC000095471253 569371865 /nfs/dbraw/zinc/37/18/65/569371865.db2.gz XXTIGXRVCQVXNU-HUUCEWRRSA-N 0 0 434.493 1.765 50 0 IDAARN O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095474112 569372440 /nfs/dbraw/zinc/37/24/40/569372440.db2.gz NKUGXECALUMJCJ-CYBMUJFWSA-N 0 0 430.461 1.645 50 0 IDAARN COc1ccc(S(=O)(=O)CCNC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)cc1 ZINC000095474515 569372590 /nfs/dbraw/zinc/37/25/90/569372590.db2.gz GCAYLYLJMCHYPE-UHFFFAOYSA-N 0 0 433.461 1.443 50 0 IDAARN COc1cc2nc(C)n(CCNC(=O)[C@H]3COc4ccccc4O3)c(=O)c2cc1OC ZINC000095476305 569372992 /nfs/dbraw/zinc/37/29/92/569372992.db2.gz HNLYWAWMTUYMKJ-HXUWFJFHSA-N 0 0 425.441 1.678 50 0 IDAARN COc1cn(CC(=O)NCC2CCOCC2)c(CN2CCc3ccccc3C2)cc1=O ZINC000095476586 569373090 /nfs/dbraw/zinc/37/30/90/569373090.db2.gz QFTYHHKNQPFFOC-UHFFFAOYSA-N 0 0 425.529 1.958 50 0 IDAARN O=c1cc(CO)oc(C(c2cccc(OC(F)F)c2)c2oc(CO)cc(=O)c2O)c1O ZINC000095480920 569374047 /nfs/dbraw/zinc/37/40/47/569374047.db2.gz MVTSAPNFAKERQI-UHFFFAOYSA-N 0 0 438.335 1.770 50 0 IDAARN O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000020622622 569374639 /nfs/dbraw/zinc/37/46/39/569374639.db2.gz UGQCWTLZVDPDNI-UHFFFAOYSA-N 0 0 444.576 1.178 50 0 IDAARN C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@@H]2CCCO2)c3=O)CC1 ZINC000020643856 569374883 /nfs/dbraw/zinc/37/48/83/569374883.db2.gz BUNSPWQOMVOLRY-KRWDZBQOSA-N 0 0 445.589 1.232 50 0 IDAARN O=S(=O)(c1ccccc1N1CCC(N2CCS(=O)(=O)CC2)CC1)C(F)(F)F ZINC000095946035 569375914 /nfs/dbraw/zinc/37/59/14/569375914.db2.gz WKSHHSHIUIAHEQ-UHFFFAOYSA-N 0 0 426.482 1.679 50 0 IDAARN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C ZINC000095989060 569378192 /nfs/dbraw/zinc/37/81/92/569378192.db2.gz QONASJUHYVXNIW-HNNXBMFYSA-N 0 0 448.520 1.061 50 0 IDAARN O=C(Cn1cc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)cn1)NCCO ZINC000095993495 569378420 /nfs/dbraw/zinc/37/84/20/569378420.db2.gz KWTJAEDEBVYQRO-UHFFFAOYSA-N 0 0 433.266 1.192 50 0 IDAARN COC(=O)C[C@@H](NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C1CC1 ZINC000096004353 569379160 /nfs/dbraw/zinc/37/91/60/569379160.db2.gz TVISZDHDZJKRFW-LJQANCHMSA-N 0 0 448.545 1.527 50 0 IDAARN CCOC(=O)c1sc(NC(=O)N2CCO[C@@H](C(=O)NC)C2)c(C(=O)OCC)c1C ZINC000096005564 569379369 /nfs/dbraw/zinc/37/93/69/569379369.db2.gz DUSPJHSQFINHTJ-LLVKDONJSA-N 0 0 427.479 1.389 50 0 IDAARN CN(C)C(=O)Cn1cc(C(=O)NC[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)nn1 ZINC000096011872 569379891 /nfs/dbraw/zinc/37/98/91/569379891.db2.gz HQOTXAXWEUEWQX-IBGZPJMESA-N 0 0 432.484 1.956 50 0 IDAARN CCOCCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096012251 569380076 /nfs/dbraw/zinc/38/00/76/569380076.db2.gz WYTAHNJXDIILJF-AWEZNQCLSA-N 0 0 439.456 1.161 50 0 IDAARN COC(=O)C=Cc1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000096055571 569381112 /nfs/dbraw/zinc/38/11/12/569381112.db2.gz SNJJIYTYSORPEH-AFNCTOJWSA-N 0 0 436.490 1.576 50 0 IDAARN COc1ccc(-c2nn([C@H](C)C(=O)NCCCN3CCOCC3)c(=O)cc2OC)cc1 ZINC000096101079 569381740 /nfs/dbraw/zinc/38/17/40/569381740.db2.gz UPSPRVVPQCJXRB-MRXNPFEDSA-N 0 0 430.505 1.327 50 0 IDAARN CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 ZINC000096105287 569382278 /nfs/dbraw/zinc/38/22/78/569382278.db2.gz CVAZBORMVASMCQ-LBPRGKRZSA-N 0 0 428.478 1.546 50 0 IDAARN CC(C)Oc1ccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc1 ZINC000096114748 569383073 /nfs/dbraw/zinc/38/30/73/569383073.db2.gz JGLBSWILFXSFBG-UHFFFAOYSA-N 0 0 430.409 1.956 50 0 biogenic IDAARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096116442 569383873 /nfs/dbraw/zinc/38/38/73/569383873.db2.gz XQUKAYLGQXOATK-AABGKKOBSA-N 0 0 448.523 1.737 50 0 biogenic IDAARN CCc1ccc(S(=O)(=O)N2CCC(c3nn(CCOC)c(=O)n3CC)CC2)s1 ZINC000096119167 569384649 /nfs/dbraw/zinc/38/46/49/569384649.db2.gz ZUUXSOLKMACWLC-UHFFFAOYSA-N 0 0 428.580 1.903 50 0 IDAARN CCn1c(=O)n(CCOC)nc1C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 ZINC000096119166 569384712 /nfs/dbraw/zinc/38/47/12/569384712.db2.gz JGYQGERRHLDILJ-UHFFFAOYSA-N 0 0 442.513 1.427 50 0 IDAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000096121833 569385157 /nfs/dbraw/zinc/38/51/57/569385157.db2.gz NSKOHAOUNMTADD-UHFFFAOYSA-N 0 0 441.351 1.975 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000096121909 569385183 /nfs/dbraw/zinc/38/51/83/569385183.db2.gz ITAUQVXISKVNSY-UHFFFAOYSA-N 0 0 425.484 1.329 50 0 IDAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(OC)cc2OC)o1 ZINC000096231164 569387478 /nfs/dbraw/zinc/38/74/78/569387478.db2.gz YUSIFJWFYMRSAB-KRWDZBQOSA-N 0 0 433.457 1.890 50 0 IDAARN COc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C)n2)cc1 ZINC000096322067 569394402 /nfs/dbraw/zinc/39/44/02/569394402.db2.gz UERPAVIQDGDUEM-UHFFFAOYSA-N 0 0 430.442 1.821 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(OC)cc3)CC2)c1C ZINC000096323353 569395198 /nfs/dbraw/zinc/39/51/98/569395198.db2.gz FQJXNSSIVDKOSA-UHFFFAOYSA-N 0 0 436.534 1.440 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(NC(C)=O)c3)CC2)c1C ZINC000096323335 569395223 /nfs/dbraw/zinc/39/52/23/569395223.db2.gz MLSRPLROKMLOBK-UHFFFAOYSA-N 0 0 433.534 1.625 50 0 IDAARN CC(=O)Nc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000096324818 569396106 /nfs/dbraw/zinc/39/61/06/569396106.db2.gz PUFYVOQGTUQGQP-UHFFFAOYSA-N 0 0 432.484 1.957 50 0 IDAARN CNC(=O)CS(=O)(=O)C1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000096377066 569398239 /nfs/dbraw/zinc/39/82/39/569398239.db2.gz ALNXHHMDTQAOSF-UHFFFAOYSA-N 0 0 431.352 1.534 50 0 IDAARN O=S(=O)(c1ccccc1)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000096444310 569400739 /nfs/dbraw/zinc/40/07/39/569400739.db2.gz SKXOVIKPWBSUDK-UHFFFAOYSA-N 0 0 443.577 1.583 50 0 IDAARN COCCN1CC[C@@H](N2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O ZINC000097077884 569403021 /nfs/dbraw/zinc/40/30/21/569403021.db2.gz ZTHXORQIGJZEJH-OAQYLSRUSA-N 0 0 435.590 1.509 50 0 IDAARN O=C1[C@H](N2CCCN(S(=O)(=O)c3cccc4nsnc43)CC2)CCN1CC1CC1 ZINC000097077568 569403032 /nfs/dbraw/zinc/40/30/32/569403032.db2.gz QFYPMARIZWKJDZ-MRXNPFEDSA-N 0 0 435.575 1.399 50 0 IDAARN CCOC(=O)CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)(C)C ZINC000097165007 569403346 /nfs/dbraw/zinc/40/33/46/569403346.db2.gz KVRMBEJHXBHCTM-UHFFFAOYSA-N 0 0 442.534 1.520 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 ZINC000225545332 569404043 /nfs/dbraw/zinc/40/40/43/569404043.db2.gz QNRCBOJHCYVDLU-UHFFFAOYSA-N 0 0 448.524 1.693 50 0 IDAARN COc1ccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055408609 569404761 /nfs/dbraw/zinc/40/47/61/569404761.db2.gz MAOYCCSILAQNLG-RBUKOAKNSA-N 0 0 446.525 1.727 50 0 IDAARN O=C(c1n[nH]nc1-c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000225585272 569404978 /nfs/dbraw/zinc/40/49/78/569404978.db2.gz YEZIAFPQHKHZNL-SFHVURJKSA-N 0 0 437.431 1.735 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 ZINC000225601689 569405410 /nfs/dbraw/zinc/40/54/10/569405410.db2.gz QDCWODSCAOKVCG-UHFFFAOYSA-N 0 0 445.545 1.068 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1 ZINC000225606167 569405594 /nfs/dbraw/zinc/40/55/94/569405594.db2.gz OKWRDDRZMRYFCY-UHFFFAOYSA-N 0 0 445.545 1.068 50 0 IDAARN CS(=O)(=O)c1ccc(CCC(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000225619874 569405872 /nfs/dbraw/zinc/40/58/72/569405872.db2.gz BIBAJERROJSCHR-UHFFFAOYSA-N 0 0 428.576 1.343 50 0 IDAARN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](N3C(=O)COC3=O)C2)cc1 ZINC000225700778 569407289 /nfs/dbraw/zinc/40/72/89/569407289.db2.gz DTGXDCHGJQNRGC-HNNXBMFYSA-N 0 0 437.518 1.232 50 0 IDAARN Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)c1C ZINC000225700744 569407301 /nfs/dbraw/zinc/40/73/01/569407301.db2.gz RPDQCTWUAMVDGO-MRXNPFEDSA-N 0 0 437.518 1.168 50 0 IDAARN Cc1noc(-c2ccn3c(c2)nnc3CNS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)n1 ZINC000225746917 569408044 /nfs/dbraw/zinc/40/80/44/569408044.db2.gz NWRJIACETYPRDR-UHFFFAOYSA-N 0 0 441.429 1.011 50 0 IDAARN CCn1cccc1-c1noc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000225768765 569408410 /nfs/dbraw/zinc/40/84/10/569408410.db2.gz QXHLECRLMNWISP-UHFFFAOYSA-N 0 0 445.501 1.509 50 0 IDAARN COc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000002629826 569412131 /nfs/dbraw/zinc/41/21/31/569412131.db2.gz KEXVDKFCLMKMBW-UHFFFAOYSA-N 0 0 438.477 1.794 50 0 IDAARN Cc1c(C(N)=O)sc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C(=O)OC(C)C ZINC000002803676 569422516 /nfs/dbraw/zinc/42/25/16/569422516.db2.gz OQSINJXINNOIEZ-UHFFFAOYSA-N 0 0 431.536 1.331 50 0 IDAARN O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000002908085 569424619 /nfs/dbraw/zinc/42/46/19/569424619.db2.gz HVOVHYBGCGROOE-UHFFFAOYSA-N 0 0 425.474 1.331 50 0 IDAARN CCOC(=O)CNC(=O)c1sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c2c1C ZINC000002926762 569425753 /nfs/dbraw/zinc/42/57/53/569425753.db2.gz BUAUTVYNHJGGNJ-STQMWFEESA-N 0 0 448.545 1.564 50 0 IDAARN CC(=O)[C@H](C)n1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056896003 569427322 /nfs/dbraw/zinc/42/73/22/569427322.db2.gz GJLRDFFGYYKMTC-ZDUSSCGKSA-N 0 0 444.923 1.549 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000056908006 569427671 /nfs/dbraw/zinc/42/76/71/569427671.db2.gz LKEQLEIYCRLDBX-MRXNPFEDSA-N 0 0 433.534 1.687 50 0 IDAARN COc1ccc(N2C[C@@H](NC(=O)NCCN3CCN(c4ccccc4)CC3)CC2=O)cc1 ZINC000056925358 569427673 /nfs/dbraw/zinc/42/76/73/569427673.db2.gz XXOPSEVGJCYSMY-IBGZPJMESA-N 0 0 437.544 1.922 50 0 IDAARN Cn1c2nc(N3CCN(Cc4ccccc4F)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000056952590 569428647 /nfs/dbraw/zinc/42/86/47/569428647.db2.gz HHFWRAIWZUQYHT-UHFFFAOYSA-N 0 0 448.502 1.933 50 0 IDAARN COc1cccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000056998121 569429012 /nfs/dbraw/zinc/42/90/12/569429012.db2.gz ACUQBVVMKBDJMN-ROUUACIJSA-N 0 0 430.482 1.438 50 0 IDAARN COC(=O)COc1ccc(S(=O)(=O)NCCC(=O)NC(C)C)cc1Br ZINC000226743934 569429143 /nfs/dbraw/zinc/42/91/43/569429143.db2.gz RTAMJOXAGNWIOH-UHFFFAOYSA-N 0 0 437.312 1.194 50 0 IDAARN Cc1cc(C(=O)CN(C)CC(=O)N2CCOCC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000057381141 569432918 /nfs/dbraw/zinc/43/29/18/569432918.db2.gz MOOISIMXYKFABP-UHFFFAOYSA-N 0 0 427.501 1.855 50 0 IDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000002968734 569433194 /nfs/dbraw/zinc/43/31/94/569433194.db2.gz SEOVILNFPNYYNM-KRWDZBQOSA-N 0 0 435.509 1.613 50 0 IDAARN COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000230077022 569433337 /nfs/dbraw/zinc/43/33/37/569433337.db2.gz SPWCARZIVZOXHP-WOJBJXKFSA-N 0 0 430.526 1.761 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414527 569433950 /nfs/dbraw/zinc/43/39/50/569433950.db2.gz XRKYJLQRRNQJOI-LJQANCHMSA-N 0 0 446.504 1.072 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000057415113 569434009 /nfs/dbraw/zinc/43/40/09/569434009.db2.gz DBHKZARGZGJIQC-GOSISDBHSA-N 0 0 442.907 1.733 50 0 IDAARN CCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3OC)CC2)c1=O ZINC000057478690 569435893 /nfs/dbraw/zinc/43/58/93/569435893.db2.gz IHNJYFKOUAZQAD-UHFFFAOYSA-N 0 0 428.514 1.602 50 0 IDAARN O=C(Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O)NC[C@@H]1CCCO1 ZINC000057504214 569438124 /nfs/dbraw/zinc/43/81/24/569438124.db2.gz DQFOZTIQINWAGH-HNNXBMFYSA-N 0 0 438.419 1.647 50 0 IDAARN COc1ccc(CNC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1 ZINC000057520637 569438738 /nfs/dbraw/zinc/43/87/38/569438738.db2.gz GBHFOOCXXKCFFM-UHFFFAOYSA-N 0 0 429.502 1.082 50 0 IDAARN COc1cc(N2C[C@H](C(=O)N[C@@H](CO)Cc3ccccc3)CC2=O)cc(OC)c1OC ZINC000230216733 569440171 /nfs/dbraw/zinc/44/01/71/569440171.db2.gz CITVVMPDFVMORJ-IAGOWNOFSA-N 0 0 428.485 1.785 50 0 IDAARN O=C([C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000230278250 569440675 /nfs/dbraw/zinc/44/06/75/569440675.db2.gz PYNPAQTUPDNUCS-FGTMMUONSA-N 0 0 435.480 1.571 50 0 biogenic IDAARN O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000030381883 569441962 /nfs/dbraw/zinc/44/19/62/569441962.db2.gz GWIZJIQZNMIQKY-UHFFFAOYSA-N 0 0 433.461 1.232 50 0 IDAARN C[C@@H]1CN(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@@H](C)O1 ZINC000003237810 569442522 /nfs/dbraw/zinc/44/25/22/569442522.db2.gz LIKGULSBNRTINB-ZIAGYGMSSA-N 0 0 443.477 1.856 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c(=O)n(C)c1=O ZINC000003244403 569442705 /nfs/dbraw/zinc/44/27/05/569442705.db2.gz NFFVZVIYIJJUSV-UHFFFAOYSA-N 0 0 425.825 1.713 50 0 IDAARN Cn1nc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O ZINC000003299479 569444912 /nfs/dbraw/zinc/44/49/12/569444912.db2.gz RNKSTOOLKMRZMA-UHFFFAOYSA-N 0 0 440.481 1.768 50 0 IDAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCC(=O)NCc1ccncc1 ZINC000058014370 569444968 /nfs/dbraw/zinc/44/49/68/569444968.db2.gz HUXLBNYUTAPANJ-UHFFFAOYSA-N 0 0 425.514 1.555 50 0 IDAARN Cc1c(NC(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000003321419 569445963 /nfs/dbraw/zinc/44/59/63/569445963.db2.gz DRASMNVNVBASMQ-UHFFFAOYSA-N 0 0 447.455 1.320 50 0 IDAARN Nc1nc(O)c(CC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)s1 ZINC000003331533 569446507 /nfs/dbraw/zinc/44/65/07/569446507.db2.gz WDUQXKHBFMQLDC-MRXNPFEDSA-N 0 0 426.454 1.995 50 0 IDAARN CN(C1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)CC1)S(C)(=O)=O ZINC000058156054 569448980 /nfs/dbraw/zinc/44/89/80/569448980.db2.gz KCRDSQWADKFECY-UHFFFAOYSA-N 0 0 440.525 1.882 50 0 IDAARN COC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc(C)c1C ZINC000058163041 569449374 /nfs/dbraw/zinc/44/93/74/569449374.db2.gz VSCUGAQULYYJAN-UHFFFAOYSA-N 0 0 447.513 1.826 50 0 IDAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O ZINC000003437736 569451079 /nfs/dbraw/zinc/45/10/79/569451079.db2.gz QTUHCZIWUPVKKH-HXUWFJFHSA-N 0 0 434.518 1.520 50 0 IDAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003441930 569451261 /nfs/dbraw/zinc/45/12/61/569451261.db2.gz LMERWNBZJOKFIY-UHFFFAOYSA-N 0 0 433.486 1.387 50 0 IDAARN O=C(COc1ccc(Br)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000031388082 569456198 /nfs/dbraw/zinc/45/61/98/569456198.db2.gz OAMWYIMMPSUQDK-UHFFFAOYSA-N 0 0 432.340 1.313 50 0 IDAARN CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1nccn1CC(F)(F)F ZINC000058297643 569452511 /nfs/dbraw/zinc/45/25/11/569452511.db2.gz ABJNRVWLIRNSMB-UHFFFAOYSA-N 0 0 431.440 1.114 50 0 IDAARN O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000058308226 569452772 /nfs/dbraw/zinc/45/27/72/569452772.db2.gz ULGOKVFWGYXQKK-UHFFFAOYSA-N 0 0 434.522 1.133 50 0 IDAARN CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000003557175 569453982 /nfs/dbraw/zinc/45/39/82/569453982.db2.gz FYVJRVYZRVAMPB-UHFFFAOYSA-N 0 0 431.514 1.671 50 0 IDAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000031810327 569457654 /nfs/dbraw/zinc/45/76/54/569457654.db2.gz WKZAQZJPVOSQLT-INIZCTEOSA-N 0 0 425.464 1.039 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000031811893 569457792 /nfs/dbraw/zinc/45/77/92/569457792.db2.gz DWEBPENILAETQG-LLVKDONJSA-N 0 0 426.882 1.064 50 0 IDAARN CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@H](C(=O)OCC)C3)cc(C3CC3)nc21 ZINC000032059887 569459091 /nfs/dbraw/zinc/45/90/91/569459091.db2.gz BXNRWEDRXXMABQ-AWEZNQCLSA-N 0 0 428.489 1.788 50 0 IDAARN CC(C)(C)C(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 ZINC000004124402 569460077 /nfs/dbraw/zinc/46/00/77/569460077.db2.gz XTHCCECFXZPRBX-KRWDZBQOSA-N 0 0 428.342 1.537 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000038488423 569463092 /nfs/dbraw/zinc/46/30/92/569463092.db2.gz DZFNHHPTIVLVKH-KRWDZBQOSA-N 0 0 434.537 1.890 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)cc1 ZINC000038575680 569464111 /nfs/dbraw/zinc/46/41/11/569464111.db2.gz KWMSFQGUUKETSE-UHFFFAOYSA-N 0 0 436.540 1.963 50 0 IDAARN CCOc1cc(=O)c(C(=O)N2CCN(c3ncccn3)CC2)nn1-c1ccc(OC)cc1 ZINC000067245768 569465948 /nfs/dbraw/zinc/46/59/48/569465948.db2.gz PRRUEUBBZKXTMD-UHFFFAOYSA-N 0 0 436.472 1.392 50 0 IDAARN CCOc1ccc(-n2ccn(CC(=O)NCc3ccc(OC)c(OC)c3)c(=O)c2=O)cc1 ZINC000067256145 569466045 /nfs/dbraw/zinc/46/60/45/569466045.db2.gz ISNBVKXMLPSBIP-UHFFFAOYSA-N 0 0 439.468 1.732 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286965 569467090 /nfs/dbraw/zinc/46/70/90/569467090.db2.gz TVTOSGSIPMGMDU-IBGZPJMESA-N 0 0 432.546 1.744 50 0 IDAARN CCOC(=O)C1CCN(CC2=NC(=O)N[C@@H](c3cccc(OC)c3)C2C(=O)OC)CC1 ZINC000067287806 569467284 /nfs/dbraw/zinc/46/72/84/569467284.db2.gz QDDSTWUPBOBQLJ-IBGZPJMESA-N 0 0 431.489 1.751 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000067287280 569467315 /nfs/dbraw/zinc/46/73/15/569467315.db2.gz DKRQKINHNVBLQS-GOSISDBHSA-N 0 0 434.468 1.771 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccccc2)CC1 ZINC000067300391 569468218 /nfs/dbraw/zinc/46/82/18/569468218.db2.gz SPTROJOPMDKFQL-UHFFFAOYSA-N 0 0 442.516 1.491 50 0 IDAARN CCOC(=O)C1CCN(C(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)CC1 ZINC000067301041 569468270 /nfs/dbraw/zinc/46/82/70/569468270.db2.gz SSFGLBPVQTVVNF-UHFFFAOYSA-N 0 0 445.491 1.694 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)N[C@@H](C)c4ccccc4)c(=O)c3s2)CC1 ZINC000067319320 569468546 /nfs/dbraw/zinc/46/85/46/569468546.db2.gz WCZNVLBWDQMQHV-HNNXBMFYSA-N 0 0 426.546 1.872 50 0 IDAARN Cn1cc(C(=O)N2CCCC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337123 569468937 /nfs/dbraw/zinc/46/89/37/569468937.db2.gz CZWFEWMHNNQTQJ-UHFFFAOYSA-N 0 0 437.953 1.820 50 0 IDAARN CC(C)NC(=O)NC(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000008669764 569470012 /nfs/dbraw/zinc/47/00/12/569470012.db2.gz ZHBCVXGTOUWXTF-UHFFFAOYSA-N 0 0 425.441 1.993 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000008703946 569470182 /nfs/dbraw/zinc/47/01/82/569470182.db2.gz WQKTZEAVHSUQTD-GOSISDBHSA-N 0 0 447.513 1.426 50 0 IDAARN CC1=NN(CCCO)c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2[C@H]1C ZINC000008706133 569470489 /nfs/dbraw/zinc/47/04/89/569470489.db2.gz OXUWELZOWCRDON-LBPRGKRZSA-N 0 0 448.886 1.877 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000008707206 569470544 /nfs/dbraw/zinc/47/05/44/569470544.db2.gz LOIMBRSYZZHHFB-QFIPXVFZSA-N 0 0 438.440 1.353 50 0 IDAARN CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000008709732 569470797 /nfs/dbraw/zinc/47/07/97/569470797.db2.gz FKIWJCOEILBYRH-AWEZNQCLSA-N 0 0 428.468 1.878 50 0 IDAARN CCOCCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(OC)cc2OC)n(C)c1=O ZINC000008709695 569470809 /nfs/dbraw/zinc/47/08/09/569470809.db2.gz FJONPAVVHYVKJX-UHFFFAOYSA-N 0 0 427.461 1.501 50 0 IDAARN CCN(C(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000008710546 569470918 /nfs/dbraw/zinc/47/09/18/569470918.db2.gz DIOHMEIPBLPABC-ZDUSSCGKSA-N 0 0 434.543 1.659 50 0 IDAARN COC(=O)Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000008720707 569471646 /nfs/dbraw/zinc/47/16/46/569471646.db2.gz VGFNLSSGLDZEJB-ZDUSSCGKSA-N 0 0 432.502 1.854 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC2)c1 ZINC000008728330 569472422 /nfs/dbraw/zinc/47/24/22/569472422.db2.gz QDKJEDSDVVZXMY-UHFFFAOYSA-N 0 0 447.557 1.371 50 0 IDAARN Cc1nn(CC(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000008745967 569473007 /nfs/dbraw/zinc/47/30/07/569473007.db2.gz JMKOQODDHWWKQX-UHFFFAOYSA-N 0 0 446.529 1.531 50 0 IDAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000008748566 569473204 /nfs/dbraw/zinc/47/32/04/569473204.db2.gz ICTHYVWKMBHYKN-QGZVFWFLSA-N 0 0 434.445 1.567 50 0 IDAARN CC[C@@H](C)N(C(=O)COC(=O)c1cncc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008824620 569477188 /nfs/dbraw/zinc/47/71/88/569477188.db2.gz YAARNNXVCJLYID-RISCZKNCSA-N 0 0 433.324 1.815 50 0 IDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008825549 569477394 /nfs/dbraw/zinc/47/73/94/569477394.db2.gz GIMHHFZFLLVUCT-UHFFFAOYSA-N 0 0 426.458 1.964 50 0 IDAARN CCOc1ccccc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(OC)cc1 ZINC000008849160 569479173 /nfs/dbraw/zinc/47/91/73/569479173.db2.gz OITGPFCSNUJOIX-UHFFFAOYSA-N 0 0 437.456 1.603 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C ZINC000008849279 569479223 /nfs/dbraw/zinc/47/92/23/569479223.db2.gz ZMJIMDXGAPHOSW-UHFFFAOYSA-N 0 0 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O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000040023655 569482773 /nfs/dbraw/zinc/48/27/73/569482773.db2.gz UPLHUIXFXLXMKG-UHFFFAOYSA-N 0 0 436.421 1.582 50 0 IDAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008881012 569482890 /nfs/dbraw/zinc/48/28/90/569482890.db2.gz RFTZVBWBMVALDA-IBGZPJMESA-N 0 0 429.498 1.450 50 0 IDAARN O=C(C[C@H]1Oc2ccccc2NC1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008881010 569482891 /nfs/dbraw/zinc/48/28/91/569482891.db2.gz RFTZVBWBMVALDA-LJQANCHMSA-N 0 0 429.498 1.450 50 0 IDAARN CS(=O)(=O)N1CCC(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000040030591 569483074 /nfs/dbraw/zinc/48/30/74/569483074.db2.gz HCTSHEYKUCVMCX-UHFFFAOYSA-N 0 0 443.525 1.756 50 0 IDAARN CCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1ccncc1 ZINC000008898271 569483989 /nfs/dbraw/zinc/48/39/89/569483989.db2.gz REEFTYZBVNGOPG-UHFFFAOYSA-N 0 0 429.506 1.738 50 0 IDAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000040050310 569484160 /nfs/dbraw/zinc/48/41/60/569484160.db2.gz PVXWSHZOLDJZKN-MZNJEOGPSA-N 0 0 444.495 1.829 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1O ZINC000040051670 569484472 /nfs/dbraw/zinc/48/44/72/569484472.db2.gz SESMAZMSRNHQBY-UHFFFAOYSA-N 0 0 429.448 1.779 50 0 IDAARN Cc1cc(NC(=O)Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)no1 ZINC000008903425 569484500 /nfs/dbraw/zinc/48/45/00/569484500.db2.gz HGEQXUBQWMYMCL-UHFFFAOYSA-N 0 0 435.322 1.811 50 0 IDAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008915157 569485530 /nfs/dbraw/zinc/48/55/30/569485530.db2.gz CAYNKEUVAAIJJF-NSHDSACASA-N 0 0 447.922 1.346 50 0 IDAARN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1nc2ccccc2[nH]1 ZINC000040070033 569485626 /nfs/dbraw/zinc/48/56/26/569485626.db2.gz PQOZEGARODSBDZ-ZDUSSCGKSA-N 0 0 427.486 1.174 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000040073928 569486228 /nfs/dbraw/zinc/48/62/28/569486228.db2.gz 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ZINC000009672164 569558721 /nfs/dbraw/zinc/55/87/21/569558721.db2.gz RUJQFJGVODVHDX-HNNXBMFYSA-N 0 0 435.488 1.277 50 0 IDAARN CCC(=O)N(c1nnc(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1)C1CC1 ZINC000009672191 569558746 /nfs/dbraw/zinc/55/87/46/569558746.db2.gz WFDCYNUTUJSFRR-UHFFFAOYSA-N 0 0 449.562 1.373 50 0 IDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)c(OC)c1 ZINC000009678058 569559582 /nfs/dbraw/zinc/55/95/82/569559582.db2.gz QEKJKFSHQQHFQR-UHFFFAOYSA-N 0 0 428.424 1.585 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)NC(=O)N[C@@H]1C ZINC000009683194 569560317 /nfs/dbraw/zinc/56/03/17/569560317.db2.gz PNMPKEIKCLHJNG-GIPWTMENSA-N 0 0 431.470 1.677 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000009684235 569560488 /nfs/dbraw/zinc/56/04/88/569560488.db2.gz AENVQDPNGUIGPG-UHFFFAOYSA-N 0 0 427.486 1.218 50 0 IDAARN CCCn1c(=O)n(C)c(=O)c2c1NC1=C(C(=O)OC1)[C@H]2c1ccc(OCC)c(OC)c1 ZINC000009704864 569561450 /nfs/dbraw/zinc/56/14/50/569561450.db2.gz KVDRUZVFECTRCB-MRXNPFEDSA-N 0 0 427.457 1.733 50 0 IDAARN O=C(NCC1CCN(c2cnccn2)CC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000070898809 569562029 /nfs/dbraw/zinc/56/20/29/569562029.db2.gz SGBKKEKHWGLJHU-UHFFFAOYSA-N 0 0 436.516 1.965 50 0 IDAARN O=C(CSc1nnnn1Cc1cccs1)N1CCN(C(=O)c2cccs2)CC1 ZINC000009711935 569562123 /nfs/dbraw/zinc/56/21/23/569562123.db2.gz RYBBSGDJVNCCLE-UHFFFAOYSA-N 0 0 434.572 1.921 50 0 IDAARN CCOC(=O)c1ccc(-n2c(C)cn3c2nc2c3c(=O)n([C@@H](C)C(C)=O)c(=O)n2C)cc1 ZINC000009713053 569562405 /nfs/dbraw/zinc/56/24/05/569562405.db2.gz WUHLDBXRKPDDMZ-ZDUSSCGKSA-N 0 0 437.456 1.774 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2cc(C)ccc2OC)n(C)c1=O ZINC000009713091 569562473 /nfs/dbraw/zinc/56/24/73/569562473.db2.gz XNTBLFKIVBZZOF-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN COc1ccc(OC)c(-n2c(C)c(C)n3c2nc2c3c(=O)n([C@H](C)C(C)=O)c(=O)n2C)c1 ZINC000009713140 569562479 /nfs/dbraw/zinc/56/24/79/569562479.db2.gz RVOAJEABAYNEEW-CYBMUJFWSA-N 0 0 439.472 1.923 50 0 IDAARN COC(=O)[C@@H](C)n1c(=O)c2c(nc3n2cc(C)n3-c2cc(OC)ccc2OC)n(C)c1=O ZINC000009713108 569562513 /nfs/dbraw/zinc/56/25/13/569562513.db2.gz BPQPMBKSEYXNHN-GFCCVEGCSA-N 0 0 441.444 1.198 50 0 IDAARN Cc1ccccc1-n1c(-c2ccccc2)cn2c1nc1c2c(=O)n(CC(N)=O)c(=O)n1C ZINC000009713218 569562544 /nfs/dbraw/zinc/56/25/44/569562544.db2.gz VLKSUSPIOYSUBW-UHFFFAOYSA-N 0 0 428.452 1.599 50 0 IDAARN C[C@@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1 ZINC000070902413 569562598 /nfs/dbraw/zinc/56/25/98/569562598.db2.gz RBAWIZZEUJJHAL-MRXNPFEDSA-N 0 0 430.530 1.476 50 0 IDAARN O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)Nc1ccccc1Cl ZINC000070902507 569562601 /nfs/dbraw/zinc/56/26/01/569562601.db2.gz UVHTXUGFBKBQDW-UHFFFAOYSA-N 0 0 436.921 1.891 50 0 IDAARN CN(C(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000009715507 569563086 /nfs/dbraw/zinc/56/30/86/569563086.db2.gz LHAQRUDUNUGAOD-GFCCVEGCSA-N 0 0 445.364 1.972 50 0 IDAARN Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000070924430 569563539 /nfs/dbraw/zinc/56/35/39/569563539.db2.gz RFBBFGVPVMGOMN-UHFFFAOYSA-N 0 0 427.523 1.908 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(C)c(F)c2)[C@@H](C)O)cc1 ZINC000009724082 569563638 /nfs/dbraw/zinc/56/36/38/569563638.db2.gz UGQDLTBVYMXFRK-KUHUBIRLSA-N 0 0 438.477 1.652 50 0 IDAARN O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 ZINC000009741522 569565244 /nfs/dbraw/zinc/56/52/44/569565244.db2.gz JFNUFGVWVBCUPG-RHSMWYFYSA-N 0 0 440.518 1.814 50 0 IDAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 ZINC000009741529 569565259 /nfs/dbraw/zinc/56/52/59/569565259.db2.gz JFNUFGVWVBCUPG-PBHICJAKSA-N 0 0 440.518 1.814 50 0 IDAARN COCCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000009745946 569565721 /nfs/dbraw/zinc/56/57/21/569565721.db2.gz RUFNBGXODWSJPR-SFHVURJKSA-N 0 0 439.578 1.424 50 0 IDAARN COc1cccc2sc(N(C)CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc21 ZINC000070973222 569565789 /nfs/dbraw/zinc/56/57/89/569565789.db2.gz YQXCZKUNGCJWMN-UHFFFAOYSA-N 0 0 434.543 1.747 50 0 IDAARN COc1ccc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cn1 ZINC000009779766 569567421 /nfs/dbraw/zinc/56/74/21/569567421.db2.gz DLOMSZGKFJLVKV-UHFFFAOYSA-N 0 0 446.485 1.811 50 0 IDAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000009779695 569567455 /nfs/dbraw/zinc/56/74/55/569567455.db2.gz AIFFOGYJHBWJJU-ZDUSSCGKSA-N 0 0 440.319 1.337 50 0 IDAARN COc1ccc(CN(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)C2CC2)cc1 ZINC000009783831 569567890 /nfs/dbraw/zinc/56/78/90/569567890.db2.gz ZTCZNCHEURQUGQ-UHFFFAOYSA-N 0 0 431.880 1.287 50 0 IDAARN Cc1ccc(C2=NN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[C@H](c3ccco3)C2)cc1 ZINC000009798441 569568569 /nfs/dbraw/zinc/56/85/69/569568569.db2.gz ZBRSDUCZGKIEHI-KRWDZBQOSA-N 0 0 446.467 1.713 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 ZINC000009806873 569568936 /nfs/dbraw/zinc/56/89/36/569568936.db2.gz HXDMJTCWKJMPLD-MRXNPFEDSA-N 0 0 449.504 1.420 50 0 IDAARN COC(=O)C1CCN(C(=O)c2cn(C)c3c2[nH]c(=O)n(-c2ccc(Cl)cc2)c3=O)CC1 ZINC000009820147 569569385 /nfs/dbraw/zinc/56/93/85/569569385.db2.gz JSNTZXGHJHPHOT-UHFFFAOYSA-N 0 0 444.875 1.696 50 0 IDAARN COCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009827553 569569677 /nfs/dbraw/zinc/56/96/77/569569677.db2.gz IUSWKZVJUMAZRI-UHFFFAOYSA-N 0 0 446.451 1.888 50 0 IDAARN C[C@@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc2NC1=O ZINC000009834475 569570545 /nfs/dbraw/zinc/57/05/45/569570545.db2.gz WNWNWKKXHLKRIG-AMXDTQDGSA-N 0 0 436.424 1.574 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2cc(OC)ccc2OC)c3=O)cc1 ZINC000009857661 569571651 /nfs/dbraw/zinc/57/16/51/569571651.db2.gz NBYTVYCBWJYIGH-UHFFFAOYSA-N 0 0 436.428 1.642 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)cc1 ZINC000009857452 569571667 /nfs/dbraw/zinc/57/16/67/569571667.db2.gz RMBCCDGACSOKGM-UHFFFAOYSA-N 0 0 436.403 1.601 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)cc1OC ZINC000009857493 569571669 /nfs/dbraw/zinc/57/16/69/569571669.db2.gz LWWCZGSQGUGIDM-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCO3)CC2)ccc1Br ZINC000009867003 569572209 /nfs/dbraw/zinc/57/22/09/569572209.db2.gz BPCCSXOGDQXMKJ-AWEZNQCLSA-N 0 0 446.367 1.952 50 0 IDAARN C[C@H]1C[C@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)O1 ZINC000009871019 569572370 /nfs/dbraw/zinc/57/23/70/569572370.db2.gz KMBMWDXHEFUZNW-FZMZJTMJSA-N 0 0 425.488 1.554 50 0 IDAARN Cn1c2ncn(CC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000009875881 569572620 /nfs/dbraw/zinc/57/26/20/569572620.db2.gz ZHYGNUXFVSVEGE-INIZCTEOSA-N 0 0 427.461 1.540 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1 ZINC000009960980 569575470 /nfs/dbraw/zinc/57/54/70/569575470.db2.gz ZAWFGLUSDLMPDC-UHFFFAOYSA-N 0 0 449.492 1.668 50 0 IDAARN Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)nc2n1 ZINC000009961736 569575660 /nfs/dbraw/zinc/57/56/60/569575660.db2.gz YODMFNURERUABM-UHFFFAOYSA-N 0 0 428.474 1.576 50 0 IDAARN Nn1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NCc1ccccc1 ZINC000009980959 569576473 /nfs/dbraw/zinc/57/64/73/569576473.db2.gz ZOMYEGIGIPQXTH-UHFFFAOYSA-N 0 0 430.465 1.828 50 0 IDAARN Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000009981455 569576514 /nfs/dbraw/zinc/57/65/14/569576514.db2.gz PWEZAMXIPIWRQJ-MRXNPFEDSA-N 0 0 431.489 1.874 50 0 IDAARN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(O)c1 ZINC000009984848 569576670 /nfs/dbraw/zinc/57/66/70/569576670.db2.gz NFIOZFJDMZRKCY-UHFFFAOYSA-N 0 0 433.486 1.539 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)nc1N ZINC000009987204 569576762 /nfs/dbraw/zinc/57/67/62/569576762.db2.gz PPSWWNUDDRGANC-GFCCVEGCSA-N 0 0 430.486 1.849 50 0 IDAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000010036296 569577472 /nfs/dbraw/zinc/57/74/72/569577472.db2.gz SRIIAFQTBPOWMZ-UHFFFAOYSA-N 0 0 425.919 1.795 50 0 IDAARN COc1ccc(Cl)cc1NCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010108893 569577914 /nfs/dbraw/zinc/57/79/14/569577914.db2.gz NNCBONNRTOLQKR-GFCCVEGCSA-N 0 0 445.911 1.965 50 0 IDAARN CCCN(C(=O)Cn1c(C)csc1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010109615 569577948 /nfs/dbraw/zinc/57/79/48/569577948.db2.gz SFBGPFCDVVZSGV-UHFFFAOYSA-N 0 0 429.502 1.142 50 0 IDAARN Cc1nc(C)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000010143681 569578133 /nfs/dbraw/zinc/57/81/33/569578133.db2.gz VOJHSSYBFBQZPD-UHFFFAOYSA-N 0 0 439.515 1.576 50 0 IDAARN O=S(=O)(c1ccc(Br)s1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000010213760 569579101 /nfs/dbraw/zinc/57/91/01/569579101.db2.gz DPHKWWOJLQPHRO-MNOVXSKESA-N 0 0 444.394 1.867 50 0 IDAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N1CCNC1=O ZINC000010215876 569579247 /nfs/dbraw/zinc/57/92/47/569579247.db2.gz NGTIBMQZUFTFFR-SFHVURJKSA-N 0 0 425.441 1.619 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n3C)n1CCOCCO ZINC000010233643 569579604 /nfs/dbraw/zinc/57/96/04/569579604.db2.gz TVRGUBGYNWBOMC-UHFFFAOYSA-N 0 0 445.907 1.477 50 0 IDAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccn2)CS(=O)(=O)C3)cc1 ZINC000010250505 569579778 /nfs/dbraw/zinc/57/97/78/569579778.db2.gz GVGQYANVXFBJPX-UHFFFAOYSA-N 0 0 425.470 1.259 50 0 IDAARN O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000010251349 569579820 /nfs/dbraw/zinc/57/98/20/569579820.db2.gz FCLWBCSDNSRKCF-AWEZNQCLSA-N 0 0 432.415 1.845 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2ccccc2OCC)n(C)c1=O ZINC000010271846 569580053 /nfs/dbraw/zinc/58/00/53/569580053.db2.gz TUVOQXUINSRMGQ-UHFFFAOYSA-N 0 0 425.445 1.409 50 0 IDAARN Cc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c(C)c1 ZINC000010271929 569580117 /nfs/dbraw/zinc/58/01/17/569580117.db2.gz NYOPZLDFGFZPRF-UHFFFAOYSA-N 0 0 442.479 1.908 50 0 IDAARN Cc1c(C)n(-c2ccc(C(F)(F)F)cc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n12 ZINC000010271915 569580150 /nfs/dbraw/zinc/58/01/50/569580150.db2.gz UONKRNBXAFAXRL-UHFFFAOYSA-N 0 0 434.378 1.260 50 0 IDAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(O)c(OC)c1 ZINC000010273363 569580244 /nfs/dbraw/zinc/58/02/44/569580244.db2.gz AYWVTOONSPCCTH-IBGZPJMESA-N 0 0 446.481 1.964 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000010282516 569580466 /nfs/dbraw/zinc/58/04/66/569580466.db2.gz DCSHLHVOLJPTBE-HNNXBMFYSA-N 0 0 443.529 1.297 50 0 IDAARN Cc1nn(C)c(C)c1CC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000010300122 569580662 /nfs/dbraw/zinc/58/06/62/569580662.db2.gz XTPJDOZSOMNPIM-UHFFFAOYSA-N 0 0 433.534 1.104 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000010386238 569581744 /nfs/dbraw/zinc/58/17/44/569581744.db2.gz CSYSNLFOGBBOKG-HNNXBMFYSA-N 0 0 439.472 1.387 50 0 IDAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC)cc1 ZINC000010445382 569582264 /nfs/dbraw/zinc/58/22/64/569582264.db2.gz NRZRAJCBAJUDHO-AWEZNQCLSA-N 0 0 433.486 1.903 50 0 IDAARN COC(=O)c1nc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)sc1CC(C)C ZINC000079493052 569583679 /nfs/dbraw/zinc/58/36/79/569583679.db2.gz KOJVAJYAPDTSSE-UHFFFAOYSA-N 0 0 430.486 2.538 50 0 IDAARN CCOC(=O)c1sc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)nc1C ZINC000079477433 569584338 /nfs/dbraw/zinc/58/43/38/569584338.db2.gz PUSLKWGZNIJGPT-GFCCVEGCSA-N 0 0 426.520 2.053 50 0 IDAARN CCc1sc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)nc1C(=O)OC ZINC000079494062 569584951 /nfs/dbraw/zinc/58/49/51/569584951.db2.gz FLYJQWVUKODPPW-LLVKDONJSA-N 0 0 426.520 1.917 50 0 IDAARN C[C@@H]1c2cc(NC(=O)C(=O)NC[C@@]3(O)CCOc4ccccc43)cc3c2N(CCC3)C1=O ZINC000077100025 569585270 /nfs/dbraw/zinc/58/52/70/569585270.db2.gz NDKUWWVRFZAQRT-SHACYNPGSA-N 0 0 435.480 1.808 50 0 IDAARN O=S(=O)(c1ccc(Br)cc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 ZINC000077100291 569585382 /nfs/dbraw/zinc/58/53/82/569585382.db2.gz KNCGRQDEJKLFIP-UHFFFAOYSA-N 0 0 449.334 1.936 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 ZINC000077101277 569585582 /nfs/dbraw/zinc/58/55/82/569585582.db2.gz OSDMGABUEHNUJI-UHFFFAOYSA-N 0 0 441.513 1.183 50 0 IDAARN CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@H](O)c3cccs3)cc21 ZINC000077115809 569585684 /nfs/dbraw/zinc/58/56/84/569585684.db2.gz FYZVGLJMOZIAIY-INIZCTEOSA-N 0 0 437.543 1.639 50 0 IDAARN COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000077197255 569586155 /nfs/dbraw/zinc/58/61/55/569586155.db2.gz SHDVZMNZMORQMT-KRWDZBQOSA-N 0 0 431.493 1.713 50 0 IDAARN CCOc1cccc2cc(C(=O)NCCn3nc(-n4nc(C)cc4C)ccc3=O)c(=O)oc21 ZINC000077196894 569586168 /nfs/dbraw/zinc/58/61/68/569586168.db2.gz LRHDVGCHJYOIDY-UHFFFAOYSA-N 0 0 449.467 1.981 50 0 IDAARN O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200874 569586540 /nfs/dbraw/zinc/58/65/40/569586540.db2.gz SJGKPQGRXXCKDP-FQEVSTJZSA-N 0 0 436.555 1.729 50 0 IDAARN C[C@](O)(CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1cccs1 ZINC000077200990 569586588 /nfs/dbraw/zinc/58/65/88/569586588.db2.gz JZYLGDZRQHJDHW-KRWDZBQOSA-N 0 0 430.573 1.864 50 0 IDAARN C[C@@H](NC(=O)CCc1ccc(Br)cc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000078497174 569586694 /nfs/dbraw/zinc/58/66/94/569586694.db2.gz RVOXGNXLCMNHBH-LLVKDONJSA-N 0 0 435.315 1.283 50 0 IDAARN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](C)O)CC3)n2)CC1 ZINC000034677799 569587556 /nfs/dbraw/zinc/58/75/56/569587556.db2.gz RAOSRGWIWIAUJV-IBGZPJMESA-N 0 0 441.576 1.698 50 0 IDAARN CCCCN1C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)N(CCCCl)C1=O ZINC000039931861 569588130 /nfs/dbraw/zinc/58/81/30/569588130.db2.gz BGNUCJJCPWMWSK-NTCAYCPXSA-N 0 0 442.925 1.850 50 0 IDAARN C[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccccc1)S(C)(=O)=O ZINC000000640229 193867469 /nfs/dbraw/zinc/86/74/69/193867469.db2.gz NASFEZHWBGURKL-MRXNPFEDSA-N 0 0 431.514 1.952 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2C)n(C)c1=O ZINC000006089406 193878666 /nfs/dbraw/zinc/87/86/66/193878666.db2.gz UCMNXXGTELJNEF-UHFFFAOYSA-N 0 0 431.880 1.963 50 0 IDAARN C[C@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cc2NC1=O ZINC000009834473 193901011 /nfs/dbraw/zinc/90/10/11/193901011.db2.gz WNWNWKKXHLKRIG-VERVWZFWSA-N 0 0 436.424 1.574 50 0 IDAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CCC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c1 ZINC000054361021 193931008 /nfs/dbraw/zinc/93/10/08/193931008.db2.gz KIWVNOHTHHVOLH-VKQKDJGISA-N 0 0 438.527 1.723 50 0 IDAARN O=C(c1coc(CN2CCN(c3ncccn3)CC2)n1)N1CCN(c2ccccc2)C(=O)C1 ZINC000055053616 193933172 /nfs/dbraw/zinc/93/31/72/193933172.db2.gz ORQXYIJORPESER-UHFFFAOYSA-N 0 0 447.499 1.276 50 0 IDAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)C3CC3)CC2)N1C(=O)c1cccc(OC)c1 ZINC000096275098 193951049 /nfs/dbraw/zinc/95/10/49/193951049.db2.gz GBSBJYLOSKEOMH-LJQANCHMSA-N 0 0 445.516 1.028 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000000730207 132230018 /nfs/dbraw/zinc/23/00/18/132230018.db2.gz RAGZYWBXUDPABB-UHFFFAOYSA-N 0 0 433.505 1.809 50 0 IDAARN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000009515053 132232328 /nfs/dbraw/zinc/23/23/28/132232328.db2.gz LPNVOVUZKVEVPR-UHFFFAOYSA-N 0 0 444.513 1.550 50 0 IDAARN NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000009379248 132233833 /nfs/dbraw/zinc/23/38/33/132233833.db2.gz ONDKAAJOIQQLEC-LJQANCHMSA-N 0 0 448.545 1.331 50 0 IDAARN Cc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000009569899 132235104 /nfs/dbraw/zinc/23/51/04/132235104.db2.gz SSGNEDXVONNZNS-UHFFFAOYSA-N 0 0 435.521 1.781 50 0 IDAARN O=C(COc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000009569907 132235117 /nfs/dbraw/zinc/23/51/17/132235117.db2.gz FKSLWMBSAUMKSB-UHFFFAOYSA-N 0 0 439.484 1.612 50 0 IDAARN Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000009570002 132235258 /nfs/dbraw/zinc/23/52/58/132235258.db2.gz WNOJVEDQKAQQCF-UHFFFAOYSA-N 0 0 435.521 1.781 50 0 IDAARN CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009570248 132235793 /nfs/dbraw/zinc/23/57/93/132235793.db2.gz MXTWZZBFNMDCMS-UHFFFAOYSA-N 0 0 431.558 1.896 50 0 IDAARN CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 ZINC000009850008 132241815 /nfs/dbraw/zinc/24/18/15/132241815.db2.gz XSWGTJQIBTXWPE-UHFFFAOYSA-N 0 0 443.895 1.856 50 0 IDAARN CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc21 ZINC000010221037 132243944 /nfs/dbraw/zinc/24/39/44/132243944.db2.gz DXPUGENXHNBIIS-UHFFFAOYSA-N 0 0 431.470 1.382 50 0 IDAARN COc1ccc2c(c1)C(=c1sc3n(c1=O)CN(c1ccc(C(C)=O)cc1)CN=3)C(=O)N2 ZINC000002254385 132250241 /nfs/dbraw/zinc/25/02/41/132250241.db2.gz UMRHDXBQXQPWGL-HNENSFHCSA-N 0 0 434.477 1.327 50 0 IDAARN COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000002380945 132253346 /nfs/dbraw/zinc/25/33/46/132253346.db2.gz GMCDNVSDZHKEPD-UHFFFAOYSA-N 0 0 434.514 1.930 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(c2c(=O)c(=O)c2N2CCN(c3ccccc3OC)CC2)C1 ZINC000004910962 132274576 /nfs/dbraw/zinc/27/45/76/132274576.db2.gz IFBOARVJGQBZFS-MRXNPFEDSA-N 0 0 427.501 1.397 50 0 IDAARN Nc1cc(=O)[nH]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 ZINC000006017134 132275706 /nfs/dbraw/zinc/27/57/06/132275706.db2.gz ZYDJQZXFLHTBAK-UHFFFAOYSA-N 0 0 429.424 1.938 50 0 IDAARN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)CC1 ZINC000006023695 132275728 /nfs/dbraw/zinc/27/57/28/132275728.db2.gz BMXCIHGNNALWPZ-CMDGGOBGSA-N 0 0 434.543 1.888 50 0 IDAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c[nH]cn4)C3)C[C@@H]2C)c1 ZINC000006494090 132277528 /nfs/dbraw/zinc/27/75/28/132277528.db2.gz MJYYBWMDSKMRBJ-ZWKOTPCHSA-N 0 0 431.562 1.856 50 0 IDAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)C1 ZINC000008608846 132287827 /nfs/dbraw/zinc/28/78/27/132287827.db2.gz LLYLLXGLARAANG-HNNXBMFYSA-N 0 0 430.548 1.580 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccccc1N1CCOCC1 ZINC000008708549 132291324 /nfs/dbraw/zinc/29/13/24/132291324.db2.gz FOGOQYWHSBPGAP-QHCPKHFHSA-N 0 0 436.468 1.692 50 0 IDAARN CCN1C[C@@H](CN(C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)Oc2ccccc21 ZINC000008711012 132291599 /nfs/dbraw/zinc/29/15/99/132291599.db2.gz WJECXRQWPZDFJL-WCCYLALTSA-N 0 0 443.548 1.738 50 0 IDAARN CCOC(=O)c1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 ZINC000008724517 132291954 /nfs/dbraw/zinc/29/19/54/132291954.db2.gz QMHZQRLPVCIKGT-AWEZNQCLSA-N 0 0 441.488 1.508 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=N2)cc1 ZINC000008758145 132293277 /nfs/dbraw/zinc/29/32/77/132293277.db2.gz BUIHEPKWFXYKHP-HXUWFJFHSA-N 0 0 434.500 1.650 50 0 IDAARN C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000009116810 132304018 /nfs/dbraw/zinc/30/40/18/132304018.db2.gz NAONFEYWUWHKCD-DOTOQJQBSA-N 0 0 435.546 1.891 50 0 IDAARN C[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4ncccn4)CC3)ccc2N1C(=O)C1CC1 ZINC000009117049 132304254 /nfs/dbraw/zinc/30/42/54/132304254.db2.gz VTZVLKUSKAXTGN-OAHLLOKOSA-N 0 0 427.530 1.675 50 0 IDAARN COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)N1CCOCC1 ZINC000009191372 132307974 /nfs/dbraw/zinc/30/79/74/132307974.db2.gz XVJJIPCFLAKPCL-UHFFFAOYSA-N 0 0 431.470 1.315 50 0 IDAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc21)NCc1ccccc1 ZINC000009211474 132309206 /nfs/dbraw/zinc/30/92/06/132309206.db2.gz ARZJMFDNDFTZJK-UHFFFAOYSA-N 0 0 443.525 1.949 50 0 IDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000009335717 132313961 /nfs/dbraw/zinc/31/39/61/132313961.db2.gz GBWPECBADIJYJR-GOSISDBHSA-N 0 0 440.500 1.658 50 0 IDAARN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3cccc(OC)c3)CC2)=[NH+][C@H]1c1ccco1 ZINC000009418413 132316248 /nfs/dbraw/zinc/31/62/48/132316248.db2.gz MIEAOWDLYIVPHW-MOPGFXCFSA-N 0 0 426.473 1.817 50 0 IDAARN Cn1ncc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(Cl)c1=O ZINC000009430477 132317082 /nfs/dbraw/zinc/31/70/82/132317082.db2.gz WBMQXBOPTJKFPH-UHFFFAOYSA-N 0 0 447.742 1.707 50 0 IDAARN Cn1c2nnc(CCCC(=O)N3CCN(c4ccccn4)CC3)n2c2ccsc2c1=O ZINC000009431304 132317194 /nfs/dbraw/zinc/31/71/94/132317194.db2.gz UJADVUWBMFEZRS-UHFFFAOYSA-N 0 0 437.529 1.709 50 0 IDAARN CC(C)CN1C(=O)NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000009448847 132317912 /nfs/dbraw/zinc/31/79/12/132317912.db2.gz SFSFCPFIULJWDS-WAIKUNEKSA-N 0 0 437.500 1.720 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(c2ccccn2)CC1 ZINC000009446879 132317934 /nfs/dbraw/zinc/31/79/34/132317934.db2.gz KQPBHEVGGXRURJ-MRXNPFEDSA-N 0 0 446.529 1.259 50 0 IDAARN O=C([C@H]1COc2ccccc2O1)N1CCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000009484880 132319061 /nfs/dbraw/zinc/31/90/61/132319061.db2.gz XSDCNZYNDHOGGL-FXAWDEMLSA-N 0 0 437.500 1.204 50 0 IDAARN O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000009484876 132319068 /nfs/dbraw/zinc/31/90/68/132319068.db2.gz XSDCNZYNDHOGGL-YLJYHZDGSA-N 0 0 437.500 1.204 50 0 IDAARN O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000009484878 132319086 /nfs/dbraw/zinc/31/90/86/132319086.db2.gz XSDCNZYNDHOGGL-XLIONFOSSA-N 0 0 437.500 1.204 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000009508378 132319826 /nfs/dbraw/zinc/31/98/26/132319826.db2.gz RIPBYLDKIUPARM-UHFFFAOYSA-N 0 0 447.469 1.263 50 0 IDAARN CN1c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2N2CCCC[C@@H]2C1=O ZINC000009528815 132320516 /nfs/dbraw/zinc/32/05/16/132320516.db2.gz FYQCLMATNCJMFZ-LJQANCHMSA-N 0 0 442.541 1.642 50 0 IDAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)CC1 ZINC000009561376 132321491 /nfs/dbraw/zinc/32/14/91/132321491.db2.gz JEEUAZXZGBRLLZ-UHFFFAOYSA-N 0 0 434.543 1.892 50 0 IDAARN O=C(Cn1c(=O)cnc2ccccc21)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009579956 132322212 /nfs/dbraw/zinc/32/22/12/132322212.db2.gz KEPFPYYBUJRTCT-HXUWFJFHSA-N 0 0 434.452 1.050 50 0 IDAARN O=C(Cn1c(=O)cnc2ccccc21)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000009579958 132322239 /nfs/dbraw/zinc/32/22/39/132322239.db2.gz KEPFPYYBUJRTCT-FQEVSTJZSA-N 0 0 434.452 1.050 50 0 IDAARN O=C(COCC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000009601645 132323041 /nfs/dbraw/zinc/32/30/41/132323041.db2.gz BWDMREGTXSGXAB-UHFFFAOYSA-N 0 0 440.519 1.840 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c(=O)n(C)c1=O ZINC000009675785 132325399 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CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCCOC(C)C ZINC000021022300 519638782 /nfs/dbraw/zinc/63/87/82/519638782.db2.gz QVZTYRXBKVXMJM-FQEVSTJZSA-N 0 0 437.562 1.680 50 0 IDAARN CC(=O)N[C@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000012406451 519701619 /nfs/dbraw/zinc/70/16/19/519701619.db2.gz QHNUAZWNAPSBQV-CRSSMBPESA-N 0 0 437.445 1.030 50 0 IDAARN CC(=O)N[C@H]1[C@H](n2nc(-c3ccc(C)cc3)n(C(C)C)c2=S)O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000035590902 519701783 /nfs/dbraw/zinc/70/17/83/519701783.db2.gz VNGSVSLXZFOYFJ-WAXPSYRMSA-N 0 0 436.534 1.087 50 0 IDAARN CC(=O)Nc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1C ZINC000065032004 519703592 /nfs/dbraw/zinc/70/35/92/519703592.db2.gz GVYWCJKHEVCWPC-UHFFFAOYSA-N 0 0 437.543 1.966 50 0 IDAARN CC(C)CN(C(=O)c1ccc(Cn2cncn2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000021894312 519707206 /nfs/dbraw/zinc/70/72/06/519707206.db2.gz HWZRKITYUPRQDS-UHFFFAOYSA-N 0 0 439.520 1.717 50 0 IDAARN CC(C)NC(=O)c1cn(CCN2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nn1 ZINC000020914628 519718346 /nfs/dbraw/zinc/71/83/46/519718346.db2.gz DMWWBXKGLQQNMO-UHFFFAOYSA-N 0 0 444.967 1.946 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000020866682 519730987 /nfs/dbraw/zinc/73/09/87/519730987.db2.gz FEXCGJQGNNLURQ-UHFFFAOYSA-N 0 0 445.497 1.594 50 0 IDAARN CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(=O)NCC(=O)N3)cc1 ZINC000021526259 519836950 /nfs/dbraw/zinc/83/69/50/519836950.db2.gz PRRXIHPKZQVPPC-UHFFFAOYSA-N 0 0 444.513 1.751 50 0 IDAARN CC(C)c1ccc(NC(=O)[C@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000012793182 519837631 /nfs/dbraw/zinc/83/76/31/519837631.db2.gz RIEOPNZANRDRLD-YOEHRIQHSA-N 0 0 449.529 1.846 50 0 IDAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC(C)C)c2=O)cc1 ZINC000035377795 519881979 /nfs/dbraw/zinc/88/19/79/519881979.db2.gz ARMSQQASWZGHGO-UHFFFAOYSA-N 0 0 436.512 1.746 50 0 IDAARN CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2cc(Cl)ccc2s1 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COC(=O)C1=C(CS(=O)(=O)c2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020858009 522889352 /nfs/dbraw/zinc/88/93/52/522889352.db2.gz YUWDJBXXUZBTFD-LJQANCHMSA-N 0 0 446.481 1.959 50 0 IDAARN COCc1c(C(=O)NCCNC(C)=O)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012218125 522898849 /nfs/dbraw/zinc/89/88/49/522898849.db2.gz PNLLPSQMSJQYBK-UHFFFAOYSA-N 0 0 434.500 1.830 50 0 IDAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000014680663 522908198 /nfs/dbraw/zinc/90/81/98/522908198.db2.gz DKSVSRCRGFUENE-UHFFFAOYSA-N 0 0 441.937 1.850 50 0 IDAARN COc1cc([C@@H](c2sc3ncnn3c2[O-])[NH+]2CCC(C(N)=O)CC2)cc(OC)c1OC ZINC000022609975 522914367 /nfs/dbraw/zinc/91/43/67/522914367.db2.gz IVFCISINEOTHNH-HNNXBMFYSA-N 0 0 447.517 1.809 50 0 IDAARN COC(=O)CCCCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000021970188 522989665 /nfs/dbraw/zinc/98/96/65/522989665.db2.gz GMDSEYQSNQHJDF-IBGZPJMESA-N 0 0 442.534 1.610 50 0 IDAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C)c3nc4ccccc4nc32)c1=O ZINC000022503322 523106409 /nfs/dbraw/zinc/10/64/09/523106409.db2.gz NYOJXMWUESVUBK-UHFFFAOYSA-N 0 0 430.468 1.609 50 0 IDAARN COc1ccc(-c2cc3c(=O)n(CC(=O)N4CCC5(CC4)OCCO5)nc(C)n3n2)cc1 ZINC000020901296 523119242 /nfs/dbraw/zinc/11/92/42/523119242.db2.gz RNWCXECBAQSCMW-UHFFFAOYSA-N 0 0 439.472 1.241 50 0 IDAARN COc1ccc(-c2cc3ccc(OCC(=O)N4CCNC(=O)C4)cc3oc2=O)cc1OC ZINC000012902666 523120784 /nfs/dbraw/zinc/12/07/84/523120784.db2.gz YCRIDKZQZYIWJZ-UHFFFAOYSA-N 0 0 438.436 1.814 50 0 biogenic IDAARN CCn1c(CN2CCN(c3ncccn3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023752063 523191432 /nfs/dbraw/zinc/19/14/32/523191432.db2.gz GYPPKTUSGQFMGA-UHFFFAOYSA-N 0 0 429.550 1.419 50 0 IDAARN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCc1nc(N)nc(N(C)C)n1 ZINC000012413697 523208525 /nfs/dbraw/zinc/20/85/25/523208525.db2.gz BXXOEQGOKQSEJI-UHFFFAOYSA-N 0 0 438.525 1.125 50 0 IDAARN COc1ccc(-c2nc(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)co2)cc1 ZINC000012774087 523210877 /nfs/dbraw/zinc/21/08/77/523210877.db2.gz JRKFPEZZZJSZPG-UHFFFAOYSA-N 0 0 429.458 1.974 50 0 IDAARN CCn1c2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)cc2[nH]c(=O)c1=O ZINC000023560700 523262745 /nfs/dbraw/zinc/26/27/45/523262745.db2.gz LTVJXXDRTWFDJI-FQEVSTJZSA-N 0 0 440.475 1.652 50 0 IDAARN CCn1c2ccccc2n(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)c(=O)c1=O ZINC000015787121 523280489 /nfs/dbraw/zinc/28/04/89/523280489.db2.gz SEHXFVHDZFWPSM-UHFFFAOYSA-N 0 0 427.457 1.525 50 0 IDAARN COCCCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000021942305 523325417 /nfs/dbraw/zinc/32/54/17/523325417.db2.gz QRGPGQGKSGYZDF-LJQANCHMSA-N 0 0 428.533 1.781 50 0 IDAARN COc1ccc(-n2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)n(C)c2=O)cc1 ZINC000035446220 523342286 /nfs/dbraw/zinc/34/22/86/523342286.db2.gz KGHIFIIRPFCGIG-UHFFFAOYSA-N 0 0 446.847 1.863 50 0 IDAARN CN(Cc1ccco1)C(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000035452354 523423874 /nfs/dbraw/zinc/42/38/74/523423874.db2.gz HJTYCUCMYIQZJS-UHFFFAOYSA-N 0 0 427.866 1.543 50 0 IDAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000012777000 523507293 /nfs/dbraw/zinc/50/72/93/523507293.db2.gz WPGNZDBLZJDOQA-UHFFFAOYSA-N 0 0 441.469 1.086 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)Nc1ccnn1C(C)C)c(=O)n2Cc1ccccc1 ZINC000012540161 523570656 /nfs/dbraw/zinc/57/06/56/523570656.db2.gz RWYACIWFVDTZOE-UHFFFAOYSA-N 0 0 435.488 1.844 50 0 IDAARN COC(=O)[C@@H](CSC[C@@H](NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1 ZINC000012862733 523592290 /nfs/dbraw/zinc/59/22/90/523592290.db2.gz OEFFFEWEQXAIFM-QZTJIDSGSA-N 0 0 444.509 1.663 50 0 biogenic IDAARN CC[C@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O ZINC000012516958 523603155 /nfs/dbraw/zinc/60/31/55/523603155.db2.gz FEYOJZLQSVQKAN-JTSKRJEESA-N 0 0 443.504 1.018 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NC1CCCC1 ZINC000035374122 523670257 /nfs/dbraw/zinc/67/02/57/523670257.db2.gz MZWCOMTVRDIIPY-UHFFFAOYSA-N 0 0 427.480 1.934 50 0 IDAARN CN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCN2C(=O)[C@@H]1Cc1ccccc1 ZINC000014753038 523726672 /nfs/dbraw/zinc/72/66/72/523726672.db2.gz SYCTWCITUWGTQR-RBUKOAKNSA-N 0 0 447.944 1.625 50 0 IDAARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1S(=O)(=O)N1CCCC1 ZINC000012851958 523772550 /nfs/dbraw/zinc/77/25/50/523772550.db2.gz UULPOEGXNKBFHK-CYBMUJFWSA-N 0 0 437.474 1.960 50 0 IDAARN COCCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2COC)(c2ccccc2OC)C1=O ZINC000014884929 523800397 /nfs/dbraw/zinc/80/03/97/523800397.db2.gz HZPWRVUWHTZVPI-UZUQRXQVSA-N 0 0 432.517 1.756 50 0 IDAARN CN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000012553412 523802233 /nfs/dbraw/zinc/80/22/33/523802233.db2.gz HJKSFCBMYVOBJN-LLVKDONJSA-N 0 0 429.292 1.081 50 0 IDAARN COC(=O)[C@H](C)[C@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)N1CCOCC1 ZINC000012383375 523891000 /nfs/dbraw/zinc/89/10/00/523891000.db2.gz BGMDJXVXRCLPGC-WKPIXPDZSA-N 0 0 426.263 1.736 50 0 IDAARN COCCNC(=O)CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000035446107 523894087 /nfs/dbraw/zinc/89/40/87/523894087.db2.gz PCGYVHPAKJKPMI-IBGZPJMESA-N 0 0 428.533 1.781 50 0 IDAARN COc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012922246 523901755 /nfs/dbraw/zinc/90/17/55/523901755.db2.gz IDPVBNITSVBVBM-UHFFFAOYSA-N 0 0 436.505 1.757 50 0 IDAARN COC(=O)[C@H](CSC[C@@H](NC(=O)c1ccccc1)C(=O)OC)NC(=O)c1ccccc1 ZINC000012862745 523908510 /nfs/dbraw/zinc/90/85/10/523908510.db2.gz OEFFFEWEQXAIFM-HDICACEKSA-N 0 0 444.509 1.663 50 0 biogenic IDAARN CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012630776 523936882 /nfs/dbraw/zinc/93/68/82/523936882.db2.gz XJTIXQLXFSHLBA-INIZCTEOSA-N 0 0 426.491 1.886 50 0 IDAARN COc1ccc(CCNC(=O)CSc2nnc(SCC(N)=O)s2)cc1OC ZINC000012935002 523960043 /nfs/dbraw/zinc/96/00/43/523960043.db2.gz YKKFPRBYEOARKV-UHFFFAOYSA-N 0 0 428.561 1.584 50 0 IDAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCCCC3)C2)c(OC)c1 ZINC000020511834 523966124 /nfs/dbraw/zinc/96/61/24/523966124.db2.gz YTPBBRCGZRDVCM-GOSISDBHSA-N 0 0 439.578 1.805 50 0 IDAARN CCc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000015935822 523976541 /nfs/dbraw/zinc/97/65/41/523976541.db2.gz FEJDNFJGJKXZSD-SSEXGKCCSA-N 0 0 426.502 1.859 50 0 IDAARN CN(C)C(=O)N1CCC(C(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)CC1 ZINC000040088478 524002996 /nfs/dbraw/zinc/00/29/96/524002996.db2.gz IHIBDIUZFJLKRM-HNNXBMFYSA-N 0 0 439.582 1.872 50 0 IDAARN CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000012895492 524006918 /nfs/dbraw/zinc/00/69/18/524006918.db2.gz CCRCDWNICUVYLS-IBGZPJMESA-N 0 0 447.557 1.094 50 0 IDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000012874007 524020422 /nfs/dbraw/zinc/02/04/22/524020422.db2.gz KWKFEPAZYTYSCC-GHCZAOPSSA-N 0 0 449.463 1.481 50 0 biogenic IDAARN CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000022851601 524039994 /nfs/dbraw/zinc/03/99/94/524039994.db2.gz QIBYDYMXVUFFOB-SFHVURJKSA-N 0 0 428.464 1.280 50 0 IDAARN COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000020287682 524044796 /nfs/dbraw/zinc/04/47/96/524044796.db2.gz WNDHZNNGXGSQGJ-OXQOHEQNSA-N 0 0 430.574 1.866 50 0 IDAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)cc1 ZINC000035452578 524049762 /nfs/dbraw/zinc/04/97/62/524049762.db2.gz AIWIQYIVPQLZIU-AWEZNQCLSA-N 0 0 447.513 1.660 50 0 IDAARN CNC(=O)C1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012334646 524049985 /nfs/dbraw/zinc/04/99/85/524049985.db2.gz HQLVRWDPRGEPKC-CYBMUJFWSA-N 0 0 428.455 1.949 50 0 IDAARN COc1ccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000012693954 524063940 /nfs/dbraw/zinc/06/39/40/524063940.db2.gz NKSMFZRVQZOVIL-SFHVURJKSA-N 0 0 431.558 1.848 50 0 IDAARN COc1ccc(CNC(=O)c2ccc(OC)c(CN3CC(=O)N4CCC[C@H]4C3=O)c2)cc1 ZINC000021527347 524066575 /nfs/dbraw/zinc/06/65/75/524066575.db2.gz ILOAOQWDHHCTBW-FQEVSTJZSA-N 0 0 437.496 1.967 50 0 IDAARN C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 ZINC000022916902 524089539 /nfs/dbraw/zinc/08/95/39/524089539.db2.gz VBEWWWCEQXBAIN-MOPGFXCFSA-N 0 0 441.576 1.769 50 0 IDAARN COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)Nc4ccc(F)cc4)CN3C2=O)cc1 ZINC000014535230 524142687 /nfs/dbraw/zinc/14/26/87/524142687.db2.gz ZPIPNLKQJDLSLU-WDSOQIARSA-N 0 0 426.448 1.666 50 0 IDAARN COc1cccc([C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2nccn2C)c1 ZINC000012628657 524161754 /nfs/dbraw/zinc/16/17/54/524161754.db2.gz PWVDLYYIDNURDH-KRWDZBQOSA-N 0 0 427.486 1.132 50 0 IDAARN Cc1cccc(C(=O)NCCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000012868585 524192520 /nfs/dbraw/zinc/19/25/20/524192520.db2.gz ZWBQFFWXHFCGHC-UHFFFAOYSA-N 0 0 431.514 1.775 50 0 IDAARN C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012746395 524194426 /nfs/dbraw/zinc/19/44/26/524194426.db2.gz JUKDBWRKTNOOKE-OXJNMPFZSA-N 0 0 429.542 1.780 50 0 IDAARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022798960 524288912 /nfs/dbraw/zinc/28/89/12/524288912.db2.gz FWCNBJGQFLVLRI-AWEZNQCLSA-N 0 0 449.621 1.585 50 0 IDAARN COc1ccc(N(C[C@@H](O)C[NH2+][C@H](C)C(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000035590778 524366603 /nfs/dbraw/zinc/36/66/03/524366603.db2.gz XIJYLMXKGISIIK-CJNGLKHVSA-N 0 0 442.921 1.968 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000021529031 524389868 /nfs/dbraw/zinc/38/98/68/524389868.db2.gz GRQSHCXXPCZDSS-JOCHJYFZSA-N 0 0 445.541 1.687 50 0 IDAARN COc1ccccc1CCNC(=O)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 ZINC000012080703 524412016 /nfs/dbraw/zinc/41/20/16/524412016.db2.gz XJUFXGSLAXAEOT-LJQANCHMSA-N 0 0 445.903 1.622 50 0 IDAARN Cc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528770 524429583 /nfs/dbraw/zinc/42/95/83/524429583.db2.gz MHNWYBMZNYIQPH-QFIPXVFZSA-N 0 0 429.542 1.674 50 0 IDAARN C[C@H]1CCc2c(sc3c2-c2ncnn2-c2nnc(SCC(=O)N4CCOCC4)n2-3)C1 ZINC000013805759 524436857 /nfs/dbraw/zinc/43/68/57/524436857.db2.gz GVNXTXGTZUZAQP-NSHDSACASA-N 0 0 443.558 1.966 50 0 IDAARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCN(Cc3ccccn3)CC2)o1 ZINC000012308963 524462790 /nfs/dbraw/zinc/46/27/90/524462790.db2.gz VCAYAHWHYOBAIJ-OAQYLSRUSA-N 0 0 425.533 1.408 50 0 IDAARN COc1ccccc1CNC(=O)CNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C ZINC000021782296 524462936 /nfs/dbraw/zinc/46/29/36/524462936.db2.gz ANEJJJDBMNYCIG-DEOSSOPVSA-N 0 0 434.496 1.927 50 0 IDAARN COc1ccccc1CNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000035375653 524468055 /nfs/dbraw/zinc/46/80/55/524468055.db2.gz KGZWQKWMUMQRQK-UHFFFAOYSA-N 0 0 433.512 1.895 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012140184 524490511 /nfs/dbraw/zinc/49/05/11/524490511.db2.gz IJNVYGFTWAYUSL-FQEVSTJZSA-N 0 0 445.541 1.473 50 0 IDAARN COc1ccc(NC(=O)COc2cc(CSc3nnnn3C)ncc2OC)cc1OC ZINC000015824239 524501528 /nfs/dbraw/zinc/50/15/28/524501528.db2.gz VZMBNXOBWHSNAO-UHFFFAOYSA-N 0 0 446.489 1.941 50 0 IDAARN Cc1cccc(N(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccccc2)c1 ZINC000000864194 524525597 /nfs/dbraw/zinc/52/55/97/524525597.db2.gz YBYVSYKPGPTCIQ-QGZVFWFLSA-N 0 0 431.514 1.882 50 0 IDAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCc3ccccc3)n2)CC1 ZINC000035375466 524563316 /nfs/dbraw/zinc/56/33/16/524563316.db2.gz SWABOZZLQHLMPI-UHFFFAOYSA-N 0 0 433.512 1.895 50 0 IDAARN COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)[C@H]2COc3ccccc3O2)CC1=O ZINC000020744717 524579810 /nfs/dbraw/zinc/57/98/10/524579810.db2.gz KPPBOEUHMYQDKK-MGPUTAFESA-N 0 0 439.468 1.121 50 0 IDAARN COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614190 524583301 /nfs/dbraw/zinc/58/33/01/524583301.db2.gz LCQDGJRPYHYQBQ-KRWDZBQOSA-N 0 0 427.457 1.552 50 0 IDAARN C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)C[C@H](C)O1 ZINC000020503620 524647207 /nfs/dbraw/zinc/64/72/07/524647207.db2.gz LUMWJJMBXPLGOI-IRXDYDNUSA-N 0 0 425.533 1.676 50 0 IDAARN C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000020548247 524649268 /nfs/dbraw/zinc/64/92/68/524649268.db2.gz BJTOWIKGLXDSPI-RYUDHWBXSA-N 0 0 435.887 1.873 50 0 IDAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000012808327 524673568 /nfs/dbraw/zinc/67/35/68/524673568.db2.gz ZKWXCSPFXQWQKO-GOSISDBHSA-N 0 0 431.514 1.822 50 0 IDAARN COc1ccccc1OC[C@H](O)CN1CCN(C[C@H](O)COc2ccccc2OC)CC1 ZINC000022810606 524683970 /nfs/dbraw/zinc/68/39/70/524683970.db2.gz SBVOXBJBJCUZFP-BGYRXZFFSA-N 0 0 446.544 1.501 50 0 IDAARN Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)on1 ZINC000022252585 524697468 /nfs/dbraw/zinc/69/74/68/524697468.db2.gz LJUYMADPPPMMPQ-KRWDZBQOSA-N 0 0 449.577 1.687 50 0 IDAARN Cc1cccc(OCCNC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c1 ZINC000021628186 524745219 /nfs/dbraw/zinc/74/52/19/524745219.db2.gz FYKVFSBKTVZBRD-HNNXBMFYSA-N 0 0 438.575 1.388 50 0 IDAARN COc1ccc(OC)c(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 ZINC000020758497 524798499 /nfs/dbraw/zinc/79/84/99/524798499.db2.gz TVKUUVFZYVNBMY-GOSISDBHSA-N 0 0 425.445 1.994 50 0 biogenic IDAARN COc1ccc(OC)c(C(=O)COC(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000022226382 524805139 /nfs/dbraw/zinc/80/51/39/524805139.db2.gz UDBBYZXPWLBAHO-UHFFFAOYSA-N 0 0 427.457 1.840 50 0 IDAARN Cc1ccc(F)cc1NC(=O)Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O ZINC000035425681 524860019 /nfs/dbraw/zinc/86/00/19/524860019.db2.gz UGCGDSOSNHVZPE-UHFFFAOYSA-N 0 0 436.447 1.967 50 0 IDAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCN1C(=O)c3ccccc3C1=O)C2=O ZINC000021868856 524863855 /nfs/dbraw/zinc/86/38/55/524863855.db2.gz VVLIJCRJZPBREI-DMZKTXOQSA-N 0 0 427.457 1.920 50 0 IDAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3c(c1)C(=O)N(C)C3=O)C2=O ZINC000024020868 524864106 /nfs/dbraw/zinc/86/41/06/524864106.db2.gz IPOLQQKTYIWBGT-IPQOISQHSA-N 0 0 426.473 1.988 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C=O)CC2)c1 ZINC000012901503 524875523 /nfs/dbraw/zinc/87/55/23/524875523.db2.gz IYQAULXNLXKKRY-UHFFFAOYSA-N 0 0 448.497 1.428 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cn4ccc(C)cc4n3)CC2)c1 ZINC000009889942 524876526 /nfs/dbraw/zinc/87/65/26/524876526.db2.gz CFXMOLSGXZXAAD-UHFFFAOYSA-N 0 0 444.513 1.807 50 0 IDAARN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)C1 ZINC000022132284 524877883 /nfs/dbraw/zinc/87/78/83/524877883.db2.gz DGNFQPUWYDAUAC-PMACEKPBSA-N 0 0 439.604 1.949 50 0 IDAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000012865048 524886752 /nfs/dbraw/zinc/88/67/52/524886752.db2.gz IZSVJILAPNDIHA-GJZGRUSLSA-N 0 0 435.999 1.869 50 0 IDAARN COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CN2CCN(C(C)=O)CC2)cc1=O ZINC000022698510 524888607 /nfs/dbraw/zinc/88/86/07/524888607.db2.gz JMBHHCYZWUZOLC-UHFFFAOYSA-N 0 0 426.517 1.777 50 0 IDAARN COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O ZINC000022698577 524888668 /nfs/dbraw/zinc/88/86/68/524888668.db2.gz HQTQYEVSYNWHDM-UHFFFAOYSA-N 0 0 432.908 1.813 50 0 IDAARN COc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000012445077 524932304 /nfs/dbraw/zinc/93/23/04/524932304.db2.gz FRJMIZLSQBJHDI-UHFFFAOYSA-N 0 0 447.557 1.651 50 0 IDAARN COc1ccc(OCCN2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000021382153 524954986 /nfs/dbraw/zinc/95/49/86/524954986.db2.gz YYPCQEFMBQYBKP-UHFFFAOYSA-N 0 0 433.455 1.926 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1 ZINC000012407718 524978190 /nfs/dbraw/zinc/97/81/90/524978190.db2.gz NVUFUKWFEQNBDM-IBGZPJMESA-N 0 0 440.544 1.310 50 0 IDAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccco3)ccc2N1C(=O)C1CC1 ZINC000020529883 524982496 /nfs/dbraw/zinc/98/24/96/524982496.db2.gz IMMINQWXCBZPRD-AWEZNQCLSA-N 0 0 431.514 1.952 50 0 IDAARN Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(Br)c1 ZINC000012914431 525022187 /nfs/dbraw/zinc/02/21/87/525022187.db2.gz VIBJLDFISDQSEN-LLVKDONJSA-N 0 0 428.308 1.862 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1CCC[C@H]1C(N)=O ZINC000012802198 525027038 /nfs/dbraw/zinc/02/70/38/525027038.db2.gz PHVXSDXKTMHYDF-KRWDZBQOSA-N 0 0 438.550 1.148 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O[C@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000034890541 525029451 /nfs/dbraw/zinc/02/94/51/525029451.db2.gz HRBPMHDJFSGOPA-APWZRJJASA-N 0 0 432.498 1.866 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000012529903 525030722 /nfs/dbraw/zinc/03/07/22/525030722.db2.gz BJTOWIKGLXDSPI-TXEJJXNPSA-N 0 0 435.887 1.873 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)CC2)cc1 ZINC000023053435 525035823 /nfs/dbraw/zinc/03/58/23/525035823.db2.gz HSBSAWJASSSERF-JOCHJYFZSA-N 0 0 444.509 1.700 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NCCc3cccs3)CC2)cc1 ZINC000035306208 525039000 /nfs/dbraw/zinc/03/90/00/525039000.db2.gz ILVABWJOEBDAEE-MRXNPFEDSA-N 0 0 437.587 1.810 50 0 IDAARN Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000016035699 525048880 /nfs/dbraw/zinc/04/88/80/525048880.db2.gz ZHCSIBLDPZYQBH-UHFFFAOYSA-N 0 0 436.534 1.829 50 0 IDAARN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCNC(=O)c2ccccc2)cc1 ZINC000012821158 525070036 /nfs/dbraw/zinc/07/00/36/525070036.db2.gz LTLBYJAMCYAHOU-FQEVSTJZSA-N 0 0 447.557 1.934 50 0 IDAARN COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 ZINC000021011356 525089737 /nfs/dbraw/zinc/08/97/37/525089737.db2.gz HYISNGVBTSSSPS-UHFFFAOYSA-N 0 0 447.502 1.362 50 0 IDAARN Cc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1F ZINC000035425675 525108016 /nfs/dbraw/zinc/10/80/16/525108016.db2.gz LVZCNPNTXRXXLT-UHFFFAOYSA-N 0 0 436.447 1.967 50 0 IDAARN Cc1cc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)ccc1N1CCCC1 ZINC000241367998 525123016 /nfs/dbraw/zinc/12/30/16/525123016.db2.gz MJEMYWQKLIODEE-ILZDJORESA-N 0 0 434.562 1.941 50 0 IDAARN Cc1ccccc1CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021528842 525132493 /nfs/dbraw/zinc/13/24/93/525132493.db2.gz IAYNIVACIKLBIX-QFIPXVFZSA-N 0 0 429.542 1.674 50 0 IDAARN Cc1cc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)no1 ZINC000012538804 525147305 /nfs/dbraw/zinc/14/73/05/525147305.db2.gz QYAWZXHUCMFYRN-UHFFFAOYSA-N 0 0 449.533 1.655 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000020744476 525172207 /nfs/dbraw/zinc/17/22/07/525172207.db2.gz RUGSBRHBLNQMNG-UHFFFAOYSA-N 0 0 429.542 1.796 50 0 IDAARN COc1ccc([C@@H](CNC(=O)CCn2cnc3ccccc3c2=O)N2CCOCC2)cc1 ZINC000014899903 525181688 /nfs/dbraw/zinc/18/16/88/525181688.db2.gz KHYCOTZVQDYSRO-JOCHJYFZSA-N 0 0 436.512 1.985 50 0 IDAARN COc1ccc([C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2nccn2C)cc1 ZINC000012506903 525193487 /nfs/dbraw/zinc/19/34/87/525193487.db2.gz FIKZQDHKTVXKMS-GOSISDBHSA-N 0 0 427.486 1.132 50 0 IDAARN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000040062162 525207153 /nfs/dbraw/zinc/20/71/53/525207153.db2.gz HYIBAHMJFAFRAA-NSHDSACASA-N 0 0 432.340 1.108 50 0 IDAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CN(S(C)(=O)=O)CC(=O)N1c1cccc(F)c1 ZINC000021528961 525210787 /nfs/dbraw/zinc/21/07/87/525210787.db2.gz NOHJGYSDMJAWOZ-HXUWFJFHSA-N 0 0 437.468 1.648 50 0 IDAARN Cc1cc(NC(=O)[C@@H](OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2ccccc2)no1 ZINC000012909729 525214380 /nfs/dbraw/zinc/21/43/80/525214380.db2.gz QFNCEENAMWEDRK-SFHVURJKSA-N 0 0 442.453 1.704 50 0 IDAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)ccc1Br ZINC000020511016 525216217 /nfs/dbraw/zinc/21/62/17/525216217.db2.gz QBDLXGGOYJKEIY-CQSZACIVSA-N 0 0 446.367 1.985 50 0 IDAARN Cc1ccccc1OCC(=O)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012422805 525278700 /nfs/dbraw/zinc/27/87/00/525278700.db2.gz IFZCOLRSUDVQRO-UHFFFAOYSA-N 0 0 431.558 1.638 50 0 IDAARN C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O ZINC000012802610 525320388 /nfs/dbraw/zinc/32/03/88/525320388.db2.gz IEOUPEPMXNMYRS-HXUWFJFHSA-N 0 0 434.391 1.819 50 0 IDAARN Cc1ccccc1[C@@H](OC[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000012535237 525377477 /nfs/dbraw/zinc/37/74/77/525377477.db2.gz GMDDPZXFZRNDNK-NQIIRXRSSA-N 0 0 434.496 1.909 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)cc1 ZINC000021020449 525522047 /nfs/dbraw/zinc/52/20/47/525522047.db2.gz XBUMFSPOEXXOEX-UHFFFAOYSA-N 0 0 442.541 1.414 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4n(C)c3=O)CC2)c(C)c1 ZINC000012774753 525539465 /nfs/dbraw/zinc/53/94/65/525539465.db2.gz TWXYRUPPSYDGRE-UHFFFAOYSA-N 0 0 442.541 1.490 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000021604201 525558557 /nfs/dbraw/zinc/55/85/57/525558557.db2.gz PTECKZRNEFZCFY-INMHGKMJSA-N 0 0 426.535 1.274 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc3c(c1)OCCO3)OCC(=O)N2 ZINC000035452090 525612167 /nfs/dbraw/zinc/61/21/67/525612167.db2.gz ZDWKJLZHBANHIQ-UHFFFAOYSA-N 0 0 447.469 1.356 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc3ccco3)C1)OCC(=O)N2 ZINC000035378966 525613250 /nfs/dbraw/zinc/61/32/50/525613250.db2.gz SAGLTSDQEGOQTR-HNNXBMFYSA-N 0 0 447.513 1.978 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)Nc3nccs3)CC1)OCC(=O)N2 ZINC000033072328 525613501 /nfs/dbraw/zinc/61/35/01/525613501.db2.gz XMLJRMCMLLYEBZ-UHFFFAOYSA-N 0 0 436.515 1.822 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccco3)C1)OCC(=O)N2 ZINC000035378780 525615692 /nfs/dbraw/zinc/61/56/92/525615692.db2.gz KGTLNSDSWRQCLY-AWEZNQCLSA-N 0 0 433.486 1.636 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccccc3)CC1)n(C)c(=O)c(=O)n2C ZINC000020557956 525616626 /nfs/dbraw/zinc/61/66/26/525616626.db2.gz LMSHBDIQOISOSY-UHFFFAOYSA-N 0 0 442.541 1.052 50 0 IDAARN C[C@@H]1[C@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000012417207 525714386 /nfs/dbraw/zinc/71/43/86/525714386.db2.gz JMCAFHDDCDQCDJ-AUUYWEPGSA-N 0 0 429.498 1.388 50 0 IDAARN Cc1ccc(-c2nnn(CC(=O)OCC(=O)NC(=O)NCCc3cccs3)n2)cc1 ZINC000021629608 525867795 /nfs/dbraw/zinc/86/77/95/525867795.db2.gz XXWVRXZINNAUMS-UHFFFAOYSA-N 0 0 428.474 1.322 50 0 IDAARN Cc1ccc(-c2nnn(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)cc1 ZINC000012472920 525868348 /nfs/dbraw/zinc/86/83/48/525868348.db2.gz RCNMZFPDIJCSDQ-UHFFFAOYSA-N 0 0 429.502 1.748 50 0 IDAARN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000022357422 525878044 /nfs/dbraw/zinc/87/80/44/525878044.db2.gz PCSYJHPJXBMLFY-FZMZJTMJSA-N 0 0 441.893 1.376 50 0 IDAARN C[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012804125 525896357 /nfs/dbraw/zinc/89/63/57/525896357.db2.gz HDZVPERNHQPUSW-GFCCVEGCSA-N 0 0 444.469 1.357 50 0 IDAARN C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(C(=O)c3cc(F)ccc3F)CCN2C1=O ZINC000014732743 525913530 /nfs/dbraw/zinc/91/35/30/525913530.db2.gz ZIQXEEBWPDLICC-XMCHAPAWSA-N 0 0 443.450 1.722 50 0 IDAARN COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cccc(F)c2)c1OC ZINC000012715451 525948419 /nfs/dbraw/zinc/94/84/19/525948419.db2.gz LNZRHLGMYZBOFD-IBGZPJMESA-N 0 0 429.492 1.892 50 0 IDAARN Cc1ccc(C=CC(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)o1 ZINC000012858300 525954156 /nfs/dbraw/zinc/95/41/56/525954156.db2.gz WQGAJWPLYZWZFY-ZHACJKMWSA-N 0 0 438.440 1.288 50 0 IDAARN COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)CCn3cncn3)CC2=O)c1 ZINC000014535374 525957287 /nfs/dbraw/zinc/95/72/87/525957287.db2.gz XFWMXKMUOKSFET-HXUWFJFHSA-N 0 0 427.505 1.343 50 0 IDAARN COc1cccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 ZINC000020614118 525961160 /nfs/dbraw/zinc/96/11/60/525961160.db2.gz NTBXWMCEJRRKMQ-IBGZPJMESA-N 0 0 441.484 1.230 50 0 IDAARN Cc1c2cc(S(=O)(=O)N3CCCCC3)ccc2oc1C(=O)NCCN1CCOCC1 ZINC000020683266 525961313 /nfs/dbraw/zinc/96/13/13/525961313.db2.gz WIZCTNKBCRUZRD-UHFFFAOYSA-N 0 0 435.546 1.978 50 0 IDAARN Cc1ccc(C(=O)CCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000021423069 526042092 /nfs/dbraw/zinc/04/20/92/526042092.db2.gz XCIPMZKEVIXSBR-UHFFFAOYSA-N 0 0 438.527 1.569 50 0 IDAARN COc1cccc(CO[C@H]2CN(C(=O)CCn3cncn3)CC(=O)N(CC(C)C)C2)c1 ZINC000020997016 526058594 /nfs/dbraw/zinc/05/85/94/526058594.db2.gz FVTMVMHDNFWOSO-HXUWFJFHSA-N 0 0 429.521 1.589 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)nn1C ZINC000012443140 526060248 /nfs/dbraw/zinc/06/02/48/526060248.db2.gz KLLNQGQIJCAQKS-GFCCVEGCSA-N 0 0 436.519 1.879 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IDAARN Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(C3CCCCC3)nc2n(C)c1=O ZINC000020604991 527025019 /nfs/dbraw/zinc/02/50/19/527025019.db2.gz SJDAWJQSOURFOR-AWEZNQCLSA-N 0 0 447.561 1.462 50 0 IDAARN Cn1c(N)c(N2CCCCC2)c(=O)n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=O ZINC000012854875 527073712 /nfs/dbraw/zinc/07/37/12/527073712.db2.gz XWNRDIZCMJNABE-ZDUSSCGKSA-N 0 0 443.331 1.866 50 0 IDAARN O=C(CSc1nnnn1-c1ccccc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012549084 527094435 /nfs/dbraw/zinc/09/44/35/527094435.db2.gz YDZLKNCFFSJVCZ-SFHVURJKSA-N 0 0 443.554 1.970 50 0 IDAARN Cn1c2cc(NC(=O)c3ccc(Cl)cc3)c(N3CCOCC3)cc2n(C)c(=O)c1=O ZINC000021154549 527095274 /nfs/dbraw/zinc/09/52/74/527095274.db2.gz STIYOAIDJPISMM-UHFFFAOYSA-N 0 0 428.876 1.980 50 0 IDAARN Cn1c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2n(C)c1=O ZINC000021524866 527102146 /nfs/dbraw/zinc/10/21/46/527102146.db2.gz KKJUSNMEJWPXKF-ZDUSSCGKSA-N 0 0 434.543 1.978 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)c2c(=O)n(C)c1=O ZINC000016606140 527124557 /nfs/dbraw/zinc/12/45/57/527124557.db2.gz VLYKICJOPDZIFS-UHFFFAOYSA-N 0 0 438.488 1.135 50 0 IDAARN O=C1c2ccccc2C(=O)N1CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000022884031 527129735 /nfs/dbraw/zinc/12/97/35/527129735.db2.gz HVKVPNFAQHPXDD-UHFFFAOYSA-N 0 0 433.511 1.491 50 0 IDAARN O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@H](O)COCc2ccccc2Cl)n1 ZINC000012811804 527131802 /nfs/dbraw/zinc/13/18/02/527131802.db2.gz ADZQCYDMQJUQFI-HNNXBMFYSA-N 0 0 441.875 1.743 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000020726953 527138086 /nfs/dbraw/zinc/13/80/86/527138086.db2.gz IFXGTZMCUSNQNR-AWEZNQCLSA-N 0 0 425.397 1.636 50 0 IDAARN Cn1cc(/C=C/C(=O)NCCSCc2ccc(Br)s2)c(=O)n(C)c1=O ZINC000012911303 527143803 /nfs/dbraw/zinc/14/38/03/527143803.db2.gz QXMWEVJGAMEWSI-ZZXKWVIFSA-N 0 0 444.376 1.971 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCc1nnc(-c2ccccc2)[nH]1 ZINC000012480433 527151338 /nfs/dbraw/zinc/15/13/38/527151338.db2.gz IFUWGYOIFUNZRZ-FQEVSTJZSA-N 0 0 432.528 1.911 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527407775 /nfs/dbraw/zinc/40/77/75/527407775.db2.gz JUCPKJKOXMYUGJ-CQSZACIVSA-N 0 0 432.502 1.027 50 0 IDAARN O=C(Cn1nc2ccc(S(=O)(=O)c3ccccc3)nn2c1=O)Nc1ccc(F)cc1 ZINC000033261724 527419596 /nfs/dbraw/zinc/41/95/96/527419596.db2.gz VMAMAVKHKOYVGN-UHFFFAOYSA-N 0 0 427.417 1.502 50 0 IDAARN O=C(NC1CCCC1)c1ccccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012753831 527511615 /nfs/dbraw/zinc/51/16/15/527511615.db2.gz JCYSSAZPROHCAW-HNNXBMFYSA-N 0 0 446.529 1.463 50 0 IDAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccc(OCC(N)=O)c1)CC(=O)N2 ZINC000021726643 527532657 /nfs/dbraw/zinc/53/26/57/527532657.db2.gz JOKBSUMRTJJKQP-HNNXBMFYSA-N 0 0 432.444 1.265 50 0 IDAARN Cn1nc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c2c1CCN(C(=O)C1CCCC1)C2 ZINC000035527149 527540699 /nfs/dbraw/zinc/54/06/99/527540699.db2.gz DYVZXWYFVIZKKO-MRXNPFEDSA-N 0 0 427.549 1.626 50 0 IDAARN O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000032983212 527619875 /nfs/dbraw/zinc/61/98/75/527619875.db2.gz 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CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(OC)c2)n(C)c1=O ZINC000009518974 535762182 /nfs/dbraw/zinc/76/21/82/535762182.db2.gz VSGCIPTZGRUSKM-ZDUSSCGKSA-N 0 0 427.461 1.256 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000009519210 535762504 /nfs/dbraw/zinc/76/25/04/535762504.db2.gz IOWFSJUCVHEJNW-UHFFFAOYSA-N 0 0 443.460 1.019 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O ZINC000013776697 535762712 /nfs/dbraw/zinc/76/27/12/535762712.db2.gz RYOURFHFWKVPNV-HNNXBMFYSA-N 0 0 425.489 1.864 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O ZINC000009292816 535762722 /nfs/dbraw/zinc/76/27/22/535762722.db2.gz LTPJTHXITUXLBB-GFCCVEGCSA-N 0 0 431.880 1.901 50 0 IDAARN CCn1nnc2c1ncnc2N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000013533521 535919561 /nfs/dbraw/zinc/91/95/61/535919561.db2.gz ZTFMVOFIDZOZHN-CQSZACIVSA-N 0 0 438.467 1.082 50 0 IDAARN CN1C(=O)N(C)C(=O)C2(Cc3c(=O)n4ccccc4nc3N(C)[C@H]2c2ccccc2)C1=O 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Cc1nc(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000010525615 555561881 /nfs/dbraw/zinc/56/18/81/555561881.db2.gz OUIVYXKZHYXDQE-JSGCOSHPSA-N 0 0 435.550 1.230 50 0 IDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1OC ZINC000000900063 555580842 /nfs/dbraw/zinc/58/08/42/555580842.db2.gz HFEKSEZWDJWAMK-UHFFFAOYSA-N 0 0 447.513 1.809 50 0 IDAARN COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1 ZINC000000900069 555580853 /nfs/dbraw/zinc/58/08/53/555580853.db2.gz LBJJKFNFBLKDHE-UHFFFAOYSA-N 0 0 447.513 1.809 50 0 IDAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000000899985 555580917 /nfs/dbraw/zinc/58/09/17/555580917.db2.gz QOCUGTGZUFXOOY-UHFFFAOYSA-N 0 0 438.477 1.998 50 0 IDAARN Cc1c(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)sc2nc3n(c(=O)c12)CCC3 ZINC000009594787 555592545 /nfs/dbraw/zinc/59/25/45/555592545.db2.gz GDKAKZXSSBZQPI-UHFFFAOYSA-N 0 0 439.453 1.678 50 0 IDAARN COc1cc(OC)cc(C(=O)NN2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2CC(N)=O)c1 ZINC000001069042 555619945 /nfs/dbraw/zinc/61/99/45/555619945.db2.gz VQUFNKGACGKXPI-MRXNPFEDSA-N 0 0 430.392 1.201 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 ZINC000001069597 555620219 /nfs/dbraw/zinc/62/02/19/555620219.db2.gz XRGXXKICJHFCDA-UHFFFAOYSA-N 0 0 444.579 1.072 50 0 IDAARN COc1cc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc(Br)c1OC(C)=O ZINC000001135545 555646875 /nfs/dbraw/zinc/64/68/75/555646875.db2.gz YOXDZOIXMFYWRJ-SDQBBNPISA-N 0 0 438.259 1.064 50 0 IDAARN COc1ccccc1N(C[C@H](O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccccc1 ZINC000001213001 555682714 /nfs/dbraw/zinc/68/27/14/555682714.db2.gz DYXCDYJNUAKKIV-OAHLLOKOSA-N 0 0 447.513 1.582 50 0 IDAARN O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1I ZINC000001444530 555698490 /nfs/dbraw/zinc/69/84/90/555698490.db2.gz OUSABBPUBGMKAI-UHFFFAOYSA-N 0 0 446.270 1.997 50 0 IDAARN COC(=O)c1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(C(=O)OC)c1 ZINC000001788277 555715690 /nfs/dbraw/zinc/71/56/90/555715690.db2.gz XMTRGZVINUZCED-UHFFFAOYSA-N 0 0 427.442 1.966 50 0 IDAARN CCOC(=O)[C@@](NNS(=O)(=O)c1ccc(C)cc1)(NC(=O)CC(C)C)C(F)(F)F ZINC000002050552 555728971 /nfs/dbraw/zinc/72/89/71/555728971.db2.gz NUPJFDXGJGNUHN-INIZCTEOSA-N 0 0 439.456 1.762 50 0 IDAARN COCCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002347378 555770894 /nfs/dbraw/zinc/77/08/94/555770894.db2.gz GSEWPGJRDKBOOP-UHFFFAOYSA-N 0 0 425.533 1.535 50 0 IDAARN Cc1nnc(SCCn2c(N3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000002355546 555771504 /nfs/dbraw/zinc/77/15/04/555771504.db2.gz WOUXDIFUJDHOAK-RYUDHWBXSA-N 0 0 449.606 1.868 50 0 IDAARN CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(O)c(OC)c1 ZINC000002504040 555784752 /nfs/dbraw/zinc/78/47/52/555784752.db2.gz UPGQFRBVQZRMBV-HZMBPMFUSA-N 0 0 448.497 1.970 50 0 IDAARN NC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000002586479 555788887 /nfs/dbraw/zinc/78/88/87/555788887.db2.gz PUNIMNOHZOCEHS-UHFFFAOYSA-N 0 0 441.560 1.542 50 0 IDAARN CN1CCN(c2nc(N3CCCC3)nc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1 ZINC000034676855 555794926 /nfs/dbraw/zinc/79/49/26/555794926.db2.gz DKOSHDPBBWIAKV-UHFFFAOYSA-N 0 0 442.589 1.576 50 0 IDAARN CC(C)CN(C[C@H]1CN(C[C@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(F)c1 ZINC000034691538 555804644 /nfs/dbraw/zinc/80/46/44/555804644.db2.gz VCYVURNTRAITMQ-FGZHOGPDSA-N 0 0 437.556 1.318 50 0 IDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002777232 555818424 /nfs/dbraw/zinc/81/84/24/555818424.db2.gz SIBWRXCIEALYPT-RPXHZFJKSA-N 0 0 438.509 1.459 50 0 IDAARN COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000002830619 555832080 /nfs/dbraw/zinc/83/20/80/555832080.db2.gz DSMPCMBIVOMULP-POHAHGRESA-N 0 0 432.239 1.570 50 0 IDAARN Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1 ZINC000002850655 555839007 /nfs/dbraw/zinc/83/90/07/555839007.db2.gz OFUGEOMFDDUAOY-UHFFFAOYSA-N 0 0 428.869 1.925 50 0 IDAARN COc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C(=O)N3)cc1 ZINC000002863664 555846452 /nfs/dbraw/zinc/84/64/52/555846452.db2.gz 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O=C(NCCCN1CCOCC1)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O ZINC000034811112 555908790 /nfs/dbraw/zinc/90/87/90/555908790.db2.gz DDQLSTMCRUFYID-UHFFFAOYSA-N 0 0 431.924 1.645 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000034861218 555924903 /nfs/dbraw/zinc/92/49/03/555924903.db2.gz BMWGTLBVDFGIJA-NUJGCVRESA-N 0 0 437.562 1.966 50 0 IDAARN COCCNC(=O)Cn1c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2oc1=O ZINC000005055060 556030216 /nfs/dbraw/zinc/03/02/16/556030216.db2.gz JWRKPWMNDQIKOL-KBPBESRZSA-N 0 0 425.507 1.024 50 0 IDAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCCO)c(=O)n2C)c(OC)c1 ZINC000002222517 556059749 /nfs/dbraw/zinc/05/97/49/556059749.db2.gz WPVCLMKPISXODX-UHFFFAOYSA-N 0 0 427.461 1.155 50 0 IDAARN Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000006552861 556094214 /nfs/dbraw/zinc/09/42/14/556094214.db2.gz ZNUYOWWKFPGCCF-UHFFFAOYSA-N 0 0 444.561 1.411 50 0 aggregator IDAARN CC(C)c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]1 ZINC000002626031 556114729 /nfs/dbraw/zinc/11/47/29/556114729.db2.gz RNTUGUVSAQBILX-UHFFFAOYSA-N 0 0 425.536 1.680 50 0 IDAARN CC(C)OCCCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002688993 556119661 /nfs/dbraw/zinc/11/96/61/556119661.db2.gz HUNLWHQDAYOPJH-SJORKVTESA-N 0 0 425.576 1.841 50 0 IDAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002730141 556134310 /nfs/dbraw/zinc/13/43/10/556134310.db2.gz CSWYLUFLJOAPLM-UHFFFAOYSA-N 0 0 428.557 1.445 50 0 IDAARN Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)ccc12 ZINC000002806611 556146416 /nfs/dbraw/zinc/14/64/16/556146416.db2.gz IKDXPCIXOCPART-CQSZACIVSA-N 0 0 430.486 1.874 50 0 IDAARN CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000008219451 556153098 /nfs/dbraw/zinc/15/30/98/556153098.db2.gz VPMXFGZPBGJWNX-OAHLLOKOSA-N 0 0 425.551 1.977 50 0 IDAARN O=C(NC[C@@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F)C(=O)NC1CCCCC1 ZINC000003027674 556157684 /nfs/dbraw/zinc/15/76/84/556157684.db2.gz DQOPFGXKQHAYOJ-KRWDZBQOSA-N 0 0 445.488 1.267 50 0 IDAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000003027772 556157700 /nfs/dbraw/zinc/15/77/00/556157700.db2.gz YNABVXCGEOWXDK-INIZCTEOSA-N 0 0 441.575 1.608 50 0 IDAARN COC(=O)C1=C(C(=O)OC)[C@H]2C=CC=C(c3ccccc3)N2C(C(=O)OC)=C1C(=O)OC ZINC000008387007 556162397 /nfs/dbraw/zinc/16/23/97/556162397.db2.gz YMDHZJVASUXZFI-OAHLLOKOSA-N 0 0 439.420 1.524 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003066321 556187273 /nfs/dbraw/zinc/18/72/73/556187273.db2.gz AJWACSICDGPONH-QZTJIDSGSA-N 0 0 428.553 1.717 50 0 IDAARN COc1ccc(CNC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1 ZINC000008587800 556188256 /nfs/dbraw/zinc/18/82/56/556188256.db2.gz MMZLAMYCGCMSEC-UHFFFAOYSA-N 0 0 445.497 1.892 50 0 IDAARN CCC(=O)N[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl ZINC000008690333 556200204 /nfs/dbraw/zinc/20/02/04/556200204.db2.gz FHQZNPSCHRBBFD-SNVBAGLBSA-N 0 0 433.770 1.843 50 0 IDAARN CCC(=O)N[C@@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl ZINC000008690334 556200211 /nfs/dbraw/zinc/20/02/11/556200211.db2.gz FHQZNPSCHRBBFD-JTQLQIEISA-N 0 0 433.770 1.843 50 0 IDAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O ZINC000010601782 556200535 /nfs/dbraw/zinc/20/05/35/556200535.db2.gz UUOWXKCWCLQQDI-UHFFFAOYSA-N 0 0 431.367 1.868 50 0 IDAARN Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000008745711 556209049 /nfs/dbraw/zinc/20/90/49/556209049.db2.gz SJJGTZQXRVAXTP-AWEZNQCLSA-N 0 0 446.558 1.458 50 0 IDAARN Cc1ccc(NC(=S)N2CCN(c3nc4c([nH]3)n(C)c(=O)n(C)c4=O)CC2)c(C)c1 ZINC000008775169 556213962 /nfs/dbraw/zinc/21/39/62/556213962.db2.gz PBGSIIIQUBQSQC-UHFFFAOYSA-N 0 0 427.534 1.096 50 0 IDAARN COC(=O)c1ccccc1NC(=O)C1=CC(c2ccc(OC)cc2)=NS(=O)(=O)N1C ZINC000009290016 556273782 /nfs/dbraw/zinc/27/37/82/556273782.db2.gz ILMFFGJXEZWOLK-UHFFFAOYSA-N 0 0 429.454 1.984 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)occ3C(C)(C)C ZINC000009306845 556276873 /nfs/dbraw/zinc/27/68/73/556276873.db2.gz XKXWPWPPCOORKR-IAGOWNOFSA-N 0 0 447.509 1.962 50 0 IDAARN Cc1nn(C)cc1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1Cc2ccccc2C1 ZINC000013690438 556279777 /nfs/dbraw/zinc/27/97/77/556279777.db2.gz AOKJBZDWQZHYGL-UHFFFAOYSA-N 0 0 431.496 1.881 50 0 IDAARN CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000013691957 556281417 /nfs/dbraw/zinc/28/14/17/556281417.db2.gz HLFAHLKVGSIOAQ-LJQANCHMSA-N 0 0 429.542 1.862 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000009355936 556285036 /nfs/dbraw/zinc/28/50/36/556285036.db2.gz VCIRVTJQPNZIIS-GPINWOSQSA-N 0 0 439.342 1.971 50 0 IDAARN CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000009434237 556291580 /nfs/dbraw/zinc/29/15/80/556291580.db2.gz KAMHJXCOJJSPGJ-UHFFFAOYSA-N 0 0 437.331 1.541 50 0 IDAARN CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000013731508 556295793 /nfs/dbraw/zinc/29/57/93/556295793.db2.gz HIGHFYZONSDZFF-HNNXBMFYSA-N 0 0 435.506 1.323 50 0 IDAARN Cc1cc(-n2c(C)cc(C(=O)Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)c2C)no1 ZINC000009546835 556297640 /nfs/dbraw/zinc/29/76/40/556297640.db2.gz DRWIIQAPKLHRTA-UHFFFAOYSA-N 0 0 430.852 1.674 50 0 IDAARN Cc1csc(=O)n1CCCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000032741803 556303631 /nfs/dbraw/zinc/30/36/31/556303631.db2.gz KRZNIAHSXXRTMY-UHFFFAOYSA-N 0 0 441.531 1.431 50 0 IDAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000032744538 556304652 /nfs/dbraw/zinc/30/46/52/556304652.db2.gz SHRCXJBDTXQNTF-UHFFFAOYSA-N 0 0 441.513 1.724 50 0 IDAARN C[C@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C(=O)O1 ZINC000032736515 556306577 /nfs/dbraw/zinc/30/65/77/556306577.db2.gz ANQUOSHHTMNJCN-SCLBCKFNSA-N 0 0 439.486 1.496 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccc(=O)[nH]c1 ZINC000013778506 556307733 /nfs/dbraw/zinc/30/77/33/556307733.db2.gz MOOAWQMWKINOLO-UHFFFAOYSA-N 0 0 433.486 1.653 50 0 IDAARN COCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)cc2OC)n(C)c1=O ZINC000009829490 556309607 /nfs/dbraw/zinc/30/96/07/556309607.db2.gz WKTPZOCYCGKNAO-UHFFFAOYSA-N 0 0 427.461 1.419 50 0 IDAARN COCCCNC(=O)Cn1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2oc1=O ZINC000009830849 556311914 /nfs/dbraw/zinc/31/19/14/556311914.db2.gz NCOLQLFPIVNENP-HUUCEWRRSA-N 0 0 439.534 1.414 50 0 IDAARN CCOc1ccc(OC[C@H](O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)cc1 ZINC000032751190 556313089 /nfs/dbraw/zinc/31/30/89/556313089.db2.gz UZEHGMNLJJAIRN-KBPBESRZSA-N 0 0 427.548 1.648 50 0 IDAARN NS(=O)(=O)c1ccc(OCCOC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000032745260 556315108 /nfs/dbraw/zinc/31/51/08/556315108.db2.gz WGIGCEGPXZKRJX-UHFFFAOYSA-N 0 0 435.454 1.690 50 0 IDAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1ccc2c(c1)OCCCO2 ZINC000032747320 556315916 /nfs/dbraw/zinc/31/59/16/556315916.db2.gz ISTAFHLDULEBLG-CYBMUJFWSA-N 0 0 444.465 1.701 50 0 IDAARN Cc1ccc(C)c(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)c1 ZINC000013856380 556320995 /nfs/dbraw/zinc/32/09/95/556320995.db2.gz GUPAFTGGQARCTH-UHFFFAOYSA-N 0 0 431.558 1.947 50 0 IDAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)CCOc1ccccc1 ZINC000032753338 556322575 /nfs/dbraw/zinc/32/25/75/556322575.db2.gz DNONBAVDDYYTET-UHFFFAOYSA-N 0 0 434.562 1.952 50 0 IDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000032557340 556336301 /nfs/dbraw/zinc/33/63/01/556336301.db2.gz MRQMCGAEHOAQDK-OAHLLOKOSA-N 0 0 444.484 1.863 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC ZINC000013950004 556344140 /nfs/dbraw/zinc/34/41/40/556344140.db2.gz RUFVJHLORVSADF-UHFFFAOYSA-N 0 0 432.545 1.461 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000032780674 556345973 /nfs/dbraw/zinc/34/59/73/556345973.db2.gz JINXFUKNXMPJEC-UWVGGRQHSA-N 0 0 429.347 1.306 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000032780672 556345979 /nfs/dbraw/zinc/34/59/79/556345979.db2.gz 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CCN(CC)C(=O)CN1CCCN(C(=O)CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000032826983 556411443 /nfs/dbraw/zinc/41/14/43/556411443.db2.gz IINLUKLLVSERAZ-UHFFFAOYSA-N 0 0 438.572 1.901 50 0 IDAARN CC(C)N(C(=O)Cn1c2cnn([C@@H]3CCS(=O)(=O)C3)c2cnc1=O)c1ccccc1 ZINC000032642193 556412220 /nfs/dbraw/zinc/41/22/20/556412220.db2.gz PLGVNTDPGJAPMR-MRXNPFEDSA-N 0 0 429.502 1.394 50 0 IDAARN COc1ccc([C@@H](CNC(=O)CCn2ncc(=O)c3ccccc32)N2CCOCC2)cc1 ZINC000032820499 556412421 /nfs/dbraw/zinc/41/24/21/556412421.db2.gz HLBRTSFYLDHZBP-JOCHJYFZSA-N 0 0 436.512 1.985 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000032820665 556412433 /nfs/dbraw/zinc/41/24/33/556412433.db2.gz YLFIDOCUEXFBLX-CQSZACIVSA-N 0 0 446.504 1.999 50 0 IDAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(OC)c1OC ZINC000012937718 556416485 /nfs/dbraw/zinc/41/64/85/556416485.db2.gz DMPRVADVLFNZAT-UHFFFAOYSA-N 0 0 449.529 1.901 50 0 IDAARN CC(C)(C)n1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012971839 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/nfs/dbraw/zinc/50/31/56/556503156.db2.gz FTSHRNWZTJLOIK-UHFFFAOYSA-N 0 0 434.905 1.832 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CC(=O)Nc4ccccc43)CC2)s1 ZINC000015098472 556503438 /nfs/dbraw/zinc/50/34/38/556503438.db2.gz YTGHLVCWCLRLHG-OAHLLOKOSA-N 0 0 448.570 1.737 50 0 IDAARN Cn1ccnc1[C@H](NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccc(Cl)cc1 ZINC000032881944 556508510 /nfs/dbraw/zinc/50/85/10/556508510.db2.gz LPRUVGXNBJCGLA-QGZVFWFLSA-N 0 0 425.880 1.813 50 0 IDAARN CCCNC(=O)COC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000072294517 556509053 /nfs/dbraw/zinc/50/90/53/556509053.db2.gz BOUDYKGBUOZPRI-UHFFFAOYSA-N 0 0 430.318 1.775 50 0 IDAARN CCOc1ccc(N2C[C@@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000013517710 556511479 /nfs/dbraw/zinc/51/14/79/556511479.db2.gz GDWCODHXHNODCL-INIZCTEOSA-N 0 0 431.514 1.445 50 0 IDAARN CNS(=O)(=O)c1ccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 ZINC000032895126 556514662 /nfs/dbraw/zinc/51/46/62/556514662.db2.gz QDJJGLMBDIHYLZ-UHFFFAOYSA-N 0 0 442.423 1.849 50 0 IDAARN COC(=O)c1cccc(OCCNS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1 ZINC000030952821 556517876 /nfs/dbraw/zinc/51/78/76/556517876.db2.gz DYFOXKQPMMISEZ-UHFFFAOYSA-N 0 0 440.861 1.815 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)c1 ZINC000013566067 556518983 /nfs/dbraw/zinc/51/89/83/556518983.db2.gz XCFOBRRIACEQTI-OAHLLOKOSA-N 0 0 447.513 1.842 50 0 IDAARN CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1cc(C(F)(F)F)ccc1Cl ZINC000013566578 556519556 /nfs/dbraw/zinc/51/95/56/556519556.db2.gz OSTNUWKDJCBUKM-UHFFFAOYSA-N 0 0 443.875 1.573 50 0 IDAARN COc1ccc(C)cc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(C)(=O)=O ZINC000013566744 556519738 /nfs/dbraw/zinc/51/97/38/556519738.db2.gz OCULTYBKVYSOEP-UHFFFAOYSA-N 0 0 432.502 1.599 50 0 IDAARN CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(C)(=O)=O ZINC000013566664 556519820 /nfs/dbraw/zinc/51/98/20/556519820.db2.gz KKDBGESOPXPSJV-UHFFFAOYSA-N 0 0 432.502 1.680 50 0 IDAARN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)N1CCNC1=O ZINC000015319022 556519891 /nfs/dbraw/zinc/51/98/91/556519891.db2.gz KGTWDOLUGOGLRS-UHFFFAOYSA-N 0 0 425.555 1.527 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccccc1OC ZINC000013568810 556521295 /nfs/dbraw/zinc/52/12/95/556521295.db2.gz CWHNNKQYEWQIQX-UHFFFAOYSA-N 0 0 436.486 1.742 50 0 IDAARN Cn1c2nc(OC(=O)c3ccccc3)n(C[C@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000003109206 556521834 /nfs/dbraw/zinc/52/18/34/556521834.db2.gz BTWRODCEWHDSGT-HNNXBMFYSA-N 0 0 436.424 1.082 50 0 IDAARN CCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015330511 556521969 /nfs/dbraw/zinc/52/19/69/556521969.db2.gz BYOYIYQGNLDEEU-UHFFFAOYSA-N 0 0 443.525 1.874 50 0 IDAARN O=C([C@@H](c1cccc(F)c1)N1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000072296598 556522123 /nfs/dbraw/zinc/52/21/23/556522123.db2.gz CJFVKEVHTUZQMR-HXUWFJFHSA-N 0 0 448.520 1.127 50 0 IDAARN CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000072300958 556524137 /nfs/dbraw/zinc/52/41/37/556524137.db2.gz CRKDBJSCTDINCF-PMPSAXMXSA-N 0 0 426.535 1.802 50 0 IDAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(S(C)(=O)=O)CC1)C[C@@H](C)CC2 ZINC000015400896 556524268 /nfs/dbraw/zinc/52/42/68/556524268.db2.gz QMRWDQSOCFHNOF-ZDUSSCGKSA-N 0 0 443.591 1.565 50 0 IDAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000013574013 556524421 /nfs/dbraw/zinc/52/44/21/556524421.db2.gz OPNZIEVNEBUACP-PLUMWTSRSA-N 0 0 436.306 1.349 50 0 IDAARN Cc1cc(C)n(C[C@H](C)CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 ZINC000072301580 556525169 /nfs/dbraw/zinc/52/51/69/556525169.db2.gz AFZQCQPMBUTQSC-ACJLOTCBSA-N 0 0 425.489 1.183 50 0 IDAARN O=c1c2c(nc3sc(SCCN4CCOCC4)nn31)CCN(C[C@@H]1CCCO1)C2 ZINC000015414112 556526395 /nfs/dbraw/zinc/52/63/95/556526395.db2.gz OXIMROOXNIFNIS-AWEZNQCLSA-N 0 0 437.591 1.112 50 0 IDAARN CNC(=O)Nc1cccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 ZINC000015415545 556526908 /nfs/dbraw/zinc/52/69/08/556526908.db2.gz CEPONMZLWLCCDN-KRWDZBQOSA-N 0 0 437.460 1.728 50 0 biogenic IDAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000032900301 556529144 /nfs/dbraw/zinc/52/91/44/556529144.db2.gz UYHOVPVLLVPYFP-NRFANRHFSA-N 0 0 425.533 1.965 50 0 IDAARN Cc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000013601359 556532673 /nfs/dbraw/zinc/53/26/73/556532673.db2.gz OLHUJENEXXJPSZ-UHFFFAOYSA-N 0 0 444.557 1.365 50 0 IDAARN Nc1nnc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)s1 ZINC000015525408 556533216 /nfs/dbraw/zinc/53/32/16/556533216.db2.gz FAXGIIKZXBLFIK-UHFFFAOYSA-N 0 0 439.588 1.976 50 0 IDAARN COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(C)C ZINC000013624564 556536734 /nfs/dbraw/zinc/53/67/34/556536734.db2.gz SOVAMZYDBNWLGE-DOMZBBRYSA-N 0 0 440.547 1.406 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCCO ZINC000013629911 556538868 /nfs/dbraw/zinc/53/88/68/556538868.db2.gz JZCLDWOWLRZGSV-YJYMSZOUSA-N 0 0 431.489 1.393 50 0 IDAARN CCn1cc(C(=O)NCC(=O)N2CCCC[C@H]2CCO)c(=O)c2cc3c(cc21)OCO3 ZINC000013630119 556539202 /nfs/dbraw/zinc/53/92/02/556539202.db2.gz HZQJKDIZVXGOJS-AWEZNQCLSA-N 0 0 429.473 1.243 50 0 IDAARN CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)N1CCOCC1 ZINC000032579295 556541339 /nfs/dbraw/zinc/54/13/39/556541339.db2.gz DTDGVDHNILCHNU-UHFFFAOYSA-N 0 0 449.533 1.196 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000015699252 556543955 /nfs/dbraw/zinc/54/39/55/556543955.db2.gz SVLDYMIJLYRXJM-UHFFFAOYSA-N 0 0 435.889 1.781 50 0 IDAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(c2ncccn2)CC1 ZINC000015700851 556544214 /nfs/dbraw/zinc/54/42/14/556544214.db2.gz LAQIEGNEEPTDDG-QGZVFWFLSA-N 0 0 429.546 1.686 50 0 IDAARN COC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)ccc1F ZINC000032906456 556552399 /nfs/dbraw/zinc/55/23/99/556552399.db2.gz VXQJIPMXLJAOAW-UHFFFAOYSA-N 0 0 437.449 1.349 50 0 IDAARN CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCS1 ZINC000072305285 556553439 /nfs/dbraw/zinc/55/34/39/556553439.db2.gz GNLLWXJLTHKOGU-SFHVURJKSA-N 0 0 439.603 1.550 50 0 IDAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1S(N)(=O)=O ZINC000015817306 556553648 /nfs/dbraw/zinc/55/36/48/556553648.db2.gz AGMFNNVHMZFOLO-UHFFFAOYSA-N 0 0 428.470 1.530 50 0 IDAARN CCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000015868908 556559720 /nfs/dbraw/zinc/55/97/20/556559720.db2.gz CBWCUHXLVPFFEJ-UHFFFAOYSA-N 0 0 443.635 1.980 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 ZINC000015905629 556562549 /nfs/dbraw/zinc/56/25/49/556562549.db2.gz ITXKVGIWOFZDGB-MTXNFPGFSA-N 0 0 440.496 1.783 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@@H]13)O2 ZINC000015905356 556562553 /nfs/dbraw/zinc/56/25/53/556562553.db2.gz ZBDPUCXJZDSDJN-JPAWQOSXSA-N 0 0 431.920 1.465 50 0 IDAARN COC(=O)[C@@H]1C[C@@H](O)[C@@H](N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1 ZINC000072309039 556568755 /nfs/dbraw/zinc/56/87/55/556568755.db2.gz ANSXJSKGSIRSQD-VBNZEHGJSA-N 0 0 447.351 1.068 50 0 IDAARN CC(=O)OC[C@H]1O[C@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000034175393 556571384 /nfs/dbraw/zinc/57/13/84/556571384.db2.gz XDMACMMTPGFUCZ-ADAARDCZSA-N 0 0 438.429 1.286 50 0 IDAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016013086 556574416 /nfs/dbraw/zinc/57/44/16/556574416.db2.gz HJZSLJCUWMONSV-KANGHSEISA-N 0 0 438.871 1.136 50 0 IDAARN CC(C)OCCOC[C@@H](O)CN(C)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000072309670 556574699 /nfs/dbraw/zinc/57/46/99/556574699.db2.gz LBVYXYLZYRBHRB-SFHVURJKSA-N 0 0 425.530 1.208 50 0 IDAARN C[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc2nsnc21)C(=O)NC1CC1 ZINC000032910222 556574825 /nfs/dbraw/zinc/57/48/25/556574825.db2.gz PYKRWKSLYDUHCX-SMDDNHRTSA-N 0 0 438.531 1.445 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)OC3CN(C(=O)OC(C)(C)C)C3)CC2)cn1C ZINC000072310653 556576386 /nfs/dbraw/zinc/57/63/86/556576386.db2.gz RRZREMBNFQKSFA-UHFFFAOYSA-N 0 0 442.538 1.292 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H]4[C@@H](C(F)(F)F)[C@H]43)cc2)CC1 ZINC000072310022 556577615 /nfs/dbraw/zinc/57/76/15/556577615.db2.gz AOTLZFKNAGUPTO-BBWFWOEESA-N 0 0 445.463 1.562 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032912720 556592092 /nfs/dbraw/zinc/59/20/92/556592092.db2.gz JXYKRESUSZAOIM-XJKSGUPXSA-N 0 0 428.532 1.020 50 0 IDAARN O=C(CN1CCC[C@H]1c1ccccn1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000072311929 556593622 /nfs/dbraw/zinc/59/36/22/556593622.db2.gz PKKAKMZIQUPEFM-FQEVSTJZSA-N 0 0 430.530 1.878 50 0 IDAARN COc1cc(C(=O)N2CCC(CC(=O)NCCN3CCOCC3)CC2)cc(OC)c1OC ZINC000032974284 556596516 /nfs/dbraw/zinc/59/65/16/556596516.db2.gz FCELUFMROSQPJB-UHFFFAOYSA-N 0 0 449.548 1.403 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000016448423 556608673 /nfs/dbraw/zinc/60/86/73/556608673.db2.gz LUOLYKBLRRPEAM-JKSUJKDBSA-N 0 0 428.876 1.941 50 0 IDAARN O=C(COc1ccc(Br)cc1)N1CCN(CCNC(=O)c2ccncc2)CC1 ZINC000016475151 556610383 /nfs/dbraw/zinc/61/03/83/556610383.db2.gz DJOHQCWXXFDHJJ-UHFFFAOYSA-N 0 0 447.333 1.797 50 0 IDAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(C)cn2)c1C(=O)N1CCCC1 ZINC000032996374 556611854 /nfs/dbraw/zinc/61/18/54/556611854.db2.gz BBAIMUMOYYTKJL-UHFFFAOYSA-N 0 0 433.534 1.878 50 0 IDAARN Cn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)nnc1SCC(=O)N1CCOCC1 ZINC000016489013 556612042 /nfs/dbraw/zinc/61/20/42/556612042.db2.gz BIPHKADJLIUURX-UHFFFAOYSA-N 0 0 443.451 1.966 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C ZINC000016525328 556614058 /nfs/dbraw/zinc/61/40/58/556614058.db2.gz HUNBVAXILMBJPJ-UHFFFAOYSA-N 0 0 437.493 1.746 50 0 IDAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(=O)[nH]c1 ZINC000016678074 556622873 /nfs/dbraw/zinc/62/28/73/556622873.db2.gz LEZBYYMIYXDMNH-UHFFFAOYSA-N 0 0 432.502 1.248 50 0 IDAARN O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000016684889 556625158 /nfs/dbraw/zinc/62/51/58/556625158.db2.gz KADKVKPAMJIJPJ-UHFFFAOYSA-N 0 0 443.554 1.758 50 0 IDAARN CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000039953615 556630584 /nfs/dbraw/zinc/63/05/84/556630584.db2.gz JCKOUAWEMPKIAT-CXQPBAHBSA-N 0 0 440.470 1.862 50 0 IDAARN CSCC[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nnc2ccccn21 ZINC000409413898 556641068 /nfs/dbraw/zinc/64/10/68/556641068.db2.gz VZARMXCNNLBOQQ-HZPDHXFCSA-N 0 0 438.513 1.781 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)Nc1cccc(OCCN2CCOCC2)c1 ZINC000409415063 556641705 /nfs/dbraw/zinc/64/17/05/556641705.db2.gz SGGLRVQWCBKJAO-FQEVSTJZSA-N 0 0 438.484 1.851 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000032921802 556642500 /nfs/dbraw/zinc/64/25/00/556642500.db2.gz ZNSUOFQLMDEUEN-QGZVFWFLSA-N 0 0 445.545 1.265 50 0 IDAARN Cc1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1O ZINC000011712683 556643462 /nfs/dbraw/zinc/64/34/62/556643462.db2.gz ITHCCVVXCQXVNF-UHFFFAOYSA-N 0 0 434.470 1.517 50 0 IDAARN Cc1ccc(C)c(N2N=C(C(=O)O[C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CCC2=O)c1 ZINC000016867126 556647657 /nfs/dbraw/zinc/64/76/57/556647657.db2.gz MAONZTHVXRMBKO-CVEARBPZSA-N 0 0 449.529 1.363 50 0 IDAARN O=c1ccc(-c2ccncc2)nn1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011746636 556650061 /nfs/dbraw/zinc/65/00/61/556650061.db2.gz NTKJTXMOSJDORB-UHFFFAOYSA-N 0 0 428.470 1.445 50 0 IDAARN CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1)C(=O)[O-] ZINC000247960313 556650664 /nfs/dbraw/zinc/65/06/64/556650664.db2.gz DDDLLUYLHYJMDV-VJANTYMQSA-N 0 0 435.590 1.802 50 0 biogenic IDAARN C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000016970752 556651832 /nfs/dbraw/zinc/65/18/32/556651832.db2.gz DYVKEUJHAHTUEI-WMLDXEAASA-N 0 0 437.518 1.166 50 0 IDAARN CCc1nc(SCC(=O)Nc2ccc(OC)c(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000011758072 556652249 /nfs/dbraw/zinc/65/22/49/556652249.db2.gz PWUDFLGLONBQCI-UHFFFAOYSA-N 0 0 445.501 1.338 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)N3CCCCCC3)nc(-c3ccco3)nc2n(C)c1=O ZINC000011758250 556652538 /nfs/dbraw/zinc/65/25/38/556652538.db2.gz PNBXBFDSIHBWAS-UHFFFAOYSA-N 0 0 429.502 1.782 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000011758171 556652553 /nfs/dbraw/zinc/65/25/53/556652553.db2.gz BLUSYFAYAFMLTK-UHFFFAOYSA-N 0 0 443.504 1.938 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2nnn3-c2ccc(C)cc2)CC1 ZINC000011758571 556653163 /nfs/dbraw/zinc/65/31/63/556653163.db2.gz ZYLPLYDSCKAYON-UHFFFAOYSA-N 0 0 441.517 1.912 50 0 IDAARN COc1cc(NC(=O)C2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)cc(OC)c1OC ZINC000032999322 556653268 /nfs/dbraw/zinc/65/32/68/556653268.db2.gz UHWDYHPJCGBOER-UHFFFAOYSA-N 0 0 446.504 1.273 50 0 IDAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000033001814 556654257 /nfs/dbraw/zinc/65/42/57/556654257.db2.gz LUSWYWUJKCYHKP-HUUCEWRRSA-N 0 0 428.514 1.948 50 0 IDAARN O=C(CCNc1ncccn1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000032928284 556656795 /nfs/dbraw/zinc/65/67/95/556656795.db2.gz HHWGNNLTJCHCHF-UHFFFAOYSA-N 0 0 439.907 1.827 50 0 IDAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2cnc3cc(OC)ccc3c2O)cc1 ZINC000032928408 556656818 /nfs/dbraw/zinc/65/68/18/556656818.db2.gz FJHBORQZFRZIEG-UHFFFAOYSA-N 0 0 431.470 1.254 50 0 IDAARN CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(CC)c3C)CC2)cc1 ZINC000017095064 556658368 /nfs/dbraw/zinc/65/83/68/556658368.db2.gz BFCANRIRGCYFQW-UHFFFAOYSA-N 0 0 426.564 1.469 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=S)NC[C@@H]3CCCO3)CC2)c1 ZINC000017096620 556660485 /nfs/dbraw/zinc/66/04/85/556660485.db2.gz LBISWAJOCKHUQR-HNNXBMFYSA-N 0 0 429.564 1.064 50 0 IDAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)cc1 ZINC000011858101 556663290 /nfs/dbraw/zinc/66/32/90/556663290.db2.gz UXXHUKNBUAOHGB-UHFFFAOYSA-N 0 0 437.499 1.821 50 0 IDAARN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 ZINC000011858302 556663794 /nfs/dbraw/zinc/66/37/94/556663794.db2.gz JDWIZFNBPKCCTM-UHFFFAOYSA-N 0 0 437.499 1.821 50 0 IDAARN CCN(CCc1ccncc1)S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011859309 556664144 /nfs/dbraw/zinc/66/41/44/556664144.db2.gz UAYYFFRZDCDHBQ-UHFFFAOYSA-N 0 0 437.543 1.710 50 0 IDAARN CCOC(=O)[C@@H]1CSCCN1C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000033016191 556665223 /nfs/dbraw/zinc/66/52/23/556665223.db2.gz MEBJLBHZODOIDA-HTAPYJJXSA-N 0 0 445.541 1.883 50 0 IDAARN CCn1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)n1 ZINC000017102246 556666540 /nfs/dbraw/zinc/66/65/40/556666540.db2.gz SKBZIECTXYCANI-XYSGSMRZSA-N 0 0 438.509 1.633 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000017102604 556666731 /nfs/dbraw/zinc/66/67/31/556666731.db2.gz DMYKVWVPPBKRRL-UHFFFAOYSA-N 0 0 438.556 1.695 50 0 IDAARN C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000017112714 556667766 /nfs/dbraw/zinc/66/77/66/556667766.db2.gz JLFDJTZWVFZXQU-HNNXBMFYSA-N 0 0 436.468 1.324 50 0 IDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1ccccc1F ZINC000011906112 556671287 /nfs/dbraw/zinc/67/12/87/556671287.db2.gz NZOLJHJULHGGKM-UHFFFAOYSA-N 0 0 442.490 1.422 50 0 IDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000011906388 556671508 /nfs/dbraw/zinc/67/15/08/556671508.db2.gz CMGDVSBFBYIYMU-UHFFFAOYSA-N 0 0 438.483 1.634 50 0 IDAARN COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c1OCCO2 ZINC000017185147 556672030 /nfs/dbraw/zinc/67/20/30/556672030.db2.gz ZMVGYCUJYYMTDF-LLVKDONJSA-N 0 0 436.442 1.298 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCCC[C@H]3CNC(=O)OC(C)(C)C)cc2n(C)c1=O ZINC000060321493 556676496 /nfs/dbraw/zinc/67/64/96/556676496.db2.gz GBWJJDACBQQVGU-AWEZNQCLSA-N 0 0 438.550 1.945 50 0 IDAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccncc1 ZINC000044901422 556677994 /nfs/dbraw/zinc/67/79/94/556677994.db2.gz ONDYMMJGKHPRSX-UHFFFAOYSA-N 0 0 438.919 1.935 50 0 IDAARN COc1ccc(-c2cc(C(=O)N3CCN(C(C)=O)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011997030 556679128 /nfs/dbraw/zinc/67/91/28/556679128.db2.gz INEXIOGPKINKMF-KRWDZBQOSA-N 0 0 446.529 1.223 50 0 IDAARN CN(C(=O)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000033325378 556679551 /nfs/dbraw/zinc/67/95/51/556679551.db2.gz LGVFNYAPAORADA-QWHCGFSZSA-N 0 0 443.572 1.230 50 0 IDAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1=O ZINC000012005936 556680445 /nfs/dbraw/zinc/68/04/45/556680445.db2.gz NCBHMOLUDOKEAG-CQSZACIVSA-N 0 0 431.470 1.190 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)NCc4ccco4)CC3)cc2NC1=O ZINC000033021757 556686305 /nfs/dbraw/zinc/68/63/05/556686305.db2.gz PNWUQMIBWBHOKA-ZDUSSCGKSA-N 0 0 434.474 1.215 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000018218160 556687374 /nfs/dbraw/zinc/68/73/74/556687374.db2.gz YCVZFEDCAKOGEI-UHFFFAOYSA-N 0 0 447.498 1.393 50 0 IDAARN COCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S ZINC000002254972 556687495 /nfs/dbraw/zinc/68/74/95/556687495.db2.gz XYFDFTCCQMRZQB-XNTDXEJSSA-N 0 0 434.543 1.250 50 0 IDAARN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000018271487 556688826 /nfs/dbraw/zinc/68/88/26/556688826.db2.gz TUMHKKYOEKRNHW-FQEVSTJZSA-N 0 0 429.517 1.678 50 0 IDAARN COCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)NCc3ccco3)ccc21 ZINC000033023652 556693487 /nfs/dbraw/zinc/69/34/87/556693487.db2.gz FPBYFMBYYDFHFP-LJQANCHMSA-N 0 0 447.517 1.530 50 0 IDAARN CC[C@]1(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292221 556695146 /nfs/dbraw/zinc/69/51/46/556695146.db2.gz DHXDYZALRKHSBA-KRWDZBQOSA-N 0 0 437.534 1.085 50 0 IDAARN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C ZINC000072314233 556696471 /nfs/dbraw/zinc/69/64/71/556696471.db2.gz FQYFAWFACCVTML-NSHDSACASA-N 0 0 428.536 1.309 50 0 IDAARN CN(C(=O)CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000013576333 556698320 /nfs/dbraw/zinc/69/83/20/556698320.db2.gz HWDWJIAVOHSXBA-MFYHJKBNSA-N 0 0 426.491 1.898 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)o2)n(C)n1 ZINC000013615075 556702885 /nfs/dbraw/zinc/70/28/85/556702885.db2.gz MWTQWMQUCRPTTJ-AWEZNQCLSA-N 0 0 430.490 1.818 50 0 IDAARN COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000013692240 556711621 /nfs/dbraw/zinc/71/16/21/556711621.db2.gz GEUADDACMQBGLF-GPANFISMSA-N 0 0 444.575 1.083 50 0 IDAARN COCCn1c(CN2CCN(c3ncccn3)CC2)cnc1S(=O)(=O)CCC(C)C ZINC000019224417 556716720 /nfs/dbraw/zinc/71/67/20/556716720.db2.gz AKAGMKMIFSSLKH-UHFFFAOYSA-N 0 0 436.582 1.462 50 0 IDAARN O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCCC2)c1=O)NC1CCCC1 ZINC000072331999 556731013 /nfs/dbraw/zinc/73/10/13/556731013.db2.gz KMIMUQZGDFEVDL-UHFFFAOYSA-N 0 0 438.484 1.591 50 0 IDAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4c[nH]cn4)C3)C[C@H]2C)c1 ZINC000013777158 556731095 /nfs/dbraw/zinc/73/10/95/556731095.db2.gz MJYYBWMDSKMRBJ-MSOLQXFVSA-N 0 0 431.562 1.856 50 0 IDAARN COCCOC1CCN(C(=O)C[C@H]2C(=O)NCCN2C/C=C/c2ccccc2OC)CC1 ZINC000055131672 556735599 /nfs/dbraw/zinc/73/55/99/556735599.db2.gz MQMPXGCRKUSVMD-XYASWCNUSA-N 0 0 445.560 1.553 50 0 IDAARN CCOc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)N2CN2CCOCC2)cc1 ZINC000019312599 556735659 /nfs/dbraw/zinc/73/56/59/556735659.db2.gz HQISKOUIEFIJGP-JOCHJYFZSA-N 0 0 432.521 1.144 50 0 IDAARN Cc1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)NCC(F)(F)F)cc3)C2)[nH]1 ZINC000079107797 556737240 /nfs/dbraw/zinc/73/72/40/556737240.db2.gz GBYHWKRJWLTSPT-ZDUSSCGKSA-N 0 0 431.440 1.974 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)N1CCC(O)(c2ccccn2)CC1 ZINC000055326137 556740135 /nfs/dbraw/zinc/74/01/35/556740135.db2.gz VZZJRWVAJOVQAG-GOSISDBHSA-N 0 0 444.482 1.561 50 0 IDAARN CN(C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C1CCCCC1 ZINC000057994068 556751463 /nfs/dbraw/zinc/75/14/63/556751463.db2.gz NEOJTQLUYNTZJY-UHFFFAOYSA-N 0 0 444.575 1.841 50 0 IDAARN CC(C)N(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1cnn(C)c1 ZINC000058018064 556754181 /nfs/dbraw/zinc/75/41/81/556754181.db2.gz BOEMVVQWUGVYOL-UHFFFAOYSA-N 0 0 433.578 1.305 50 0 IDAARN C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C[C@@H](O)c2ccc3c(c2)OCO3)C1=O ZINC000058105574 556758545 /nfs/dbraw/zinc/75/85/45/556758545.db2.gz DTFADJSNGLVDLA-FOIQADDNSA-N 0 0 432.454 1.319 50 0 IDAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000061887722 556762164 /nfs/dbraw/zinc/76/21/64/556762164.db2.gz CWWZGMDSTOCJFO-JOCHJYFZSA-N 0 0 442.447 1.560 50 0 IDAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)C(=O)NC2 ZINC000058154648 556762439 /nfs/dbraw/zinc/76/24/39/556762439.db2.gz CKFQHSFLJCFWIH-UHFFFAOYSA-N 0 0 429.498 1.522 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1OCC ZINC000058154584 556762451 /nfs/dbraw/zinc/76/24/51/556762451.db2.gz PRKWJYXJPXXYGH-UHFFFAOYSA-N 0 0 434.518 1.489 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCOCCOCCOCC1 ZINC000005298528 556762881 /nfs/dbraw/zinc/76/28/81/556762881.db2.gz PSTTWFOGCFKEDV-UHFFFAOYSA-N 0 0 426.535 1.367 50 0 IDAARN Cc1noc([C@H](C)NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)n1 ZINC000058157673 556763056 /nfs/dbraw/zinc/76/30/56/556763056.db2.gz ZUXBEIXKCYOLSL-LBPRGKRZSA-N 0 0 449.489 1.338 50 0 IDAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000058157743 556763257 /nfs/dbraw/zinc/76/32/57/556763257.db2.gz ZFMDUZZHUPFPMG-HNNXBMFYSA-N 0 0 430.552 1.017 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc4nnc(C)n4c3)CC2)c1 ZINC000058158300 556763262 /nfs/dbraw/zinc/76/32/62/556763262.db2.gz GUGDEIIIEOKCKV-UHFFFAOYSA-N 0 0 445.501 1.202 50 0 IDAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000058161338 556765196 /nfs/dbraw/zinc/76/51/96/556765196.db2.gz CDRGKAWBFHOCBD-UHFFFAOYSA-N 0 0 444.557 1.937 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCN1CCOCC1)c1ccccc1)C2=O ZINC000058161559 556765562 /nfs/dbraw/zinc/76/55/62/556765562.db2.gz HXLQSBOPQFBFCV-UHFFFAOYSA-N 0 0 428.533 1.853 50 0 IDAARN O=C(Cc1cccc(F)c1)NCCNC(=O)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000058167112 556767073 /nfs/dbraw/zinc/76/70/73/556767073.db2.gz FOCVYEJKXYIJFA-UHFFFAOYSA-N 0 0 434.497 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556773175 /nfs/dbraw/zinc/77/31/75/556773175.db2.gz OSOODBQNWGJYHG-MSOLQXFVSA-N 0 0 431.514 1.913 50 0 IDAARN CC(=O)[C@@H]1CC(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)=NN1c1ccccc1 ZINC000058225474 556773712 /nfs/dbraw/zinc/77/37/12/556773712.db2.gz OIDNKEYNISZBRY-IBGZPJMESA-N 0 0 438.488 1.290 50 0 IDAARN C[C@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(Cc2cc(=O)n3ccccc3n2)C1=O ZINC000058264799 556776285 /nfs/dbraw/zinc/77/62/85/556776285.db2.gz PECSNNBNNYILSQ-JOCHJYFZSA-N 0 0 433.424 1.618 50 0 IDAARN Cn1ccnc1[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)c1ccccc1 ZINC000058289347 556777505 /nfs/dbraw/zinc/77/75/05/556777505.db2.gz CPAGWGKDJJIYQE-HXUWFJFHSA-N 0 0 426.498 1.634 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)CC2=O)cc1 ZINC000058310578 556779805 /nfs/dbraw/zinc/77/98/05/556779805.db2.gz SXZRMSDITPBFMA-GOSISDBHSA-N 0 0 445.523 1.929 50 0 IDAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)C1 ZINC000058313592 556780122 /nfs/dbraw/zinc/78/01/22/556780122.db2.gz 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O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)NCc1ccc2c(c1)OCO2 ZINC000003318776 556809970 /nfs/dbraw/zinc/80/99/70/556809970.db2.gz OUXSAMPTPROSJP-UHFFFAOYSA-N 0 0 446.481 1.673 50 0 IDAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccncc5)CC4)c3CO2)cc1 ZINC000097943643 556813512 /nfs/dbraw/zinc/81/35/12/556813512.db2.gz SBYVVPKONHWWDX-FQEVSTJZSA-N 0 0 432.484 1.851 50 0 IDAARN COc1cc(CCNC(=O)Cn2c3ccccc3n(C)c(=O)c2=O)cc(OC)c1OC ZINC000033068456 556822799 /nfs/dbraw/zinc/82/27/99/556822799.db2.gz UNNXSMVJOIUZFE-UHFFFAOYSA-N 0 0 427.457 1.085 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O ZINC000206641143 556825893 /nfs/dbraw/zinc/82/58/93/556825893.db2.gz VNZNZKAXKKQNMN-UHFFFAOYSA-N 0 0 449.514 1.268 50 0 IDAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000064893375 556828480 /nfs/dbraw/zinc/82/84/80/556828480.db2.gz SBEREORKBDCCJA-UHFFFAOYSA-N 0 0 445.545 1.752 50 0 IDAARN CC(C)Cc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)cc1 ZINC000064893444 556828489 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556897950 /nfs/dbraw/zinc/89/79/50/556897950.db2.gz ATKPIOXYMXURQN-UHFFFAOYSA-N 0 0 428.493 1.685 50 0 IDAARN CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)ncn2)CC1 ZINC000072117306 556898120 /nfs/dbraw/zinc/89/81/20/556898120.db2.gz RNMOGAJQPUGGKW-UHFFFAOYSA-N 0 0 436.969 1.393 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1C ZINC000072119294 556898497 /nfs/dbraw/zinc/89/84/97/556898497.db2.gz YVJSIXAOKPFEME-UHFFFAOYSA-N 0 0 431.562 1.749 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1 ZINC000033261601 556899660 /nfs/dbraw/zinc/89/96/60/556899660.db2.gz LVLCADNWSIVNDF-KRWDZBQOSA-N 0 0 425.489 1.575 50 0 IDAARN Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000033261922 556899848 /nfs/dbraw/zinc/89/98/48/556899848.db2.gz WSZBXDQMPWEACE-GOSISDBHSA-N 0 0 429.498 1.795 50 0 IDAARN O=C(NCCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000033261950 556900085 /nfs/dbraw/zinc/90/00/85/556900085.db2.gz GOPVCSHONIWIIT-SFHVURJKSA-N 0 0 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ZINC000019830984 556926302 /nfs/dbraw/zinc/92/63/02/556926302.db2.gz NNVCSQQHEKVIHX-UHFFFAOYSA-N 0 0 430.444 1.259 50 0 IDAARN O=C(NCCN1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccc(Cl)cc1 ZINC000019831425 556926463 /nfs/dbraw/zinc/92/64/63/556926463.db2.gz ZJEGDGMXGJNBMW-UHFFFAOYSA-N 0 0 446.910 1.670 50 0 IDAARN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccccc4F)CC3)C2=O)cc1 ZINC000019831188 556926482 /nfs/dbraw/zinc/92/64/82/556926482.db2.gz QUBHDTQOYOVDHK-LJQANCHMSA-N 0 0 439.443 1.702 50 0 IDAARN O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)NCc1ccccc1 ZINC000019831251 556926485 /nfs/dbraw/zinc/92/64/85/556926485.db2.gz GCTBSFSJEVPEII-UHFFFAOYSA-N 0 0 428.920 1.530 50 0 IDAARN Cc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000019831439 556926542 /nfs/dbraw/zinc/92/65/42/556926542.db2.gz NNDLQUNPGWRSDZ-UHFFFAOYSA-N 0 0 444.557 1.365 50 0 IDAARN O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000019835989 556928117 /nfs/dbraw/zinc/92/81/17/556928117.db2.gz 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CCOc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCN(C)CC3)n2C)cc1 ZINC000019991394 556957177 /nfs/dbraw/zinc/95/71/77/556957177.db2.gz GEJNDTPEAVOMKO-UHFFFAOYSA-N 0 0 432.550 1.261 50 0 IDAARN COc1ccc(-n2c(=O)c(C(=O)NCCCN3CCOCC3)cc3c2CCCC3=O)cc1 ZINC000020026803 556967339 /nfs/dbraw/zinc/96/73/39/556967339.db2.gz LIABPSCVOUKORX-UHFFFAOYSA-N 0 0 439.512 1.817 50 0 IDAARN CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ncn2)CC1 ZINC000072441523 556972994 /nfs/dbraw/zinc/97/29/94/556972994.db2.gz NAPVJLDQLNSHOU-UHFFFAOYSA-N 0 0 438.504 1.018 50 0 IDAARN CCOC(=O)C(=O)Nc1cc2c(cc1Oc1ccc(OCC)cc1)n(C)c(=O)c(=O)n2C ZINC000033265731 556975807 /nfs/dbraw/zinc/97/58/07/556975807.db2.gz RLHWGNJSIJVSAZ-UHFFFAOYSA-N 0 0 441.440 1.930 50 0 IDAARN CC[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000097001460 556978508 /nfs/dbraw/zinc/97/85/08/556978508.db2.gz KTYDDCRYJRTKRH-QGZVFWFLSA-N 0 0 430.461 1.900 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(Cc2ccccc2)CC1)Nc1ccccc1 ZINC000020103222 556980849 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1.189 50 0 IDAARN O=C(NCc1ccc(F)cc1)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000033292381 557075759 /nfs/dbraw/zinc/07/57/59/557075759.db2.gz XXQPPIYNXVBQFH-UHFFFAOYSA-N 0 0 446.460 1.827 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(-c3nnnn3C)c2)cc1 ZINC000011289290 557077322 /nfs/dbraw/zinc/07/73/22/557077322.db2.gz WUVHQJPYDUMTGW-UHFFFAOYSA-N 0 0 444.517 1.925 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCCc2ccccc2)cc1 ZINC000011307894 557082231 /nfs/dbraw/zinc/08/22/31/557082231.db2.gz DQFGTEXTACLTRK-UHFFFAOYSA-N 0 0 432.498 1.460 50 0 IDAARN Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N(CCN4CCOCC4)C3)CC2)cc1 ZINC000023339413 557085504 /nfs/dbraw/zinc/08/55/04/557085504.db2.gz WZQJHVMFMSIDDZ-HXUWFJFHSA-N 0 0 429.561 1.936 50 0 IDAARN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1ccc2c(c1)OCO2 ZINC000023348933 557086360 /nfs/dbraw/zinc/08/63/60/557086360.db2.gz VVWOYFPHYMTSGO-NSHDSACASA-N 0 0 429.458 1.722 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCN(C(=O)N3CCCCC3)CC1)CC2 ZINC000023356524 557086966 /nfs/dbraw/zinc/08/69/66/557086966.db2.gz PDRLBDLVLITIIC-UHFFFAOYSA-N 0 0 430.549 1.812 50 0 IDAARN O=C(Cn1cnc(-c2cccs2)cc1=O)NCCOc1cc(N2CCCCC2)ncn1 ZINC000049028351 557088600 /nfs/dbraw/zinc/08/86/00/557088600.db2.gz GOJVYTPARKJNHJ-UHFFFAOYSA-N 0 0 440.529 1.947 50 0 IDAARN COc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1NC(C)=O ZINC000023409067 557090989 /nfs/dbraw/zinc/09/09/89/557090989.db2.gz BHRPFGQGRZYAOV-UHFFFAOYSA-N 0 0 447.513 1.889 50 0 IDAARN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000023462787 557093275 /nfs/dbraw/zinc/09/32/75/557093275.db2.gz MCZNHNQDDRTOJZ-INIZCTEOSA-N 0 0 427.534 1.528 50 0 IDAARN COc1ccc(OC)c(N2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)c1 ZINC000049391384 557095087 /nfs/dbraw/zinc/09/50/87/557095087.db2.gz VTLGYCPKMWELSM-UHFFFAOYSA-N 0 0 442.472 1.523 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)CC1 ZINC000049399289 557095284 /nfs/dbraw/zinc/09/52/84/557095284.db2.gz ODPADMMGQITSHY-UHFFFAOYSA-N 0 0 444.495 1.915 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3c(N4CCC[C@H](C)C4)nccn3c2=O)cc1OC ZINC000049399834 557095608 /nfs/dbraw/zinc/09/56/08/557095608.db2.gz HLXMRQXRRBJOGR-AWEZNQCLSA-N 0 0 426.477 1.783 50 0 IDAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CC2)c1=O)Nc1ccccc1 ZINC000049402427 557097917 /nfs/dbraw/zinc/09/79/17/557097917.db2.gz CGMGBJIBLURQFL-UHFFFAOYSA-N 0 0 432.436 1.827 50 0 IDAARN CN1CCc2nc(NC(=O)C3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)sc2C1 ZINC000023608558 557101084 /nfs/dbraw/zinc/10/10/84/557101084.db2.gz FGRCLABTHNQPBR-UHFFFAOYSA-N 0 0 445.570 1.931 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C[C@@]34C=C[C@@H]2O4)CC1 ZINC000085418995 557101528 /nfs/dbraw/zinc/10/15/28/557101528.db2.gz PUBGQMMCPHQVAW-KGYLXKDPSA-N 0 0 441.484 1.282 50 0 IDAARN COc1ccc(CCNC(=O)[C@H]2[C@H]3C(=O)N(c4cc(C)on4)C[C@@]34C=C[C@@H]2O4)cc1OC ZINC000085420718 557101647 /nfs/dbraw/zinc/10/16/47/557101647.db2.gz WNDGURXLUQSKEF-BOWONNERSA-N 0 0 439.468 1.646 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)c1C ZINC000085620828 557102499 /nfs/dbraw/zinc/10/24/99/557102499.db2.gz UJJUYMOMWOKKKO-KRWDZBQOSA-N 0 0 434.537 1.109 50 0 IDAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023654071 557103381 /nfs/dbraw/zinc/10/33/81/557103381.db2.gz XTJLFPLQTBKDDF-UHFFFAOYSA-N 0 0 426.517 1.520 50 0 IDAARN COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCC3)c2=O)cc1OC ZINC000049409004 557104012 /nfs/dbraw/zinc/10/40/12/557104012.db2.gz HHPXPMXAEGIWOJ-UHFFFAOYSA-N 0 0 435.502 1.679 50 0 IDAARN CCN(CC)C(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000023657616 557104123 /nfs/dbraw/zinc/10/41/23/557104123.db2.gz AHMYSKADUMVYPU-INIZCTEOSA-N 0 0 434.518 1.273 50 0 IDAARN COc1cccc(CNC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)c1 ZINC000049409300 557104361 /nfs/dbraw/zinc/10/43/61/557104361.db2.gz GKXRKZLXFVIYAN-UHFFFAOYSA-N 0 0 433.530 1.738 50 0 IDAARN COc1cc(C=CC(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc(OC)c1 ZINC000023673258 557105025 /nfs/dbraw/zinc/10/50/25/557105025.db2.gz ZRFJPGUEBBUOJB-VOTSOKGWSA-N 0 0 431.445 1.546 50 0 IDAARN COc1ccc(S(=O)(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1F ZINC000585147633 557105516 /nfs/dbraw/zinc/10/55/16/557105516.db2.gz KISKDQGODLGKIW-UHFFFAOYSA-N 0 0 441.506 1.846 50 0 IDAARN CCCCn1c(CN2CCN(C(C)=O)CC2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000023696069 557107276 /nfs/dbraw/zinc/10/72/76/557107276.db2.gz DWLFEYHBFJFMHD-UHFFFAOYSA-N 0 0 438.532 1.399 50 0 IDAARN O=C(c1cccc2c1OCCO2)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 ZINC000585148447 557109100 /nfs/dbraw/zinc/10/91/00/557109100.db2.gz BMJJEOZVHNOOCT-UHFFFAOYSA-N 0 0 427.379 1.889 50 0 IDAARN O=C1CN(C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)C(=O)N1CC(F)(F)F ZINC000585148542 557109714 /nfs/dbraw/zinc/10/97/14/557109714.db2.gz XOKIMDRMMUKRDI-UHFFFAOYSA-N 0 0 437.415 1.946 50 0 IDAARN COCCn1c(=O)[nH]c(=O)c2c1NC(=O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000049551638 557113532 /nfs/dbraw/zinc/11/35/32/557113532.db2.gz QYFAUQOJBBSUAW-VIFPVBQESA-N 0 0 426.351 1.916 50 0 IDAARN Cc1ccc(NC(=O)C(=O)NCC2CCN(c3ncccn3)CC2)cc1N1CCCC1=O ZINC000049522683 557114426 /nfs/dbraw/zinc/11/44/26/557114426.db2.gz FTGVZWYCMKGBMK-UHFFFAOYSA-N 0 0 436.516 1.883 50 0 IDAARN O=C(NCC1CCN(c2ccccn2)CC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000049522646 557114476 /nfs/dbraw/zinc/11/44/76/557114476.db2.gz UZMMBNLXNBAFDG-UHFFFAOYSA-N 0 0 433.512 1.888 50 0 IDAARN COc1ccc2c(CC(=O)OCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)coc2c1 ZINC000023762919 557114981 /nfs/dbraw/zinc/11/49/81/557114981.db2.gz QQFFXIZIADJFDY-UHFFFAOYSA-N 0 0 429.429 1.813 50 0 IDAARN COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 ZINC000023805987 557117664 /nfs/dbraw/zinc/11/76/64/557117664.db2.gz QTDPKYJNRLGTHB-QFIPXVFZSA-N 0 0 441.440 1.653 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1=O ZINC000023805968 557117735 /nfs/dbraw/zinc/11/77/35/557117735.db2.gz VMYLKJIPEVLOBD-XMMPIXPASA-N 0 0 445.479 1.880 50 0 IDAARN CC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000023818240 557118298 /nfs/dbraw/zinc/11/82/98/557118298.db2.gz QHQQNJPIANYDRI-ZHRRBRCNSA-N 0 0 426.425 1.825 50 0 IDAARN O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)nc1)N1CCOCC1 ZINC000023846142 557120234 /nfs/dbraw/zinc/12/02/34/557120234.db2.gz AQAOJDLRUFQEBI-UHFFFAOYSA-N 0 0 444.557 1.360 50 0 IDAARN Nc1[nH]c(=O)[nH]c(=O)c1[C@H](c1cccc(C(F)(F)F)c1)N1CCN(c2ccccn2)CC1 ZINC000023865291 557121195 /nfs/dbraw/zinc/12/11/95/557121195.db2.gz DLOVJBOOBYJXRP-KRWDZBQOSA-N 0 0 446.433 1.971 50 0 IDAARN Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000023242928 557122219 /nfs/dbraw/zinc/12/22/19/557122219.db2.gz LKBBZGLHTKCORT-UHFFFAOYSA-N 0 0 443.569 1.974 50 0 IDAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000017797036 557122990 /nfs/dbraw/zinc/12/29/90/557122990.db2.gz INQBYGSBEUDOCT-UHFFFAOYSA-N 0 0 444.488 1.528 50 0 IDAARN COCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc2c1=O ZINC000004791797 557124732 /nfs/dbraw/zinc/12/47/32/557124732.db2.gz GNSKXSYRCBDHQQ-UHFFFAOYSA-N 0 0 429.429 1.614 50 0 IDAARN CNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1 ZINC000023949806 557127235 /nfs/dbraw/zinc/12/72/35/557127235.db2.gz BGLYMJNMYZCOQL-HXUWFJFHSA-N 0 0 430.486 1.183 50 0 IDAARN O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000017899561 557127530 /nfs/dbraw/zinc/12/75/30/557127530.db2.gz OJNQHAJIKHWEMY-HXUWFJFHSA-N 0 0 444.509 1.884 50 0 IDAARN CN(CCO)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCSc1nc2ccccc2s1 ZINC000008973054 557128256 /nfs/dbraw/zinc/12/82/56/557128256.db2.gz NEFLQCQYUUBRJM-UHFFFAOYSA-N 0 0 432.531 1.254 50 0 IDAARN CN(C)C(=O)[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccccc1 ZINC000017934838 557129335 /nfs/dbraw/zinc/12/93/35/557129335.db2.gz GTQOPSOKCCWJTD-LJQANCHMSA-N 0 0 434.587 1.939 50 0 IDAARN O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023994796 557130970 /nfs/dbraw/zinc/13/09/70/557130970.db2.gz 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CCn1c2ccccc2n(CC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1=O ZINC000024777617 557137903 /nfs/dbraw/zinc/13/79/03/557137903.db2.gz KWVUDVNUIONBPA-UHFFFAOYSA-N 0 0 432.488 1.147 50 0 IDAARN COc1cc(CNC(=O)CCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(OC)c1 ZINC000016029540 557142261 /nfs/dbraw/zinc/14/22/61/557142261.db2.gz VLNAWMFOCUFEON-ZWKOTPCHSA-N 0 0 439.512 1.908 50 0 biogenic IDAARN CCNC(=O)[C@@H](C)NC(=O)c1cccc(NC(=O)Cc2sc(N(CC)CC)nc2O)c1 ZINC000011409540 557142526 /nfs/dbraw/zinc/14/25/26/557142526.db2.gz VDKLGKMNDMPXNF-CZUORRHYSA-N 0 0 447.561 1.609 50 0 IDAARN O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000024345716 557144698 /nfs/dbraw/zinc/14/46/98/557144698.db2.gz QTQFZYQBCDDLMS-INIZCTEOSA-N 0 0 432.564 1.335 50 0 IDAARN CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000024348089 557144814 /nfs/dbraw/zinc/14/48/14/557144814.db2.gz SBNMZKHIAWASJE-UHFFFAOYSA-N 0 0 429.486 1.598 50 0 IDAARN O=C(COc1ccc(F)cc1F)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000024570257 557151370 /nfs/dbraw/zinc/15/13/70/557151370.db2.gz LMPDQXGNFLMTBS-UHFFFAOYSA-N 0 0 426.441 1.681 50 0 IDAARN COc1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000024652318 557157274 /nfs/dbraw/zinc/15/72/74/557157274.db2.gz XWFWAIQOKNJTGD-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000024749639 557161982 /nfs/dbraw/zinc/16/19/82/557161982.db2.gz NANKTFVJHAGVIM-HZPDHXFCSA-N 0 0 431.580 1.020 50 0 IDAARN COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 ZINC000024765663 557164991 /nfs/dbraw/zinc/16/49/91/557164991.db2.gz MJUDBYFXQJNKFS-UHFFFAOYSA-N 0 0 432.498 1.905 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000024770870 557165549 /nfs/dbraw/zinc/16/55/49/557165549.db2.gz ANWRGPUBICZBPG-IRXDYDNUSA-N 0 0 438.546 1.962 50 0 IDAARN Cc1nn(CC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c(=O)c2ccccc12 ZINC000024778460 557167405 /nfs/dbraw/zinc/16/74/05/557167405.db2.gz ZSRNIQWHKCICBK-UHFFFAOYSA-N 0 0 430.472 1.029 50 0 IDAARN O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000024802989 557168357 /nfs/dbraw/zinc/16/83/57/557168357.db2.gz LHMBPZQMHSQTDS-RHSMWYFYSA-N 0 0 425.938 1.024 50 0 IDAARN Cn1c2ncn(CC(=O)N3CCS[C@H](c4ccccc4Cl)CC3)c2c(=O)n(C)c1=O ZINC000206993547 557169166 /nfs/dbraw/zinc/16/91/66/557169166.db2.gz RTCMOMPCKGYBSA-HNNXBMFYSA-N 0 0 447.948 1.794 50 0 IDAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000024833864 557171611 /nfs/dbraw/zinc/17/16/11/557171611.db2.gz ZXFMZMGSNOVUGO-MRXNPFEDSA-N 0 0 447.513 1.791 50 0 IDAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000024840848 557173284 /nfs/dbraw/zinc/17/32/84/557173284.db2.gz MVFGDLKNCRKXLH-DOTOQJQBSA-N 0 0 440.518 1.019 50 0 IDAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000024840830 557173306 /nfs/dbraw/zinc/17/33/06/557173306.db2.gz MVFGDLKNCRKXLH-WBVHZDCISA-N 0 0 440.518 1.019 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000024928722 557180800 /nfs/dbraw/zinc/18/08/00/557180800.db2.gz SODLDTBFUZSGKN-HUUCEWRRSA-N 0 0 431.352 1.849 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011559116 557184208 /nfs/dbraw/zinc/18/42/08/557184208.db2.gz VOPFNTQDZNURQT-MRXNPFEDSA-N 0 0 446.481 1.656 50 0 IDAARN CCCC(=O)Nc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)=O)c1 ZINC000024369730 557187621 /nfs/dbraw/zinc/18/76/21/557187621.db2.gz KQEPFDMUYUKZEZ-UHFFFAOYSA-N 0 0 425.507 1.110 50 0 IDAARN Cc1csc(NC(=O)CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)n1 ZINC000009426787 557188561 /nfs/dbraw/zinc/18/85/61/557188561.db2.gz ZQURGKSLNPOZCB-UHFFFAOYSA-N 0 0 446.514 1.970 50 0 IDAARN CCn1c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nnc1N1CCOCC1 ZINC000025051593 557191290 /nfs/dbraw/zinc/19/12/90/557191290.db2.gz DUFINSNUMUMXAB-UHFFFAOYSA-N 0 0 441.579 1.556 50 0 IDAARN COc1cc(Br)c(CC(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)cc1OC ZINC000025054712 557192116 /nfs/dbraw/zinc/19/21/16/557192116.db2.gz WRYATXSGHIPMGX-SECBINFHSA-N 0 0 429.267 1.929 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccccc1C(=O)NC1CC1 ZINC000025070394 557194215 /nfs/dbraw/zinc/19/42/15/557194215.db2.gz JDGWZFFJSKFOBJ-UHFFFAOYSA-N 0 0 446.529 1.888 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000100876584 557195354 /nfs/dbraw/zinc/19/53/54/557195354.db2.gz ITYGQRFUVHFKKN-JZJYNLBNSA-N 0 0 439.902 1.918 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1c(F)cccc1F ZINC000100876805 557195356 /nfs/dbraw/zinc/19/53/56/557195356.db2.gz TVZHOWZTSDYUBM-FXBPSFAMSA-N 0 0 441.437 1.543 50 0 IDAARN C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O ZINC000010971208 557196844 /nfs/dbraw/zinc/19/68/44/557196844.db2.gz KZAYARUJFBCNBQ-JOCHJYFZSA-N 0 0 441.509 1.985 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc([C@@H]4CCCO4)o3)CC2)cc1 ZINC000010971668 557196855 /nfs/dbraw/zinc/19/68/55/557196855.db2.gz XFXFNVOIJFXMJJ-INIZCTEOSA-N 0 0 436.490 1.969 50 0 IDAARN O=C(Nc1cccc(Cn2ccnc2)c1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000025179760 557198993 /nfs/dbraw/zinc/19/89/93/557198993.db2.gz JFRHPKJNDVREII-UHFFFAOYSA-N 0 0 439.497 1.304 50 0 IDAARN NS(=O)(=O)c1ccc(CN[C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000096471166 557200939 /nfs/dbraw/zinc/20/09/39/557200939.db2.gz LDMWUUPBLBFGSP-HNNXBMFYSA-N 0 0 438.303 1.518 50 0 IDAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000018011821 557201043 /nfs/dbraw/zinc/20/10/43/557201043.db2.gz HEPTXBCCEWEHEQ-UHFFFAOYSA-N 0 0 442.394 1.847 50 0 IDAARN CCOC(=O)c1nn(CCC(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100939470 557202792 /nfs/dbraw/zinc/20/27/92/557202792.db2.gz XSIBGWBWCQDLDE-HIFRSBDPSA-N 0 0 436.262 1.521 50 0 IDAARN O=C(CNC(=O)c1cccc(Br)c1)NCc1ccnc(N2CCOCC2)c1 ZINC000025290719 557202783 /nfs/dbraw/zinc/20/27/83/557202783.db2.gz OMAHEWJPVJIUOG-UHFFFAOYSA-N 0 0 433.306 1.727 50 0 IDAARN COc1ccc(CCNC(=O)Cn2c(CN3CCOCC3)nc3ccccc3c2=O)cc1 ZINC000025286753 557202860 /nfs/dbraw/zinc/20/28/60/557202860.db2.gz QQABGJORHMOCIO-UHFFFAOYSA-N 0 0 436.512 1.596 50 0 IDAARN COc1ccc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)c(OC)c1 ZINC000169763887 557211298 /nfs/dbraw/zinc/21/12/98/557211298.db2.gz KGJXLCYUMWZHPR-UHFFFAOYSA-N 0 0 441.444 1.361 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000025515155 557212754 /nfs/dbraw/zinc/21/27/54/557212754.db2.gz PAUYXTMETGDPEO-UHFFFAOYSA-N 0 0 443.569 1.974 50 0 IDAARN O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000247769955 557217676 /nfs/dbraw/zinc/21/76/76/557217676.db2.gz NSBURZHNRLPWTQ-GZBFAFLISA-N 0 0 435.424 1.931 50 0 IDAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000069947085 557217848 /nfs/dbraw/zinc/21/78/48/557217848.db2.gz WTWIXWZXQAMRMS-CYBMUJFWSA-N 0 0 444.561 1.487 50 0 IDAARN COc1ccc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1NS(C)(=O)=O ZINC000025599865 557218385 /nfs/dbraw/zinc/21/83/85/557218385.db2.gz BTJACMQHVQGAKD-UHFFFAOYSA-N 0 0 432.458 1.371 50 0 IDAARN NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000025607241 557218737 /nfs/dbraw/zinc/21/87/37/557218737.db2.gz NMTSAGMJNGXCQJ-MSOLQXFVSA-N 0 0 436.940 1.027 50 0 IDAARN CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000025664866 557220606 /nfs/dbraw/zinc/22/06/06/557220606.db2.gz QTKLLDKZZDTARF-PMACEKPBSA-N 0 0 438.484 1.168 50 0 IDAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCCCCC1 ZINC000025702440 557222676 /nfs/dbraw/zinc/22/26/76/557222676.db2.gz AFZRCJRBHVLXNJ-UHFFFAOYSA-N 0 0 436.505 1.826 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000025802084 557226726 /nfs/dbraw/zinc/22/67/26/557226726.db2.gz OVFCBCQOBIXZRU-QAPCUYQASA-N 0 0 445.607 1.708 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1 ZINC000025802099 557227161 /nfs/dbraw/zinc/22/71/61/557227161.db2.gz OVFCBCQOBIXZRU-MAUKXSAKSA-N 0 0 445.607 1.708 50 0 IDAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000025984881 557231629 /nfs/dbraw/zinc/23/16/29/557231629.db2.gz NQYCJEFLTDMPEW-LIRRHRJNSA-N 0 0 429.498 1.706 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)nn1C ZINC000011693840 557232443 /nfs/dbraw/zinc/23/24/43/557232443.db2.gz UVCIISYBUSWVBF-CYBMUJFWSA-N 0 0 448.480 1.957 50 0 IDAARN Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000018047051 557233556 /nfs/dbraw/zinc/23/35/56/557233556.db2.gz OEFYTIQPPLIYRN-GOSISDBHSA-N 0 0 427.484 1.195 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2ccccc2F)C3=O)c1 ZINC000098213096 557236280 /nfs/dbraw/zinc/23/62/80/557236280.db2.gz BMIWYZDBTBYJSF-UHFFFAOYSA-N 0 0 439.447 1.165 50 0 IDAARN Cc1cccc(CN2CCn3c(=O)n(CC(=O)Nc4ccc(F)cc4F)nc3C2=O)c1 ZINC000098213149 557236306 /nfs/dbraw/zinc/23/63/06/557236306.db2.gz RAMWZCUEPSLEIQ-UHFFFAOYSA-N 0 0 427.411 1.926 50 0 IDAARN NC(=O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000026161618 557236470 /nfs/dbraw/zinc/23/64/70/557236470.db2.gz ABTPWJYPOLDMHX-HXUWFJFHSA-N 0 0 431.514 1.381 50 0 IDAARN Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1F ZINC000098213203 557236611 /nfs/dbraw/zinc/23/66/11/557236611.db2.gz WXUKKJSYJIHVOK-UHFFFAOYSA-N 0 0 427.411 1.926 50 0 IDAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2ccco2)cc1 ZINC000390826820 557238967 /nfs/dbraw/zinc/23/89/67/557238967.db2.gz QBGVLVUGWFNMHJ-FQEVSTJZSA-N 0 0 430.438 1.740 50 0 IDAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2ccco2)cc1 ZINC000390826822 557239014 /nfs/dbraw/zinc/23/90/14/557239014.db2.gz QBGVLVUGWFNMHJ-HXUWFJFHSA-N 0 0 430.438 1.740 50 0 IDAARN CCOc1cc2c(cc1NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)O[C@@H](C)C2 ZINC000026886449 557250134 /nfs/dbraw/zinc/25/01/34/557250134.db2.gz HVHWGNUDSKTAPT-GXTWGEPZSA-N 0 0 435.502 1.513 50 0 IDAARN CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000000814401 557255525 /nfs/dbraw/zinc/25/55/25/557255525.db2.gz YUCKXMVIWVZZQU-MRXNPFEDSA-N 0 0 437.499 1.898 50 0 IDAARN COc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1S(=O)(=O)N(C)C ZINC000018287722 557255911 /nfs/dbraw/zinc/25/59/11/557255911.db2.gz JCZMXMXVVYTJSQ-UHFFFAOYSA-N 0 0 430.490 1.546 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000027186533 557258514 /nfs/dbraw/zinc/25/85/14/557258514.db2.gz YMLIXVSLMVWGGM-UHFFFAOYSA-N 0 0 427.530 1.968 50 0 IDAARN COc1ccc2cc(C(=O)OCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)[nH]c2c1 ZINC000027248555 557259419 /nfs/dbraw/zinc/25/94/19/557259419.db2.gz GCICHIJGDGZEGT-UHFFFAOYSA-N 0 0 445.497 1.900 50 0 IDAARN CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000027427255 557262007 /nfs/dbraw/zinc/26/20/07/557262007.db2.gz QWSUTWDDZCBGQA-UHFFFAOYSA-N 0 0 428.864 1.721 50 0 IDAARN C[C@@H](CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCN(c2ccccc2)CC1 ZINC000101246243 557264710 /nfs/dbraw/zinc/26/47/10/557264710.db2.gz JQHJDEHVDMZRGK-RXVVDRJESA-N 0 0 434.540 1.832 50 0 IDAARN Cc1ccc(-n2c(=O)c3cc4c(cc3c2=O)c(=O)n(-c2ccc(C)cc2O)c4=O)c(O)c1 ZINC000000820918 557267856 /nfs/dbraw/zinc/26/78/56/557267856.db2.gz XVDZHGMSNCQEEL-UHFFFAOYSA-N 0 0 428.400 1.919 50 0 IDAARN Cn1c2nc(OC(=O)c3ccccc3)n(C[C@@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000000828787 557271946 /nfs/dbraw/zinc/27/19/46/557271946.db2.gz BTWRODCEWHDSGT-OAHLLOKOSA-N 0 0 436.424 1.082 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)Nc2cc3c(cc2Cl)n(C)c(=O)c(=O)n3C)c1 ZINC000101365152 557277407 /nfs/dbraw/zinc/27/74/07/557277407.db2.gz XZTVFLXXEWATJR-UHFFFAOYSA-N 0 0 439.877 1.709 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000101277798 557285762 /nfs/dbraw/zinc/28/57/62/557285762.db2.gz LUOLYKBLRRPEAM-HOTGVXAUSA-N 0 0 428.876 1.941 50 0 IDAARN O=C(NCCn1ncc2c1ncnc2N1CCN(c2ncccn2)CC1)c1ccccc1F ZINC000011665950 557294697 /nfs/dbraw/zinc/29/46/97/557294697.db2.gz QZEZMMRALSILMG-UHFFFAOYSA-N 0 0 447.478 1.512 50 0 IDAARN Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000014076766 557299385 /nfs/dbraw/zinc/29/93/85/557299385.db2.gz WEWGTNLYZJXJIZ-UHFFFAOYSA-N 0 0 449.842 1.878 50 0 IDAARN O=C(CN1CCN([C@@H](C(=O)N2CCOCC2)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000084519421 557309553 /nfs/dbraw/zinc/30/95/53/557309553.db2.gz VSGBUCMQTNXSTR-HSZRJFAPSA-N 0 0 440.519 1.982 50 0 IDAARN O=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CCN1CCOCC1 ZINC000095461818 557314767 /nfs/dbraw/zinc/31/47/67/557314767.db2.gz FAHQJWOEQZIOGC-UHFFFAOYSA-N 0 0 427.748 1.418 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CCN(C(=O)C2CC2)CC1 ZINC000014190319 557315189 /nfs/dbraw/zinc/31/51/89/557315189.db2.gz PJKJIRNRWPNXTN-UHFFFAOYSA-N 0 0 425.576 1.546 50 0 IDAARN O=C(NCCNc1ncccn1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000032913201 557317427 /nfs/dbraw/zinc/31/74/27/557317427.db2.gz MJDFKOHACJIHCP-UHFFFAOYSA-N 0 0 425.461 1.384 50 0 IDAARN CCOC(=O)c1nc(CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cs1 ZINC000032913429 557318166 /nfs/dbraw/zinc/31/81/66/557318166.db2.gz OKYPJNAVEDAARU-UHFFFAOYSA-N 0 0 428.536 1.821 50 0 IDAARN COc1cc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O ZINC000032968044 557319423 /nfs/dbraw/zinc/31/94/23/557319423.db2.gz CXSCKIMBPWTPLV-NDENLUEZSA-N 0 0 449.488 1.892 50 0 IDAARN CCCCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000102343689 557319459 /nfs/dbraw/zinc/31/94/59/557319459.db2.gz CRQBEVVAPBSRIF-GASCZTMLSA-N 0 0 447.536 1.227 50 0 IDAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)nnn3C(C)C)cc1 ZINC000033023895 557321250 /nfs/dbraw/zinc/32/12/50/557321250.db2.gz DRCVFULVJBTQEN-UHFFFAOYSA-N 0 0 431.518 1.958 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OC ZINC000102433179 557322494 /nfs/dbraw/zinc/32/24/94/557322494.db2.gz CEGPBAXRSWZXAA-BORJPKMPSA-N 0 0 426.535 1.802 50 0 IDAARN O=C(Cn1c(=O)[nH]c2c(-c3ccc(F)cc3)c[nH]c2c1=O)NCc1ccc2c(c1)OCO2 ZINC000102434888 557322514 /nfs/dbraw/zinc/32/25/14/557322514.db2.gz BRSIMPANGQLVNU-UHFFFAOYSA-N 0 0 436.399 1.869 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000014239236 557328555 /nfs/dbraw/zinc/32/85/55/557328555.db2.gz FAERPQIMQZYLND-YQQAZPJKSA-N 0 0 438.546 1.994 50 0 IDAARN C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014246587 557329329 /nfs/dbraw/zinc/32/93/29/557329329.db2.gz KXLCNDFDNXLRDP-INIZCTEOSA-N 0 0 446.500 1.773 50 0 IDAARN CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2)no1 ZINC000033279453 557331369 /nfs/dbraw/zinc/33/13/69/557331369.db2.gz OIAFPMKCKIKBMO-CYBMUJFWSA-N 0 0 440.547 1.620 50 0 IDAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220676925 557363522 /nfs/dbraw/zinc/36/35/22/557363522.db2.gz PGFLOSLDUPJVFP-CQSZACIVSA-N 0 0 427.436 1.597 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)s1 ZINC000023500311 557364289 /nfs/dbraw/zinc/36/42/89/557364289.db2.gz SCKXSFZXDJPUCE-UHFFFAOYSA-N 0 0 443.934 1.694 50 0 IDAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 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/nfs/dbraw/zinc/40/14/95/557401495.db2.gz QHNUAZWNAPSBQV-SSSFQFABSA-N 0 0 437.445 1.030 50 0 IDAARN CCC[C@@H](C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 ZINC000004893616 557401928 /nfs/dbraw/zinc/40/19/28/557401928.db2.gz ANPZIIYGNUHSSW-OAHLLOKOSA-N 0 0 425.551 1.999 50 0 IDAARN CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccn(C(C)C)n3)cc2)CC1 ZINC000408520967 557413358 /nfs/dbraw/zinc/41/33/58/557413358.db2.gz DCWXDNSZRLTUQY-GOSISDBHSA-N 0 0 449.577 1.794 50 0 IDAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000103375259 557434799 /nfs/dbraw/zinc/43/47/99/557434799.db2.gz XIEJGDRMSRFXRB-KDURUIRLSA-N 0 0 442.516 1.997 50 0 IDAARN COCCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 ZINC000097943771 557453351 /nfs/dbraw/zinc/45/33/51/557453351.db2.gz QGZHXQNABJENEW-IBGZPJMESA-N 0 0 427.505 1.473 50 0 IDAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)C(=O)N1CCNC1=O ZINC000104860091 557462455 /nfs/dbraw/zinc/46/24/55/557462455.db2.gz 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QRTZLGQNPNAVFA-UHFFFAOYSA-N 0 0 426.516 1.984 50 0 IDAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1OC ZINC000012030644 557524006 /nfs/dbraw/zinc/52/40/06/557524006.db2.gz YLNQTEJYIDIKLM-MRXNPFEDSA-N 0 0 439.511 1.917 50 0 IDAARN COc1ccccc1CNC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031078 557524123 /nfs/dbraw/zinc/52/41/23/557524123.db2.gz RVZSCXOSGFYSSQ-OAHLLOKOSA-N 0 0 441.502 1.725 50 0 IDAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031472 557524457 /nfs/dbraw/zinc/52/44/57/557524457.db2.gz QBGPQHZXJITYPU-CYBMUJFWSA-N 0 0 441.458 1.768 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCO[C@H]2CNC(=O)C(=O)NCCCc2ccccc2)cc1 ZINC000012080773 557527471 /nfs/dbraw/zinc/52/74/71/557527471.db2.gz WGJGYQWDIOELAO-FQEVSTJZSA-N 0 0 445.541 1.207 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2OCCN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000012080708 557527499 /nfs/dbraw/zinc/52/74/99/557527499.db2.gz FUYDQAYNQRVTGC-IBGZPJMESA-N 0 0 445.903 1.622 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)c(OC)c1 ZINC000044837188 557538862 /nfs/dbraw/zinc/53/88/62/557538862.db2.gz GRCBHBRTJZOGTL-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(OC)c(OC)c2)c1=O ZINC000044841155 557539595 /nfs/dbraw/zinc/53/95/95/557539595.db2.gz WGYRBYUBPPYKPL-UHFFFAOYSA-N 0 0 441.484 1.533 50 0 IDAARN COC(=O)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1cccnc1 ZINC000108169767 557541807 /nfs/dbraw/zinc/54/18/07/557541807.db2.gz MUVXZKLWJNOJTN-NVXWUHKLSA-N 0 0 437.543 1.883 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCCc3ccc(C)cc3)n2)nn(-c2ccccc2)c1=O ZINC000045945654 557553871 /nfs/dbraw/zinc/55/38/71/557553871.db2.gz IJPOIJFOJHMACW-UHFFFAOYSA-N 0 0 446.467 1.745 50 0 IDAARN CCc1ccc(CNC(=O)c2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)cc1 ZINC000045945799 557554280 /nfs/dbraw/zinc/55/42/80/557554280.db2.gz DLEXFALUOCLUEO-UHFFFAOYSA-N 0 0 432.440 1.474 50 0 IDAARN CCOc1ccccc1CNC(=O)c1nc(-c2nn(-c3ccccc3)c(=O)n(C)c2=O)no1 ZINC000045945792 557554287 /nfs/dbraw/zinc/55/42/87/557554287.db2.gz YGBSBGUAJAWDNG-UHFFFAOYSA-N 0 0 448.439 1.310 50 0 IDAARN COc1cccc(CNC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1OC ZINC000045970466 557557823 /nfs/dbraw/zinc/55/78/23/557557823.db2.gz QCVHBYAIQOUAAA-UHFFFAOYSA-N 0 0 445.501 1.023 50 0 IDAARN O=C(Cn1cnc2nc(N3CCOCC3)sc2c1=O)NCCc1ccc(Cl)cc1 ZINC000045970472 557557943 /nfs/dbraw/zinc/55/79/43/557557943.db2.gz OTKIAPVZNWXZLG-UHFFFAOYSA-N 0 0 433.921 1.702 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000040094603 557690532 /nfs/dbraw/zinc/69/05/32/557690532.db2.gz UAAFIVLSLULMOC-UHFFFAOYSA-N 0 0 436.442 1.332 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](c2nccn2C)c2ccccc2F)CC1 ZINC000040155835 557706098 /nfs/dbraw/zinc/70/60/98/557706098.db2.gz GETKABDOPLFBQW-MRXNPFEDSA-N 0 0 425.486 1.257 50 0 IDAARN COc1cc(C(=O)NCC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)cc(OC)c1OC ZINC000225526308 557736330 /nfs/dbraw/zinc/73/63/30/557736330.db2.gz NQSUJSZYWXWVIT-MRXNPFEDSA-N 0 0 445.520 1.269 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnc(Cl)c1Cl ZINC000225576250 557745578 /nfs/dbraw/zinc/74/55/78/557745578.db2.gz PUKWRAXIQFMCJG-UHFFFAOYSA-N 0 0 449.316 1.858 50 0 IDAARN CNS(=O)(=O)c1ccc(CNC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)s1 ZINC000225702910 557766725 /nfs/dbraw/zinc/76/67/25/557766725.db2.gz RSTHJRNJHZBGSQ-AWEZNQCLSA-N 0 0 425.429 1.828 50 0 IDAARN CNC(=O)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c1 ZINC000225722714 557768716 /nfs/dbraw/zinc/76/87/16/557768716.db2.gz HWDQUZUDXDWSGA-CYBMUJFWSA-N 0 0 444.513 1.125 50 0 IDAARN Cc1c(NC(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(=O)n(-c2ccccc2)n1C ZINC000225851377 557785250 /nfs/dbraw/zinc/78/52/50/557785250.db2.gz YCDUSUBHLUHABW-UHFFFAOYSA-N 0 0 431.493 1.588 50 0 IDAARN O=C(NCCc1ccccc1)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000040556270 557785480 /nfs/dbraw/zinc/78/54/80/557785480.db2.gz JXRDBTWEFGPTRB-KRWDZBQOSA-N 0 0 434.539 1.880 50 0 IDAARN CCN(C(=O)[C@@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 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Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2cccnc2)cc1 ZINC000009715275 562975978 /nfs/dbraw/zinc/97/59/78/562975978.db2.gz TYYQUCDDLYPTED-IBGZPJMESA-N 0 0 444.557 1.756 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2ccncc2)cc1 ZINC000009715277 562976006 /nfs/dbraw/zinc/97/60/06/562976006.db2.gz WOAITJKYWZUANR-LJQANCHMSA-N 0 0 444.557 1.756 50 0 IDAARN CC(C)CN(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009792299 562976905 /nfs/dbraw/zinc/97/69/05/562976905.db2.gz LKKCUGRZMFSWHR-IERDGZPVSA-N 0 0 433.530 1.052 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 ZINC000009806711 562977083 /nfs/dbraw/zinc/97/70/83/562977083.db2.gz QMAINLHKFACPGX-MRXNPFEDSA-N 0 0 435.477 1.742 50 0 IDAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O ZINC000009982176 562978154 /nfs/dbraw/zinc/97/81/54/562978154.db2.gz JUQNTOPVXXTLDZ-APBUJDDRSA-N 0 0 426.395 1.659 50 0 IDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O ZINC000009982172 562978172 /nfs/dbraw/zinc/97/81/72/562978172.db2.gz JUQNTOPVXXTLDZ-GIGQVBGESA-N 0 0 426.395 1.659 50 0 IDAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCOc2cccnc2)cc1 ZINC000011938366 562979964 /nfs/dbraw/zinc/97/99/64/562979964.db2.gz SSEKDAVXBHDYSY-OAQYLSRUSA-N 0 0 426.517 1.756 50 0 IDAARN COc1ccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc1OC ZINC000012080473 562980808 /nfs/dbraw/zinc/98/08/08/562980808.db2.gz GFLORGUQLQZLDR-UHFFFAOYSA-N 0 0 432.381 1.186 50 0 biogenic IDAARN C[C@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012998978 562983803 /nfs/dbraw/zinc/98/38/03/562983803.db2.gz OTJHPPYDFRQIFX-ZDUSSCGKSA-N 0 0 448.497 1.997 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1C ZINC000013006300 562983986 /nfs/dbraw/zinc/98/39/86/562983986.db2.gz UQJITIGPZARKFT-PXNSSMCTSA-N 0 0 437.587 1.590 50 0 IDAARN COc1ccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000013010763 562984092 /nfs/dbraw/zinc/98/40/92/562984092.db2.gz GUYLAWVAHFZLDD-HNNXBMFYSA-N 0 0 439.468 1.916 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 ZINC000013108016 562984391 /nfs/dbraw/zinc/98/43/91/562984391.db2.gz ZNDWTIRYSIBARN-MRXNPFEDSA-N 0 0 447.513 1.261 50 0 IDAARN OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000013611539 562997875 /nfs/dbraw/zinc/99/78/75/562997875.db2.gz TUGMXIURLRAWSS-UMCMBGNQSA-N 0 0 447.495 1.682 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000015614982 563018017 /nfs/dbraw/zinc/01/80/17/563018017.db2.gz NUSZIZAIFCIXLV-ZDUSSCGKSA-N 0 0 447.351 1.919 50 0 IDAARN COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000015936360 563018781 /nfs/dbraw/zinc/01/87/81/563018781.db2.gz YYILAEOMXYKIPT-OAHLLOKOSA-N 0 0 445.541 1.978 50 0 IDAARN COc1ccc(CNC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1 ZINC000015936341 563018784 /nfs/dbraw/zinc/01/87/84/563018784.db2.gz RFGLUFXPQLAMTD-UHFFFAOYSA-N 0 0 443.323 1.420 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(NCc3cccnc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000037866247 563095890 /nfs/dbraw/zinc/09/58/90/563095890.db2.gz UVUCPMGCGBBZTN-MRXNPFEDSA-N 0 0 436.472 1.179 50 0 IDAARN CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Br)s3)n[nH]2)CC1 ZINC000095476247 563180602 /nfs/dbraw/zinc/18/06/02/563180602.db2.gz BIZFDWPNKGHOOS-UHFFFAOYSA-N 0 0 448.368 1.465 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030239 568625140 /nfs/dbraw/zinc/62/51/40/568625140.db2.gz CNGLGZASGFTKSB-INIZCTEOSA-N 0 0 437.495 1.306 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000012029837 568625227 /nfs/dbraw/zinc/62/52/27/568625227.db2.gz BQCNGFUKMBXTOO-GOSISDBHSA-N 0 0 436.511 1.858 50 0 IDAARN COc1cc(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC ZINC000025380350 568655508 /nfs/dbraw/zinc/65/55/08/568655508.db2.gz DVEDEVNIRQGIQP-UHFFFAOYSA-N 0 0 442.424 1.663 50 0 IDAARN O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001088011 568657776 /nfs/dbraw/zinc/65/77/76/568657776.db2.gz KHZXDZUEOGYJSA-UHFFFAOYSA-N 0 0 449.554 1.710 50 0 IDAARN CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCC(N)=O)c(OC)c3)CC2)cc1 ZINC000025468120 568660627 /nfs/dbraw/zinc/66/06/27/568660627.db2.gz NXZVOSHJWSOFDJ-UHFFFAOYSA-N 0 0 425.485 1.720 50 0 IDAARN O=S(=O)(c1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000001135967 568662073 /nfs/dbraw/zinc/66/20/73/568662073.db2.gz ZKKJWKDVEIBNDM-UHFFFAOYSA-N 0 0 449.959 1.592 50 0 IDAARN CCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccn(C)c3=O)CC2)cc1C ZINC000043959954 568744515 /nfs/dbraw/zinc/74/45/15/568744515.db2.gz FMCKHWDBVRZJTA-UHFFFAOYSA-N 0 0 447.557 1.923 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(C)c1ccccc1 ZINC000003361223 568747207 /nfs/dbraw/zinc/74/72/07/568747207.db2.gz WHDAVRAATZQQMG-UHFFFAOYSA-N 0 0 432.498 1.836 50 0 IDAARN O=C(NCCN1CCN(C(=O)c2ccc3nsnc3c2)CC1)c1ccc2c(c1)OCO2 ZINC000044227099 568750171 /nfs/dbraw/zinc/75/01/71/568750171.db2.gz OQVGXLCTJZZZQA-UHFFFAOYSA-N 0 0 439.497 1.608 50 0 IDAARN CC(=O)N[C@@H](CC(C)C)C(=O)N1CCOc2ccc(CN3CCN(C(C)=O)CC3)cc2C1 ZINC000299788856 568757759 /nfs/dbraw/zinc/75/77/59/568757759.db2.gz WNOJAAZOKUMSHX-QFIPXVFZSA-N 0 0 444.576 1.623 50 0 IDAARN COc1c2c(c(S(=O)(=O)N3CCc4ccccc4C3)c3c1C(=O)N(C)CC3)OCO2 ZINC000263586192 568759313 /nfs/dbraw/zinc/75/93/13/568759313.db2.gz RCTNUFJFFMFBNH-UHFFFAOYSA-N 0 0 430.482 1.799 50 0 biogenic IDAARN O=C(CC1(n2cccc2)CCOCC1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000263587129 568760269 /nfs/dbraw/zinc/76/02/69/568760269.db2.gz COLZLKQWLYNNPK-UHFFFAOYSA-N 0 0 438.594 1.649 50 0 IDAARN COC(=O)c1cn(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc2c(=O)[nH]nc1-2 ZINC000263588114 568760958 /nfs/dbraw/zinc/76/09/58/568760958.db2.gz PHDDBQFCBUAUHR-UHFFFAOYSA-N 0 0 430.486 1.490 50 0 IDAARN NS(=O)(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000015391504 568761701 /nfs/dbraw/zinc/76/17/01/568761701.db2.gz JFAOLMHFWPMKBZ-UHFFFAOYSA-N 0 0 443.503 1.885 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1sccc1C(N)=O ZINC000015400439 568761934 /nfs/dbraw/zinc/76/19/34/568761934.db2.gz GKIALZORJVDTFW-UHFFFAOYSA-N 0 0 436.559 1.879 50 0 IDAARN COc1cccc(-c2cc3n(n2)[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)CNC3=O)c1 ZINC000263615012 568775784 /nfs/dbraw/zinc/77/57/84/568775784.db2.gz ADSUPTKBIOBMGH-HXUWFJFHSA-N 0 0 441.513 1.280 50 0 IDAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)c12 ZINC000025739932 568779279 /nfs/dbraw/zinc/77/92/79/568779279.db2.gz KXRDUENLDNXDKP-UHFFFAOYSA-N 0 0 447.492 1.902 50 0 IDAARN COc1cc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC ZINC000032106570 568781285 /nfs/dbraw/zinc/78/12/85/568781285.db2.gz ZEPQLEBGRBXMOB-CQSZACIVSA-N 0 0 427.457 1.820 50 0 IDAARN CCc1cccc(C)c1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000083827670 568782638 /nfs/dbraw/zinc/78/26/38/568782638.db2.gz VPGYPKMVVWHWBJ-MRXNPFEDSA-N 0 0 429.564 1.224 50 0 IDAARN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000083843882 568782839 /nfs/dbraw/zinc/78/28/39/568782839.db2.gz HGYOJXCRMNTLKP-INIZCTEOSA-N 0 0 430.404 1.879 50 0 IDAARN COc1ccc(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000015567437 568798135 /nfs/dbraw/zinc/79/81/35/568798135.db2.gz PCLVRZAGUCWMSC-UHFFFAOYSA-N 0 0 446.485 1.067 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1nnc2ccccc2c1=O ZINC000084773999 568801344 /nfs/dbraw/zinc/80/13/44/568801344.db2.gz QZLLBYIQXFMFQB-UHFFFAOYSA-N 0 0 441.513 1.411 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000015678591 568805214 /nfs/dbraw/zinc/80/52/14/568805214.db2.gz PPNCNSHYFRCWNL-UHFFFAOYSA-N 0 0 443.481 1.964 50 0 IDAARN CSc1ccc(CCNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 ZINC000015732762 568815510 /nfs/dbraw/zinc/81/55/10/568815510.db2.gz KLMYIXIIUIOEDW-UHFFFAOYSA-N 0 0 431.543 1.682 50 0 IDAARN COc1cccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)c1 ZINC000015733909 568815989 /nfs/dbraw/zinc/81/59/89/568815989.db2.gz PDTMWSUUNJUGOG-UHFFFAOYSA-N 0 0 430.486 1.831 50 0 IDAARN COc1cc(-c2c3c(=O)[nH]n(C(C)C)c3nc3[nH]c(=O)n(C)c32)c(OC)c2c1OCO2 ZINC000085412523 568818452 /nfs/dbraw/zinc/81/84/52/568818452.db2.gz YOLDNJNTBARJSC-UHFFFAOYSA-N 0 0 427.417 1.898 50 0 IDAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cn2)CC1 ZINC000015767111 568821409 /nfs/dbraw/zinc/82/14/09/568821409.db2.gz DEMUMIDMTASGHY-UHFFFAOYSA-N 0 0 449.552 1.792 50 0 IDAARN COc1ccc(CCNC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc1OC ZINC000015766648 568821520 /nfs/dbraw/zinc/82/15/20/568821520.db2.gz JAFXMPHSCDSPGU-UHFFFAOYSA-N 0 0 436.534 1.434 50 0 IDAARN NC(=O)Cn1c2ccsc2c(=O)n(CC2CCC(C(=O)N3CCCCCC3)CC2)c1=O ZINC000015770575 568822373 /nfs/dbraw/zinc/82/23/73/568822373.db2.gz LSTDOLJPZUZEKG-UHFFFAOYSA-N 0 0 446.573 1.919 50 0 IDAARN CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(CC)cn3)C2)s1 ZINC000015777585 568824675 /nfs/dbraw/zinc/82/46/75/568824675.db2.gz RXPFFLOANITVDQ-NSHDSACASA-N 0 0 430.581 1.906 50 0 IDAARN CN(CC(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000085650832 568830874 /nfs/dbraw/zinc/83/08/74/568830874.db2.gz UILYQJMUKFHEHK-UHFFFAOYSA-N 0 0 434.474 1.239 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000085650821 568830958 /nfs/dbraw/zinc/83/09/58/568830958.db2.gz WVFHEMSLNBNOIC-UHFFFAOYSA-N 0 0 426.445 1.788 50 0 IDAARN COC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccccc1 ZINC000001516870 568839908 /nfs/dbraw/zinc/83/99/08/568839908.db2.gz JZVXXKCISRTHDW-VZVUQDNOSA-N 0 0 448.500 1.160 50 0 IDAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000015824213 568840350 /nfs/dbraw/zinc/84/03/50/568840350.db2.gz LZQFYHUZWGFLFM-UHFFFAOYSA-N 0 0 444.473 1.330 50 0 IDAARN COc1cnc(CSc2nnnn2C)cc1OCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000015824262 568840416 /nfs/dbraw/zinc/84/04/16/568840416.db2.gz WPAOFMFFCXFUBF-UHFFFAOYSA-N 0 0 443.489 1.882 50 0 IDAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O ZINC000034695290 568842395 /nfs/dbraw/zinc/84/23/95/568842395.db2.gz SNFAMLWBYDUMBA-JVPBZIDWSA-N 0 0 430.457 1.268 50 0 IDAARN O=C(CCCn1nnc2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000035213209 568842716 /nfs/dbraw/zinc/84/27/16/568842716.db2.gz ITEJHYOAFACITD-UHFFFAOYSA-N 0 0 435.484 1.645 50 0 IDAARN Cn1c2ncn(CC(=O)OCCOc3ccc(-c4ccccc4)cc3)c2c(=O)n(C)c1=O ZINC000045068807 568843352 /nfs/dbraw/zinc/84/33/52/568843352.db2.gz HLXWIYJWBZKZFN-UHFFFAOYSA-N 0 0 434.452 1.723 50 0 IDAARN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000015866078 568850677 /nfs/dbraw/zinc/85/06/77/568850677.db2.gz REUAYIDWSGIWTR-UHFFFAOYSA-N 0 0 444.557 1.840 50 0 IDAARN COc1ccc(Cl)cc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CCCO)c(=O)n1C ZINC000006177673 568852491 /nfs/dbraw/zinc/85/24/91/568852491.db2.gz GGTLGDXXFXBLMI-UHFFFAOYSA-N 0 0 431.880 1.800 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(ncc(C)c2OC)n(C)c1=O ZINC000015880290 568853869 /nfs/dbraw/zinc/85/38/69/568853869.db2.gz MRGUGEWPFWUWNO-UHFFFAOYSA-N 0 0 426.429 1.228 50 0 IDAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(OC)cc1 ZINC000015883769 568857995 /nfs/dbraw/zinc/85/79/95/568857995.db2.gz KVKHOSUGCLBKGC-UHFFFAOYSA-N 0 0 430.486 1.518 50 0 IDAARN COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2nnnn2C)cc1=O ZINC000015883878 568858120 /nfs/dbraw/zinc/85/81/20/568858120.db2.gz YRVZBVRUKHASBH-UHFFFAOYSA-N 0 0 443.489 1.270 50 0 IDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@]21C(=O)Nc2c1cccc2C ZINC000015956651 568859966 /nfs/dbraw/zinc/85/99/66/568859966.db2.gz PPCAFGJIMNCBIO-IPROKWSXSA-N 0 0 435.480 1.305 50 0 biogenic IDAARN Cc1cc(C)n2nc(C(=O)N3CCC(N4c5ccccc5N(C)S4(=O)=O)CC3)nc2n1 ZINC000575414213 568861002 /nfs/dbraw/zinc/86/10/02/568861002.db2.gz SUTWLEJLZFMBJY-UHFFFAOYSA-N 0 0 441.517 1.547 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969311 568861449 /nfs/dbraw/zinc/86/14/49/568861449.db2.gz SEVGYGLCWSWWEZ-XVIHEJCXSA-N 0 0 446.507 1.142 50 0 biogenic IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969314 568861539 /nfs/dbraw/zinc/86/15/39/568861539.db2.gz SEVGYGLCWSWWEZ-NRGSMNHXSA-N 0 0 446.507 1.142 50 0 biogenic IDAARN COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000012944441 568870472 /nfs/dbraw/zinc/87/04/72/568870472.db2.gz BVPSARFAIYDZBC-UHFFFAOYSA-N 0 0 428.507 1.966 50 0 IDAARN O=C(NCCn1nc(-c2cccs2)ccc1=O)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000575608116 568878463 /nfs/dbraw/zinc/87/84/63/568878463.db2.gz DNVVMPVMNMYYKR-UHFFFAOYSA-N 0 0 448.512 1.200 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NCc3nnc4n3CC[C@@H](C(F)(F)F)C4)ccc2N1 ZINC000575609055 568878656 /nfs/dbraw/zinc/87/86/56/568878656.db2.gz XZVPCKHUIXRYCA-LLVKDONJSA-N 0 0 429.424 1.766 50 0 IDAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(Cc5ccccn5)CC4)C3)ncn2)n1 ZINC000575609718 568878883 /nfs/dbraw/zinc/87/88/83/568878883.db2.gz OMJIUDURQZZFKS-UHFFFAOYSA-N 0 0 432.532 1.455 50 0 IDAARN CCn1cc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(=O)c2ccc(C)nc21 ZINC000575609956 568878940 /nfs/dbraw/zinc/87/89/40/568878940.db2.gz CPENTAYFORZALC-UHFFFAOYSA-N 0 0 445.487 1.058 50 0 IDAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O ZINC000575613823 568879825 /nfs/dbraw/zinc/87/98/25/568879825.db2.gz WEXBTADQNYTQOM-GFCCVEGCSA-N 0 0 437.449 1.639 50 0 IDAARN O=C(CCn1cnc2ccccc2c1=O)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000575614979 568881155 /nfs/dbraw/zinc/88/11/55/568881155.db2.gz AROGGYDHEFFZTP-UHFFFAOYSA-N 0 0 446.467 1.461 50 0 IDAARN Cn1c(=O)n(C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc1C(F)(F)F ZINC000575615281 568881326 /nfs/dbraw/zinc/88/13/26/568881326.db2.gz NGLUSCSZSOGWBX-UHFFFAOYSA-N 0 0 441.410 1.647 50 0 IDAARN Cn1cc(-c2cncc(CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2)cn1 ZINC000575617741 568881962 /nfs/dbraw/zinc/88/19/62/568881962.db2.gz ZUXUNOUOXALZJA-UHFFFAOYSA-N 0 0 425.470 1.614 50 0 IDAARN O=C(Cn1nc(C2CC2)ccc1=O)NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1 ZINC000575618512 568882024 /nfs/dbraw/zinc/88/20/24/568882024.db2.gz BVBOPTDPURPQEA-UHFFFAOYSA-N 0 0 449.446 1.560 50 0 IDAARN Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)Cc3ccccc32)cn1 ZINC000575618170 568882104 /nfs/dbraw/zinc/88/21/04/568882104.db2.gz DYAWDAKJXYWQKH-HXUWFJFHSA-N 0 0 426.498 1.621 50 0 IDAARN C[C@H](C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)n1nc(C2CC2)ccc1=O ZINC000575621616 568883230 /nfs/dbraw/zinc/88/32/30/568883230.db2.gz ZSAJUOMEPVUGJG-CQSZACIVSA-N 0 0 437.500 1.576 50 0 IDAARN COc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)c2=O)cc1 ZINC000575621395 568883246 /nfs/dbraw/zinc/88/32/46/568883246.db2.gz WPKKSZGDHKIGEB-UHFFFAOYSA-N 0 0 448.483 1.577 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CCCCC3)CC2)cc1C ZINC000035500513 568886472 /nfs/dbraw/zinc/88/64/72/568886472.db2.gz JFUTVJULSHVOQH-UHFFFAOYSA-N 0 0 436.578 1.768 50 0 IDAARN NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)cc1 ZINC000090607898 568890367 /nfs/dbraw/zinc/89/03/67/568890367.db2.gz ZUDVGBDKBCDVRC-UHFFFAOYSA-N 0 0 439.501 1.225 50 0 IDAARN O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000090612728 568892361 /nfs/dbraw/zinc/89/23/61/568892361.db2.gz JOSANOSBZRRDTF-QGZVFWFLSA-N 0 0 437.452 1.429 50 0 IDAARN C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012985014 568895379 /nfs/dbraw/zinc/89/53/79/568895379.db2.gz IKQGRYYSSGGSAT-CYBMUJFWSA-N 0 0 444.473 1.097 50 0 IDAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCCc1csc(-n2cccn2)n1 ZINC000090703368 568896829 /nfs/dbraw/zinc/89/68/29/568896829.db2.gz QLBUHNCSUYAZCG-CYBMUJFWSA-N 0 0 428.543 1.770 50 0 IDAARN Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C ZINC000006444971 568907232 /nfs/dbraw/zinc/90/72/32/568907232.db2.gz DHLDDMBZBQKGNE-UHFFFAOYSA-N 0 0 434.294 1.081 50 0 IDAARN COCCN1C(=O)C(=C(C)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)NC1=S ZINC000105209733 568908739 /nfs/dbraw/zinc/90/87/39/568908739.db2.gz WVKAGLOUJUHOIU-NTCAYCPXSA-N 0 0 429.502 1.060 50 0 IDAARN Cc1cccc(N2CCN(C(=O)CCCC[C@@H]3[C@@H]4NC(=O)N[C@H]4CS3(=O)=O)CC2)c1C ZINC000245236990 568913040 /nfs/dbraw/zinc/91/30/40/568913040.db2.gz AKQRRVNRROUZTE-FBBABVLZSA-N 0 0 448.589 1.359 50 0 IDAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H]3C=CS(=O)(=O)C3)CC2)cc1 ZINC000245256872 568914106 /nfs/dbraw/zinc/91/41/06/568914106.db2.gz UJZNHPROQLJDSV-ULQDDVLXSA-N 0 0 426.560 1.507 50 0 IDAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000245257433 568914152 /nfs/dbraw/zinc/91/41/52/568914152.db2.gz ZUCFXFUGGHQVNO-BRWVUGGUSA-N 0 0 428.576 1.383 50 0 IDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000245325266 568915097 /nfs/dbraw/zinc/91/50/97/568915097.db2.gz DOUIWKYWWJPRLI-OJNZNAPVSA-N 0 0 439.899 1.950 50 0 IDAARN CC(C)[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026753615 568916407 /nfs/dbraw/zinc/91/64/07/568916407.db2.gz LRYJBEBKYXHCFD-AWEZNQCLSA-N 0 0 436.456 1.231 50 0 IDAARN CCOC(=O)CCN(Cc1cccnc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000064361076 568919872 /nfs/dbraw/zinc/91/98/72/568919872.db2.gz JKMGRLQVGMBGEE-HSZRJFAPSA-N 0 0 438.484 1.831 50 0 IDAARN CCOC(=O)C1=C(CN2Cc3ccccc3C[C@@H]2C(=O)NC)NC(=O)N[C@@H]1c1ccco1 ZINC000026917323 568924630 /nfs/dbraw/zinc/92/46/30/568924630.db2.gz LDAZPUDDUJMEIJ-YLJYHZDGSA-N 0 0 438.484 1.624 50 0 IDAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cccnc3N3CCCC3)C2)cc1 ZINC000089453888 568925303 /nfs/dbraw/zinc/92/53/03/568925303.db2.gz MTJHXZGRIDKPKK-UHFFFAOYSA-N 0 0 431.518 1.885 50 0 IDAARN CCN(CC)c1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000252623826 568926407 /nfs/dbraw/zinc/92/64/07/568926407.db2.gz PADNGDXLIIBAPP-UHFFFAOYSA-N 0 0 440.552 1.837 50 0 IDAARN COCCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064565633 568932440 /nfs/dbraw/zinc/93/24/40/568932440.db2.gz PCNJNOWFXUNCPV-UHFFFAOYSA-N 0 0 427.505 1.490 50 0 IDAARN Cn1c(=O)c(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc2cccnc21 ZINC000064578843 568934105 /nfs/dbraw/zinc/93/41/05/568934105.db2.gz IMBYDXGVUXVVLF-UHFFFAOYSA-N 0 0 442.317 1.982 50 0 IDAARN COCCNC(=O)NC1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000064579377 568934508 /nfs/dbraw/zinc/93/45/08/568934508.db2.gz PMKQHOGFLIEWJI-UHFFFAOYSA-N 0 0 436.516 1.754 50 0 IDAARN O=C1COc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1noc(C2CCC2)n1 ZINC000064605731 568939602 /nfs/dbraw/zinc/93/96/02/568939602.db2.gz ZMBNTIHVDNQEMX-UHFFFAOYSA-N 0 0 434.474 1.284 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3ccccc3F)c2=O)cc1 ZINC000036085246 568947741 /nfs/dbraw/zinc/94/77/41/568947741.db2.gz CMSDOPCJCKJSPW-QGZVFWFLSA-N 0 0 438.459 1.799 50 0 IDAARN O=C(NCc1ccccn1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2)c1=O ZINC000036085126 568947745 /nfs/dbraw/zinc/94/77/45/568947745.db2.gz GSXOGRZCKLAANP-UHFFFAOYSA-N 0 0 431.427 1.907 50 0 IDAARN Cc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3cccc(C)c3)c2=O)cc1 ZINC000036086655 568948986 /nfs/dbraw/zinc/94/89/86/568948986.db2.gz YHOBATVGLUWIPC-FQEVSTJZSA-N 0 0 434.496 1.968 50 0 IDAARN CCCn1c(=O)c(C(=O)N2CCC[C@H](C(=O)OCC)C2)nn(-c2cccc(C)c2)c1=O ZINC000036087130 568949318 /nfs/dbraw/zinc/94/93/18/568949318.db2.gz RWMZXBOHGGBFJY-INIZCTEOSA-N 0 0 428.489 1.528 50 0 IDAARN COc1cccc(-n2nc(C(=O)NCc3cccnc3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036087673 568949685 /nfs/dbraw/zinc/94/96/85/568949685.db2.gz IQVRQDJSIJBFPD-UHFFFAOYSA-N 0 0 443.463 1.776 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036088853 568949882 /nfs/dbraw/zinc/94/98/82/568949882.db2.gz RHDLZTAKXYFVCS-UHFFFAOYSA-N 0 0 440.475 1.965 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(CC)c2=O)C1 ZINC000036089137 568950280 /nfs/dbraw/zinc/95/02/80/568950280.db2.gz FGHYCZMLMLOHHM-CQSZACIVSA-N 0 0 448.907 1.791 50 0 IDAARN Cc1cc(C)cc(-n2nc(C(=O)N3CCN(C)CC3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093968 568950812 /nfs/dbraw/zinc/95/08/12/568950812.db2.gz OGXJMIUZEJBPPJ-UHFFFAOYSA-N 0 0 433.512 1.447 50 0 IDAARN COc1ccc(C(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c(C)c1 ZINC000064755604 568951161 /nfs/dbraw/zinc/95/11/61/568951161.db2.gz SHDKTSUYAOZKTL-UHFFFAOYSA-N 0 0 431.518 1.865 50 0 IDAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3ccc4nonc4c3)c(=O)n(C)c2n1 ZINC000064815000 568964120 /nfs/dbraw/zinc/96/41/20/568964120.db2.gz GIVYRQKNTZXHLQ-UHFFFAOYSA-N 0 0 434.456 1.614 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)C(C)C)CC1 ZINC000036158595 568966859 /nfs/dbraw/zinc/96/68/59/568966859.db2.gz HWPZCUYHPNYTQN-SFHVURJKSA-N 0 0 443.541 1.137 50 0 IDAARN Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCCCN1CCOCC1)c2=O ZINC000064842077 568970612 /nfs/dbraw/zinc/97/06/12/568970612.db2.gz UELNQHZRTBXGLW-UHFFFAOYSA-N 0 0 445.907 1.852 50 0 IDAARN CCOC[C@@H](O)CN(CCCOC)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000036206686 568972758 /nfs/dbraw/zinc/97/27/58/568972758.db2.gz FMLBKVRXFIVWFD-AWEZNQCLSA-N 0 0 441.550 1.706 50 0 IDAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ncccn4)CC3)ccc21 ZINC000064861845 568973915 /nfs/dbraw/zinc/97/39/15/568973915.db2.gz OLRMTCYSLJGYIC-UHFFFAOYSA-N 0 0 430.534 1.470 50 0 IDAARN COCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)C(C)C)CC1 ZINC000036210420 568974632 /nfs/dbraw/zinc/97/46/32/568974632.db2.gz RXPNUPJPZXNSDG-FQEVSTJZSA-N 0 0 433.549 1.841 50 0 IDAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)COC)CC1 ZINC000036211552 568975488 /nfs/dbraw/zinc/97/54/88/568975488.db2.gz OFHNNPYTEHWQEP-VBKZILBWSA-N 0 0 433.505 1.313 50 0 IDAARN Cc1ccc(CNC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3nccnc32)cc1 ZINC000064887715 568979098 /nfs/dbraw/zinc/97/90/98/568979098.db2.gz XFTJYXJSOGVEJW-UHFFFAOYSA-N 0 0 429.480 1.821 50 0 IDAARN Cc1ccc(CN2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)C(=O)C2=O)cc1 ZINC000064888654 568979553 /nfs/dbraw/zinc/97/95/53/568979553.db2.gz WQIRJKLRSUNDQU-UHFFFAOYSA-N 0 0 434.540 1.510 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1F ZINC000064889623 568980429 /nfs/dbraw/zinc/98/04/29/568980429.db2.gz OUICNABJIIVWDA-UHFFFAOYSA-N 0 0 447.488 1.920 50 0 IDAARN Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)c1 ZINC000064889592 568980444 /nfs/dbraw/zinc/98/04/44/568980444.db2.gz UZVUMDVCSOBKOY-UHFFFAOYSA-N 0 0 429.498 1.781 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)Cc3cccs3)CC1)O[C@@H](C)C(=O)N2 ZINC000064889744 568980559 /nfs/dbraw/zinc/98/05/59/568980559.db2.gz VZJUUDBEJFQJHR-AWEZNQCLSA-N 0 0 449.554 1.852 50 0 IDAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064889909 568980634 /nfs/dbraw/zinc/98/06/34/568980634.db2.gz HMRMSISJMLHQAQ-HNNXBMFYSA-N 0 0 445.497 1.318 50 0 IDAARN Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000064889894 568980637 /nfs/dbraw/zinc/98/06/37/568980637.db2.gz YNVRFTBKGSKNFZ-RMKNXTFCSA-N 0 0 441.509 1.872 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000064889899 568980638 /nfs/dbraw/zinc/98/06/38/568980638.db2.gz YIPDKEIPCOKGDT-UHFFFAOYSA-N 0 0 431.470 1.173 50 0 IDAARN Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1 ZINC000064890006 568980752 /nfs/dbraw/zinc/98/07/52/568980752.db2.gz WEBDVCOIVHRMKF-HNNXBMFYSA-N 0 0 429.498 1.861 50 0 IDAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000064890035 568980813 /nfs/dbraw/zinc/98/08/13/568980813.db2.gz DHAIZUOYTJFLJJ-AWEZNQCLSA-N 0 0 445.497 1.561 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cc2NC1=O ZINC000064890066 568980919 /nfs/dbraw/zinc/98/09/19/568980919.db2.gz IUKYHALPMCJTBW-CYBMUJFWSA-N 0 0 433.461 1.692 50 0 IDAARN Cn1c2ccc(-c3noc(CNC(=O)Cc4ccc(Cl)cc4)n3)cc2[nH]c(=O)c1=O ZINC000064890544 568981289 /nfs/dbraw/zinc/98/12/89/568981289.db2.gz PZALKCMGHQSXMN-UHFFFAOYSA-N 0 0 425.832 1.789 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)s1)N1CCOCC1 ZINC000064919871 568985479 /nfs/dbraw/zinc/98/54/79/568985479.db2.gz HCUBSYATVFLSPL-UHFFFAOYSA-N 0 0 436.559 1.055 50 0 IDAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc2NC1=O ZINC000064922002 568985812 /nfs/dbraw/zinc/98/58/12/568985812.db2.gz PCMLUIIWOHMIQQ-QGZVFWFLSA-N 0 0 437.518 1.056 50 0 IDAARN Cn1c(=O)cc(C(=O)N(Cc2cccs2)C2CCCC2)c2c(=O)n(C)c(=O)n(C)c21 ZINC000064925966 568986574 /nfs/dbraw/zinc/98/65/74/568986574.db2.gz ZZJTUUKIDFGXER-UHFFFAOYSA-N 0 0 428.514 1.582 50 0 IDAARN O=C(Cn1c2c3cccnc3sc2c(=O)n(C[C@H]2CCCO2)c1=O)NCc1ccco1 ZINC000064942056 568991280 /nfs/dbraw/zinc/99/12/80/568991280.db2.gz XRGDXDMOMBMKDI-CQSZACIVSA-N 0 0 440.481 1.861 50 0 IDAARN CCN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CCC3)n2)CC1 ZINC000064946968 568994984 /nfs/dbraw/zinc/99/49/84/568994984.db2.gz UOCKALTYCFIFRI-UHFFFAOYSA-N 0 0 447.517 1.620 50 0 IDAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2s1 ZINC000064947244 568995183 /nfs/dbraw/zinc/99/51/83/568995183.db2.gz REAUEMGBLVJTNG-UHFFFAOYSA-N 0 0 433.511 1.825 50 0 IDAARN COCCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1cccc(C)c1)C2 ZINC000064954947 568998206 /nfs/dbraw/zinc/99/82/06/568998206.db2.gz BIIBAFRGCDDLPD-HSZRJFAPSA-N 0 0 439.516 1.261 50 0 IDAARN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCC[C@H](C)N3CCOCC3)cc21 ZINC000064952310 568998375 /nfs/dbraw/zinc/99/83/75/568998375.db2.gz FVZIVOVMWORKOS-HNNXBMFYSA-N 0 0 427.592 1.924 50 0 IDAARN CC(=O)N1CCN(C(=O)c2cnc(N3CCN(c4ccccc4Cl)CC3)[nH]c2=O)CC1 ZINC000036314097 568998958 /nfs/dbraw/zinc/99/89/58/568998958.db2.gz WKBZXXUJOHLLTC-UHFFFAOYSA-N 0 0 444.923 1.054 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000064957999 568999078 /nfs/dbraw/zinc/99/90/78/568999078.db2.gz NZHBIYVHQFSUCG-QGZVFWFLSA-N 0 0 449.552 1.792 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 ZINC000064957520 568999115 /nfs/dbraw/zinc/99/91/15/568999115.db2.gz CHRCGOFQPYLZDJ-UHFFFAOYSA-N 0 0 449.552 1.792 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3Nc4cc(F)ccc4S(=O)(=O)N3)CC2)cc1 ZINC000064960066 569000231 /nfs/dbraw/zinc/00/02/31/569000231.db2.gz IWZSIAGPZSVQBZ-LJQANCHMSA-N 0 0 432.477 1.407 50 0 IDAARN CCOC(=O)Cn1c2c(nc(CC(C)C)nc2C(N)=O)n(-c2ccccc2OC)c1=O ZINC000064965794 569000945 /nfs/dbraw/zinc/00/09/45/569000945.db2.gz UQYVLHKUEFOXSZ-UHFFFAOYSA-N 0 0 427.461 1.451 50 0 IDAARN Cn1c(=O)c(C(=O)N2CCN(c3ccccc3F)CC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966807 569001501 /nfs/dbraw/zinc/00/15/01/569001501.db2.gz SZHVCURFFLQOEU-UHFFFAOYSA-N 0 0 443.866 1.686 50 0 IDAARN Cc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)n(C)c3=O)C[C@H]2C)c1 ZINC000064966980 569001595 /nfs/dbraw/zinc/00/15/95/569001595.db2.gz MAGBILPARMYSFZ-MRXNPFEDSA-N 0 0 437.475 1.730 50 0 IDAARN Cc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)c(=O)n(C)c3=O)C[C@@H]2C)c1 ZINC000064966978 569001639 /nfs/dbraw/zinc/00/16/39/569001639.db2.gz MAGBILPARMYSFZ-INIZCTEOSA-N 0 0 437.475 1.730 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CC(OCc4ccc(Cl)cc4)C3)cc2n(C)c(=O)c1=O ZINC000064968664 569001855 /nfs/dbraw/zinc/00/18/55/569001855.db2.gz QAWZDIGQVOABJZ-UHFFFAOYSA-N 0 0 449.916 1.480 50 0 IDAARN Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)N[C@@H](C)C(=O)N1CCCCC1)c2=O ZINC000064970800 569076411 /nfs/dbraw/zinc/07/64/11/569076411.db2.gz XSOOMAFVNGAOMV-INIZCTEOSA-N 0 0 436.516 1.716 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2C[C@@H]1C ZINC000169702062 569078139 /nfs/dbraw/zinc/07/81/39/569078139.db2.gz HBDIIQHVEKSJNN-LESCRADOSA-N 0 0 427.526 1.954 50 0 IDAARN Cc1nc(C)c(Cc2ccccc2)c(N2CCN(C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000036340443 569078636 /nfs/dbraw/zinc/07/86/36/569078636.db2.gz INHRSOUVDFZILH-JOCHJYFZSA-N 0 0 425.577 1.499 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000036357200 569084424 /nfs/dbraw/zinc/08/44/24/569084424.db2.gz ZGILMJUWGAMCHR-UHFFFAOYSA-N 0 0 438.396 1.696 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)CC2=O)cc1 ZINC000036357690 569085102 /nfs/dbraw/zinc/08/51/02/569085102.db2.gz NDSHCJSZPSXKKK-CYBMUJFWSA-N 0 0 427.486 1.227 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 ZINC000036358947 569085402 /nfs/dbraw/zinc/08/54/02/569085402.db2.gz IPHURRHPRZSWHX-UHFFFAOYSA-N 0 0 447.513 1.889 50 0 IDAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(CC(=O)N(C)C)CC3)c2c1 ZINC000036359624 569086465 /nfs/dbraw/zinc/08/64/65/569086465.db2.gz XCHDDYCIDCCIRV-FQEVSTJZSA-N 0 0 429.521 1.594 50 0 IDAARN CCn1nc(C)c(CNC(=O)c2nc(CC(=O)Nc3ccccc3C(=O)OC)no2)c1C ZINC000036365795 569086943 /nfs/dbraw/zinc/08/69/43/569086943.db2.gz CDNCKKVWBBUUMG-UHFFFAOYSA-N 0 0 440.460 1.801 50 0 IDAARN CCn1c(N2CCC[C@H](C(=O)NCc3cc(OC)cc(OC)c3)C2)cc(=O)n(C)c1=O ZINC000065024022 569089447 /nfs/dbraw/zinc/08/94/47/569089447.db2.gz SDGRATCLINRJIZ-INIZCTEOSA-N 0 0 430.505 1.117 50 0 IDAARN CCc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)NCCN2CCOCC2)n1 ZINC000065024920 569090300 /nfs/dbraw/zinc/09/03/00/569090300.db2.gz GFSZDIQFOAVTPV-UHFFFAOYSA-N 0 0 429.452 1.814 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)COc4ccccc4)CC3)cc2sc1=O ZINC000065032668 569091591 /nfs/dbraw/zinc/09/15/91/569091591.db2.gz GSZPHQJBUJNZCR-UHFFFAOYSA-N 0 0 447.538 1.512 50 0 IDAARN O=C(CCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc2c(c1)OCCCO2 ZINC000036384051 569092756 /nfs/dbraw/zinc/09/27/56/569092756.db2.gz LRKCCKZRMSLRQP-UHFFFAOYSA-N 0 0 429.517 1.577 50 0 IDAARN Cn1c(Cc2cccs2)nnc1SCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000036385500 569093028 /nfs/dbraw/zinc/09/30/28/569093028.db2.gz JEBXCRLRKYHKPA-UHFFFAOYSA-N 0 0 448.618 1.326 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCCN2CCCC2=O)CC1 ZINC000065061456 569096358 /nfs/dbraw/zinc/09/63/58/569096358.db2.gz ITDWFGJUGPZQNW-AWEZNQCLSA-N 0 0 440.566 1.457 50 0 IDAARN Cc1nn2c(nc(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc2=O)s1 ZINC000036395297 569098747 /nfs/dbraw/zinc/09/87/47/569098747.db2.gz LJQZPVQLWLKNED-UHFFFAOYSA-N 0 0 439.950 1.619 50 0 IDAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000065075773 569099745 /nfs/dbraw/zinc/09/97/45/569099745.db2.gz HFEVMMZIQDBCMF-OAHLLOKOSA-N 0 0 445.497 1.432 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)COc4ccccc4)CC3)cc2oc1=O ZINC000065075798 569099746 /nfs/dbraw/zinc/09/97/46/569099746.db2.gz REOATRMXUHLSJF-UHFFFAOYSA-N 0 0 431.470 1.043 50 0 IDAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000036398145 569101193 /nfs/dbraw/zinc/10/11/93/569101193.db2.gz ORKUIEFFEFIJNQ-KRWDZBQOSA-N 0 0 435.546 1.115 50 0 IDAARN Cc1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)cc2=O)s1 ZINC000036398275 569101295 /nfs/dbraw/zinc/10/12/95/569101295.db2.gz JIYCIUSMSRWPAT-UHFFFAOYSA-N 0 0 445.979 1.681 50 0 IDAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000036398566 569101412 /nfs/dbraw/zinc/10/14/12/569101412.db2.gz FXBRIWSYXNDEKC-RTBURBONSA-N 0 0 445.516 1.982 50 0 IDAARN CC1CCC(NC(=O)c2ccc(CN3C(=O)NC4(CCS(=O)(=O)CC4)C3=O)cc2)CC1 ZINC000169772503 569101660 /nfs/dbraw/zinc/10/16/60/569101660.db2.gz GKYGCCPXWCBJAM-UHFFFAOYSA-N 0 0 447.557 1.994 50 0 IDAARN Cn1nc(CC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc2c1=O ZINC000169775483 569101821 /nfs/dbraw/zinc/10/18/21/569101821.db2.gz JOGKOTKKQPUYFV-IBGZPJMESA-N 0 0 431.452 1.671 50 0 IDAARN Cc1cn2nc(C(=O)N3CCC(NC(=O)c4nccc5ccccc54)CC3)cc2c(=O)[nH]1 ZINC000169776999 569102302 /nfs/dbraw/zinc/10/23/02/569102302.db2.gz JHUCXHXOQCOEOU-UHFFFAOYSA-N 0 0 430.468 1.914 50 0 IDAARN CC(C)C[C@@H](C)NC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 ZINC000169780995 569103100 /nfs/dbraw/zinc/10/31/00/569103100.db2.gz GSSGFRFNHHWIRJ-OAHLLOKOSA-N 0 0 435.546 1.850 50 0 IDAARN O=C(NCc1cccs1)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 ZINC000169779313 569103179 /nfs/dbraw/zinc/10/31/79/569103179.db2.gz MEXOJSYUQXYMJS-UHFFFAOYSA-N 0 0 447.538 1.677 50 0 IDAARN O=C(c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1)N1CCCCCC1 ZINC000169779264 569103190 /nfs/dbraw/zinc/10/31/90/569103190.db2.gz OZBXCWVXDBRMGL-UHFFFAOYSA-N 0 0 433.530 1.702 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NCCOC)CC3)cc2oc1=O ZINC000065085974 569103222 /nfs/dbraw/zinc/10/32/22/569103222.db2.gz SXEFOPVMHVBWIP-UHFFFAOYSA-N 0 0 425.507 1.168 50 0 IDAARN O=C(Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O)NC1CCCC1 ZINC000065101359 569105384 /nfs/dbraw/zinc/10/53/84/569105384.db2.gz IOHXJGJXXDGHFT-UHFFFAOYSA-N 0 0 444.561 1.407 50 0 IDAARN COc1ccc(CNC(=O)Cn2nc3ccc(C(=O)NCc4ccccc4)cn3c2=O)cc1 ZINC000065100252 569105517 /nfs/dbraw/zinc/10/55/17/569105517.db2.gz YUNTWGQLJNHBAE-UHFFFAOYSA-N 0 0 445.479 1.751 50 0 IDAARN CCNC(=O)C1CCN(c2nc3ncn(CC(=O)Nc4ccccc4)c(=O)c3s2)CC1 ZINC000065101077 569105708 /nfs/dbraw/zinc/10/57/08/569105708.db2.gz KOUNHKAAWHSJJJ-UHFFFAOYSA-N 0 0 440.529 1.844 50 0 IDAARN O=C1[C@@H](N2CCCN(S(=O)(=O)c3cccc4nsnc43)CC2)CCN1CC1CC1 ZINC000169792370 569105818 /nfs/dbraw/zinc/10/58/18/569105818.db2.gz QFYPMARIZWKJDZ-INIZCTEOSA-N 0 0 435.575 1.399 50 0 IDAARN CC(C)CN1C(=O)CSc2cnn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21 ZINC000065132901 569109940 /nfs/dbraw/zinc/10/99/40/569109940.db2.gz OFKZMVYBUKJBAC-UHFFFAOYSA-N 0 0 430.486 1.748 50 0 IDAARN CCCNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1 ZINC000065152085 569111177 /nfs/dbraw/zinc/11/11/77/569111177.db2.gz XXZNHYBETZPUBR-UHFFFAOYSA-N 0 0 449.577 1.952 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)Cn2nc3c(N4CCSCC4)nccn3c2=O)cc1 ZINC000065151608 569111269 /nfs/dbraw/zinc/11/12/69/569111269.db2.gz AUMXSMJJPMWNAI-UHFFFAOYSA-N 0 0 427.490 1.041 50 0 IDAARN Cc1ccc(N2CCN(c3nccn4c(=O)n(CC(=O)NCCC(C)C)nc34)CC2)cc1 ZINC000065151825 569111429 /nfs/dbraw/zinc/11/14/29/569111429.db2.gz WVHMTHRFWRZIPS-UHFFFAOYSA-N 0 0 437.548 1.688 50 0 IDAARN CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)NCC2CC2)CC1 ZINC000065152070 569111497 /nfs/dbraw/zinc/11/14/97/569111497.db2.gz LUGMLAVNXHLQBF-UHFFFAOYSA-N 0 0 447.561 1.470 50 0 IDAARN COc1ccc(CNC(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2N)c(OC)c1 ZINC000065154778 569112322 /nfs/dbraw/zinc/11/23/22/569112322.db2.gz UKHLFHHFAAGHJK-UHFFFAOYSA-N 0 0 429.477 1.349 50 0 biogenic IDAARN COc1ccc(-n2nc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c(=O)cc2OC)cc1 ZINC000065198192 569114973 /nfs/dbraw/zinc/11/49/73/569114973.db2.gz YGYAPTXOJRDNPQ-UHFFFAOYSA-N 0 0 429.454 1.906 50 0 IDAARN COc1ccccc1OCC(=O)N1CCN(c2nc(CN3CCOCC3)cs2)CC1 ZINC000065200746 569115188 /nfs/dbraw/zinc/11/51/88/569115188.db2.gz FHXQKQSYBZVGGA-UHFFFAOYSA-N 0 0 432.546 1.712 50 0 IDAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)n21 ZINC000065196697 569115828 /nfs/dbraw/zinc/11/58/28/569115828.db2.gz HYVIPEKJMKMYRW-UHFFFAOYSA-N 0 0 447.474 1.749 50 0 IDAARN COc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)Cc4cccc(F)c4)C[C@@H](C2)O3)cc1 ZINC000065225115 569117766 /nfs/dbraw/zinc/11/77/66/569117766.db2.gz OSUZDBLNEODKOX-KDURUIRLSA-N 0 0 434.489 1.677 50 0 IDAARN NC(=O)c1ccc(NC(=O)C2CCN(c3cc(N4CCSCC4)ncn3)CC2)cc1 ZINC000065237080 569119644 /nfs/dbraw/zinc/11/96/44/569119644.db2.gz GEAZFXKVTJUHTK-UHFFFAOYSA-N 0 0 426.546 1.984 50 0 IDAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)cc1Cl ZINC000065237535 569119761 /nfs/dbraw/zinc/11/97/61/569119761.db2.gz JYUPFALKVVYNGK-UHFFFAOYSA-N 0 0 441.893 1.170 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc2c(c1)OCCO2 ZINC000065237466 569119782 /nfs/dbraw/zinc/11/97/82/569119782.db2.gz FRFZCFOBXCTLJF-UHFFFAOYSA-N 0 0 447.513 1.823 50 0 IDAARN O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCN(c2ccccn2)CC1 ZINC000036585725 569120123 /nfs/dbraw/zinc/12/01/23/569120123.db2.gz XTANPKPPKHKTDV-MRXNPFEDSA-N 0 0 437.456 1.174 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1)C(=O)OC ZINC000036589820 569121147 /nfs/dbraw/zinc/12/11/47/569121147.db2.gz ZUWJYCHFZLPDJI-VQIMIIECSA-N 0 0 430.461 1.570 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC)C(=O)OC ZINC000036594801 569121374 /nfs/dbraw/zinc/12/13/74/569121374.db2.gz RGJMHCAKKBGZKJ-BEFAXECRSA-N 0 0 430.461 1.570 50 0 IDAARN CCn1nc(C)n2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2c1=O ZINC000065247021 569121883 /nfs/dbraw/zinc/12/18/83/569121883.db2.gz LUIGJULWYVJMLF-UHFFFAOYSA-N 0 0 429.546 1.952 50 0 IDAARN COC(=O)Cn1c(SCc2cc(=O)[nH]c3c2c(C)nn3C)nc2ccccc2c1=O ZINC000036612131 569123592 /nfs/dbraw/zinc/12/35/92/569123592.db2.gz RDTXZJWRKJFBLB-UHFFFAOYSA-N 0 0 425.470 1.745 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000013127866 569125256 /nfs/dbraw/zinc/12/52/56/569125256.db2.gz PHBIAQWMNDWSPV-UHFFFAOYSA-N 0 0 444.513 1.398 50 0 IDAARN COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524730022 569125960 /nfs/dbraw/zinc/12/59/60/569125960.db2.gz RLEFMLGVDJMLTI-MRXNPFEDSA-N 0 0 446.456 1.029 50 0 biogenic IDAARN COc1cc([C@H](CC(=O)NCCN2CCOCC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731400 569126487 /nfs/dbraw/zinc/12/64/87/569126487.db2.gz WDQWGDYNKAXFCQ-INIZCTEOSA-N 0 0 432.473 1.338 50 0 biogenic IDAARN COc1cc([C@H](CC(=O)N[C@H]2C=CS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731794 569126600 /nfs/dbraw/zinc/12/66/00/569126600.db2.gz KQRGDAUIDRPQMW-KBPBESRZSA-N 0 0 435.454 1.317 50 0 biogenic IDAARN COc1ccc(N2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)C2=O)cc1 ZINC000524732111 569126716 /nfs/dbraw/zinc/12/67/16/569126716.db2.gz XVKQDGKHTCBIAM-LVFSCSRESA-N 0 0 440.500 1.370 50 0 biogenic IDAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000524734060 569128012 /nfs/dbraw/zinc/12/80/12/569128012.db2.gz RUCBHKZNVQOEMW-UHFFFAOYSA-N 0 0 428.470 1.671 50 0 IDAARN CCN1CCN(C(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)CC1 ZINC000065273818 569128234 /nfs/dbraw/zinc/12/82/34/569128234.db2.gz XTBFSARIMNMRCC-GOSISDBHSA-N 0 0 445.633 1.861 50 0 IDAARN C=C1C(N2CCC(NC(=O)N[C@H](C)C(=O)OCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271793 569128633 /nfs/dbraw/zinc/12/86/33/569128633.db2.gz KNHVSILJEBATQA-OAHLLOKOSA-N 0 0 448.545 1.875 50 0 IDAARN CCc1ccccc1S(=O)(=O)N1CCN([C@]2(CC)CCN(S(C)(=O)=O)C2)CC1 ZINC000065292217 569130730 /nfs/dbraw/zinc/13/07/30/569130730.db2.gz FHIWXTPBTGKDBI-LJQANCHMSA-N 0 0 429.608 1.369 50 0 IDAARN Cc1ccc(CNC(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccn3)CC2)o1 ZINC000065295787 569131509 /nfs/dbraw/zinc/13/15/09/569131509.db2.gz GUTBHSXTSALCCG-UHFFFAOYSA-N 0 0 432.488 1.766 50 0 IDAARN O=C(Cn1ncc2c1ncnc2N1CCN(c2ccccn2)CC1)NCc1ccccc1 ZINC000065295646 569131516 /nfs/dbraw/zinc/13/15/16/569131516.db2.gz YIZZETXDNVJDNW-UHFFFAOYSA-N 0 0 428.500 1.864 50 0 IDAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2C[C@@H]2CCCO2)c1=O)Nc1ccc(F)cc1 ZINC000065305455 569133132 /nfs/dbraw/zinc/13/31/32/569133132.db2.gz GWPWRFBTQPAZNP-AWEZNQCLSA-N 0 0 443.460 1.829 50 0 IDAARN CCOc1ccc(NC(=O)Cn2c(=O)c3c(cc(C)n3C)nc2N2CCOCC2)cc1 ZINC000065311150 569133697 /nfs/dbraw/zinc/13/36/97/569133697.db2.gz VPLCAFSTTQMERQ-UHFFFAOYSA-N 0 0 425.489 1.917 50 0 IDAARN CCOC(=O)CCNC(=O)NCCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000065315245 569133893 /nfs/dbraw/zinc/13/38/93/569133893.db2.gz XSINQFAWJLLSEP-UHFFFAOYSA-N 0 0 429.514 1.869 50 0 IDAARN CN(CC(=O)N(CCCN1CCOCC1)c1nc2c(cccc2F)s1)S(C)(=O)=O ZINC000036707108 569134719 /nfs/dbraw/zinc/13/47/19/569134719.db2.gz XFXDFXHUZWLNRB-UHFFFAOYSA-N 0 0 444.554 1.382 50 0 IDAARN Cc1ccc(CNC(=O)c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1 ZINC000065319219 569134818 /nfs/dbraw/zinc/13/48/18/569134818.db2.gz SLMUOFWTYZMOFF-UHFFFAOYSA-N 0 0 442.497 1.996 50 0 IDAARN CCN1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCCC4)cc3C(C)(C)C2=O)CC1 ZINC000065314779 569135636 /nfs/dbraw/zinc/13/56/36/569135636.db2.gz TYXOASPJBJSVTN-UHFFFAOYSA-N 0 0 448.589 1.259 50 0 IDAARN CN(CC(=O)N(CCN1CCOCC1)c1nc2c(cccc2Cl)s1)S(C)(=O)=O ZINC000036715761 569136792 /nfs/dbraw/zinc/13/67/92/569136792.db2.gz HLKFBXPMNMVYMW-UHFFFAOYSA-N 0 0 446.982 1.506 50 0 IDAARN CCOC(=O)c1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc(C(=O)OCC)c1 ZINC000036813861 569138207 /nfs/dbraw/zinc/13/82/07/569138207.db2.gz ZLJIGIZCFKGSPP-INIZCTEOSA-N 0 0 426.491 1.793 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3[C@H](C)COC[C@H]3C)C2)cc1 ZINC000239358468 569138895 /nfs/dbraw/zinc/13/88/95/569138895.db2.gz NJSGWSPPWVWJHU-OAGGEKHMSA-N 0 0 439.534 1.901 50 0 IDAARN CN(C(=O)CN1CCN(c2ncccn2)CC1)c1ccccc1C(=O)NCc1ccco1 ZINC000036988231 569139489 /nfs/dbraw/zinc/13/94/89/569139489.db2.gz ACOVMOSHJQCIOG-UHFFFAOYSA-N 0 0 434.500 1.785 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000239578932 569139610 /nfs/dbraw/zinc/13/96/10/569139610.db2.gz DBGZUUSBVAHECG-UHFFFAOYSA-N 0 0 440.591 1.739 50 0 IDAARN Cc1oc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1S(=O)(=O)N1CCCC1 ZINC000065577576 569139778 /nfs/dbraw/zinc/13/97/78/569139778.db2.gz VXGZJUJVAJICSJ-CQSZACIVSA-N 0 0 427.548 1.414 50 0 IDAARN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000065590308 569139984 /nfs/dbraw/zinc/13/99/84/569139984.db2.gz YSVONJXWRUZMKI-LQGOSWMKSA-N 0 0 431.558 1.360 50 0 IDAARN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000170596387 569141936 /nfs/dbraw/zinc/14/19/36/569141936.db2.gz AUUXOZJFNJBRNP-NWDGAFQWSA-N 0 0 441.369 1.596 50 0 IDAARN O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCN(c2ncccn2)CC1 ZINC000170607819 569144440 /nfs/dbraw/zinc/14/44/40/569144440.db2.gz IEDKJUKWGDVKJD-KDURUIRLSA-N 0 0 432.484 1.717 50 0 IDAARN COc1nc(C)cc(C)c1-c1noc([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000170606789 569144557 /nfs/dbraw/zinc/14/45/57/569144557.db2.gz HWWGDNYUSPKCGB-CYBMUJFWSA-N 0 0 443.485 1.925 50 0 IDAARN CCN(C)C(=O)[C@@H](C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000170609975 569144886 /nfs/dbraw/zinc/14/48/86/569144886.db2.gz YPXQLCPTCPZQQJ-LLVKDONJSA-N 0 0 427.431 1.343 50 0 IDAARN CN(C(=O)COC(=O)CN1CCN(C)C(=O)C1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000170610695 569145050 /nfs/dbraw/zinc/14/50/50/569145050.db2.gz BWZMDSINJIOOPG-QFIPXVFZSA-N 0 0 449.935 1.454 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)Cc3ccncc3)CC2)cc1 ZINC000170610156 569145053 /nfs/dbraw/zinc/14/50/53/569145053.db2.gz TWTKFAGZXIMSRM-GOSISDBHSA-N 0 0 433.530 1.211 50 0 IDAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)OCCCCCO ZINC000170616669 569146693 /nfs/dbraw/zinc/14/66/93/569146693.db2.gz KHIGCFZOYVDTRK-UHFFFAOYSA-N 0 0 426.491 1.475 50 0 IDAARN CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)cc1C ZINC000170618506 569147003 /nfs/dbraw/zinc/14/70/03/569147003.db2.gz ZKDSULMAACKIHW-CYBMUJFWSA-N 0 0 429.477 1.571 50 0 IDAARN CCc1cccc(OC[C@@H](O)Cn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000170624384 569147971 /nfs/dbraw/zinc/14/79/71/569147971.db2.gz GNBNDDRJJDVEQW-INIZCTEOSA-N 0 0 427.505 1.036 50 0 IDAARN O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000170625318 569148332 /nfs/dbraw/zinc/14/83/32/569148332.db2.gz XWXHXSDWOPRMGM-UHFFFAOYSA-N 0 0 446.460 1.176 50 0 IDAARN COC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000170625639 569148492 /nfs/dbraw/zinc/14/84/92/569148492.db2.gz APRFCVCPCKLZDJ-SFHVURJKSA-N 0 0 425.441 1.974 50 0 biogenic IDAARN CCOC(=O)N1CCN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 ZINC000008773671 569149258 /nfs/dbraw/zinc/14/92/58/569149258.db2.gz OQURATWSWSOLSI-HNNXBMFYSA-N 0 0 434.880 1.580 50 0 IDAARN O=C(COC(=O)c1ccncc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009883613 569150050 /nfs/dbraw/zinc/15/00/50/569150050.db2.gz KJUZTPLRZCDZPS-UHFFFAOYSA-N 0 0 439.493 1.925 50 0 IDAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1=O ZINC000009909778 569150369 /nfs/dbraw/zinc/15/03/69/569150369.db2.gz HEXYVWQKOGWEAZ-LEWJYISDSA-N 0 0 429.498 1.300 50 0 IDAARN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009909939 569150447 /nfs/dbraw/zinc/15/04/47/569150447.db2.gz UKRYDTWLQYPFKU-UHFFFAOYSA-N 0 0 433.486 1.927 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)OC)C(C)C)c1 ZINC000009956136 569151241 /nfs/dbraw/zinc/15/12/41/569151241.db2.gz VGJXLRKMQSIIIR-RHSMWYFYSA-N 0 0 441.550 1.149 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N[C@H](C)C(=O)OC)C(C)C)c1 ZINC000009956132 569151323 /nfs/dbraw/zinc/15/13/23/569151323.db2.gz VGJXLRKMQSIIIR-PBHICJAKSA-N 0 0 441.550 1.149 50 0 IDAARN Cc1ccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000009996022 569151426 /nfs/dbraw/zinc/15/14/26/569151426.db2.gz VNOFBDSVYAKFKR-UHFFFAOYSA-N 0 0 449.529 1.274 50 0 IDAARN O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)NCc1ccc2c(c1)OCO2 ZINC000009995999 569151439 /nfs/dbraw/zinc/15/14/39/569151439.db2.gz OHAKNWIKYJIWCA-GFCCVEGCSA-N 0 0 425.488 1.184 50 0 IDAARN COC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219868 569152660 /nfs/dbraw/zinc/15/26/60/569152660.db2.gz HDENEMTUNXSRNY-JTQLQIEISA-N 0 0 426.882 1.044 50 0 IDAARN COC[C@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219919 569152843 /nfs/dbraw/zinc/15/28/43/569152843.db2.gz QYZKQIQVNPTOPG-JTQLQIEISA-N 0 0 426.882 1.044 50 0 IDAARN COc1ccc(S(=O)(=O)CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 ZINC000010219407 569153727 /nfs/dbraw/zinc/15/37/27/569153727.db2.gz PEFYLNKWJHJRTJ-UHFFFAOYSA-N 0 0 431.426 1.929 50 0 IDAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)N2CCC(C)CC2)CS(=O)(=O)C3)cc1 ZINC000010219723 569153820 /nfs/dbraw/zinc/15/38/20/569153820.db2.gz VAUXBAPDUWEJSC-UHFFFAOYSA-N 0 0 432.502 1.506 50 0 IDAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccs2)CS(=O)(=O)C3)cc1 ZINC000010219759 569153829 /nfs/dbraw/zinc/15/38/29/569153829.db2.gz OVKAUEMEMDJENT-UHFFFAOYSA-N 0 0 446.510 1.626 50 0 IDAARN CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000010385379 569154334 /nfs/dbraw/zinc/15/43/34/569154334.db2.gz QKLSRVKWTVAMDZ-AWEZNQCLSA-N 0 0 431.493 1.474 50 0 IDAARN CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000010385983 569154416 /nfs/dbraw/zinc/15/44/16/569154416.db2.gz UKPQUWANMCBFBY-JSGCOSHPSA-N 0 0 435.912 1.737 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)c1 ZINC000010385058 569154551 /nfs/dbraw/zinc/15/45/51/569154551.db2.gz IHTPDGQMMUGXEU-QGZVFWFLSA-N 0 0 441.532 1.426 50 0 IDAARN COc1ccccc1-c1nnc2ccc(OCCNS(=O)(=O)c3cccnc3)nn21 ZINC000013539692 569155681 /nfs/dbraw/zinc/15/56/81/569155681.db2.gz SNOTZGSBMOHLAR-UHFFFAOYSA-N 0 0 426.458 1.552 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nnc(-c3cc(C)nn3C)o2)cc1 ZINC000013615041 569156396 /nfs/dbraw/zinc/15/63/96/569156396.db2.gz VERAVHQIBURHOW-OAHLLOKOSA-N 0 0 446.489 1.579 50 0 IDAARN COCCNC(=O)[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013625610 569156438 /nfs/dbraw/zinc/15/64/38/569156438.db2.gz AWKCENBFUQTOKC-WWDZGPRUSA-N 0 0 439.578 1.347 50 0 IDAARN COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)C(C)C)c(=O)n2Cc1ccccc1 ZINC000014073135 569157718 /nfs/dbraw/zinc/15/77/18/569157718.db2.gz WAQXQBARLBLQSM-INIZCTEOSA-N 0 0 427.505 1.215 50 0 IDAARN COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000014237200 569158171 /nfs/dbraw/zinc/15/81/71/569158171.db2.gz MQWUPTAKMWZBQY-INIZCTEOSA-N 0 0 438.527 1.091 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)N[C@@H]3CCCc4ccccc43)c2c1 ZINC000014351984 569158712 /nfs/dbraw/zinc/15/87/12/569158712.db2.gz OGRUJGKLYATFHR-QGZVFWFLSA-N 0 0 429.502 1.304 50 0 IDAARN CC(=O)c1ccc2c(c1)CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000089593966 569159740 /nfs/dbraw/zinc/15/97/40/569159740.db2.gz STNZYUFXZOYQNU-HXUWFJFHSA-N 0 0 444.557 1.793 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)c(=O)[nH]c1=O ZINC000014654963 569160606 /nfs/dbraw/zinc/16/06/06/569160606.db2.gz YJNGNGUHIHJYAB-MRXNPFEDSA-N 0 0 427.505 1.239 50 0 IDAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CCO)c2ccccc2)c1 ZINC000089661624 569160840 /nfs/dbraw/zinc/16/08/40/569160840.db2.gz SLSWFFOITLMDST-SFHVURJKSA-N 0 0 433.530 1.942 50 0 IDAARN COc1cn(CC(=O)Nc2cccc(C)c2C)c(CN2CCN(C(C)=O)CC2)cc1=O ZINC000016837641 569162645 /nfs/dbraw/zinc/16/26/45/569162645.db2.gz GVQYQRWAQMDWIY-UHFFFAOYSA-N 0 0 426.517 1.777 50 0 IDAARN COc1ccc(/C=C/C(=O)NCCN2CCn3cc(OC)c(=O)cc3C2=O)cc1OC ZINC000016850503 569164740 /nfs/dbraw/zinc/16/47/40/569164740.db2.gz IFXGKTSRGFCYNY-FNORWQNLSA-N 0 0 427.457 1.160 50 0 IDAARN COc1ccc(CCNC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1OC ZINC000016850935 569164898 /nfs/dbraw/zinc/16/48/98/569164898.db2.gz DYZLXQDGBXXAAL-HNNXBMFYSA-N 0 0 433.530 1.721 50 0 IDAARN COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(C(C)=O)CC1 ZINC000016890354 569165445 /nfs/dbraw/zinc/16/54/45/569165445.db2.gz NTSSNVYIARJOIJ-UHFFFAOYSA-N 0 0 428.489 1.168 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000089914327 569167451 /nfs/dbraw/zinc/16/74/51/569167451.db2.gz MVESYMXOURTZST-NRFANRHFSA-N 0 0 425.397 1.592 50 0 IDAARN C[C@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@@H]1CO ZINC000089929847 569167964 /nfs/dbraw/zinc/16/79/64/569167964.db2.gz WJHCSFXGXZPMJZ-GXFFZTMASA-N 0 0 426.354 1.634 50 0 IDAARN COc1ccc(C(=O)N2C[C@H](C)Oc3ncccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000089941259 569168453 /nfs/dbraw/zinc/16/84/53/569168453.db2.gz DOFHZLYXZRAPKA-AWEZNQCLSA-N 0 0 433.486 1.539 50 0 IDAARN Cc1nn(C(=O)c2ccccc2Br)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000016976462 569168814 /nfs/dbraw/zinc/16/88/14/569168814.db2.gz CXOOZBQTOQOGEN-UHFFFAOYSA-N 0 0 428.308 1.972 50 0 IDAARN CCOC(=O)C1=C(COC(=O)c2ccc(-n3cncn3)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000089978354 569169580 /nfs/dbraw/zinc/16/95/80/569169580.db2.gz TZCKXIPJSYHWMF-GOSISDBHSA-N 0 0 437.412 1.888 50 0 IDAARN COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CN2CCN(C(C)=O)CC2)cc1=O ZINC000017010739 569170371 /nfs/dbraw/zinc/17/03/71/569170371.db2.gz TUFKPZDXNBYMQL-UHFFFAOYSA-N 0 0 426.517 1.777 50 0 IDAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1Cl ZINC000014735560 569170650 /nfs/dbraw/zinc/17/06/50/569170650.db2.gz GXOAVLZQXXFMKO-UHFFFAOYSA-N 0 0 425.894 1.934 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3ccccn3)C(C)C)cc2C[C@@H]1C ZINC000009118201 569171204 /nfs/dbraw/zinc/17/12/04/569171204.db2.gz DKIMCKNZKAAJBH-YCRPNKLZSA-N 0 0 444.557 1.998 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)OCCCNC1=NS(=O)(=O)c2ccccc21 ZINC000017094809 569173169 /nfs/dbraw/zinc/17/31/69/569173169.db2.gz GSVQPLJLHXVINF-UHFFFAOYSA-N 0 0 426.454 1.069 50 0 IDAARN CC(C)c1nc(SCC(=O)NCCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000017113714 569174144 /nfs/dbraw/zinc/17/41/44/569174144.db2.gz DERYWEGQFQXKRI-UHFFFAOYSA-N 0 0 427.530 1.602 50 0 IDAARN CC(C)Cc1nc(SCC(=O)N(C)c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000017113319 569174148 /nfs/dbraw/zinc/17/41/48/569174148.db2.gz KGBCMPVMKUAIKG-UHFFFAOYSA-N 0 0 427.530 1.981 50 0 IDAARN O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000017155490 569175017 /nfs/dbraw/zinc/17/50/17/569175017.db2.gz SKGJDEMGKNBHOK-UHFFFAOYSA-N 0 0 448.455 1.655 50 0 IDAARN NC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000017170280 569175417 /nfs/dbraw/zinc/17/54/17/569175417.db2.gz ARFYUXLMYMQAAO-UHFFFAOYSA-N 0 0 447.426 1.483 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000014849737 569182673 /nfs/dbraw/zinc/18/26/73/569182673.db2.gz VLUHDPOMFRMSLY-UHFFFAOYSA-N 0 0 439.515 1.849 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 ZINC000014850809 569182947 /nfs/dbraw/zinc/18/29/47/569182947.db2.gz ZNLZJVKBXNDVLE-UHFFFAOYSA-N 0 0 437.543 1.901 50 0 IDAARN Cc1ccccc1NC(=O)[C@H](C)NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002126663 569184000 /nfs/dbraw/zinc/18/40/00/569184000.db2.gz SOJAAJNZOAFWND-HLWREBGISA-N 0 0 434.489 1.835 50 0 biogenic IDAARN O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000027182931 569184011 /nfs/dbraw/zinc/18/40/11/569184011.db2.gz HNDSQXBNXQYHSD-GJZGRUSLSA-N 0 0 425.407 1.727 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000002128887 569184323 /nfs/dbraw/zinc/18/43/23/569184323.db2.gz PCTAVKIIFJGKCY-VGHKVXAASA-N 0 0 425.485 1.831 50 0 biogenic IDAARN Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000002128889 569184330 /nfs/dbraw/zinc/18/43/30/569184330.db2.gz PCTAVKIIFJGKCY-XITLKHQFSA-N 0 0 425.485 1.831 50 0 biogenic IDAARN Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c1 ZINC000002134504 569185221 /nfs/dbraw/zinc/18/52/21/569185221.db2.gz DXEGUBZOOFITMD-WGFFODHRSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN Cc1ccc2c(c1)[C@@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000002134320 569185223 /nfs/dbraw/zinc/18/52/23/569185223.db2.gz AHGOZVVUHWJLQW-NZQNYPKQSA-N 0 0 425.485 1.913 50 0 biogenic IDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000252478442 569186132 /nfs/dbraw/zinc/18/61/32/569186132.db2.gz AMLZKYYBEZRLHY-UHFFFAOYSA-N 0 0 446.573 1.998 50 0 IDAARN COC(=O)[C@@H]1CCc2c(nn(CC(=O)N3CCCCC3)c2I)C1 ZINC000252508623 569188360 /nfs/dbraw/zinc/18/83/60/569188360.db2.gz XPYNYXOWNXDNKK-LLVKDONJSA-N 0 0 431.274 1.778 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1 ZINC000252523125 569189585 /nfs/dbraw/zinc/18/95/85/569189585.db2.gz BXLXHKONQGOXOJ-PMACEKPBSA-N 0 0 425.485 1.993 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1 ZINC000252523126 569189596 /nfs/dbraw/zinc/18/95/96/569189596.db2.gz BXLXHKONQGOXOJ-UXHICEINSA-N 0 0 425.485 1.993 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 ZINC000252548591 569190869 /nfs/dbraw/zinc/19/08/69/569190869.db2.gz QEQVSDCKIMZPHV-AZUAARDMSA-N 0 0 425.485 1.820 50 0 IDAARN COc1cccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)N3CCOCC3)c2=O)c1 ZINC000037399436 569194362 /nfs/dbraw/zinc/19/43/62/569194362.db2.gz UIFUNGCWCFZOOL-UHFFFAOYSA-N 0 0 429.860 1.673 50 0 IDAARN NS(=O)(=O)c1ccc(OCCN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 ZINC000027371794 569195482 /nfs/dbraw/zinc/19/54/82/569195482.db2.gz QMZKBDOGFCPAKD-OAQYLSRUSA-N 0 0 445.541 1.993 50 0 IDAARN NS(=O)(=O)c1ccc(OCCN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 ZINC000027371790 569195503 /nfs/dbraw/zinc/19/55/03/569195503.db2.gz QMZKBDOGFCPAKD-NRFANRHFSA-N 0 0 445.541 1.993 50 0 IDAARN CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)CC(=O)NC(C)(C)C ZINC000007683276 569197475 /nfs/dbraw/zinc/19/74/75/569197475.db2.gz WXYLHGQGBNBKRX-JOCHJYFZSA-N 0 0 431.537 1.198 50 0 IDAARN CC(C)CNC(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000037577333 569201434 /nfs/dbraw/zinc/20/14/34/569201434.db2.gz OSOLOQGAQLHUJB-UHFFFAOYSA-N 0 0 429.496 1.913 50 0 IDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252667126 569209667 /nfs/dbraw/zinc/20/96/67/569209667.db2.gz CTRANMPOYHMYAR-SFHVURJKSA-N 0 0 426.473 1.671 50 0 IDAARN CCN1C(=O)C(=c2sc(=C3Sc4ccccc4N3C)c(=O)n2CC)N(C)C1=S ZINC000252667420 569209693 /nfs/dbraw/zinc/20/96/93/569209693.db2.gz DBWDKBZIISSMGQ-UHFFFAOYSA-N 0 0 432.596 1.425 50 0 IDAARN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@@](C)(CC)NC(=O)[C@H]1CSCN1C(=O)CC ZINC000252671967 569210056 /nfs/dbraw/zinc/21/00/56/569210056.db2.gz OTQLZSFWVWFVHN-PJIJBLCYSA-N 0 0 444.623 1.011 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3cccnc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000252677371 569210535 /nfs/dbraw/zinc/21/05/35/569210535.db2.gz YMSVZNGDVRMFDC-HXUWFJFHSA-N 0 0 449.488 1.729 50 0 IDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000252693147 569210799 /nfs/dbraw/zinc/21/07/99/569210799.db2.gz BDRXNLLNSXNAAR-HBBROVCRSA-N 0 0 449.463 1.025 50 0 biogenic IDAARN COc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(OC)c(OC)c3)nn2c1=O ZINC000002261861 569215803 /nfs/dbraw/zinc/21/58/03/569215803.db2.gz RMQCRVCUJIEZGL-UNOMPAQXSA-N 0 0 437.477 1.676 50 0 IDAARN COCCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OCCOC)C(=O)C[C@]1(C)O ZINC000016956776 569256855 /nfs/dbraw/zinc/25/68/55/569256855.db2.gz XDEMGJMCDOZVRB-NYUBLWNDSA-N 0 0 442.892 1.759 50 0 IDAARN COc1ccccc1CCN1C[C@@H](C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1=O ZINC000253409059 569265617 /nfs/dbraw/zinc/26/56/17/569265617.db2.gz LIUIEGUMRMJMRD-HOJAQTOUSA-N 0 0 435.524 1.894 50 0 biogenic IDAARN Cn1c2ccc([C@@H](CC(N)=O)c3oc(CN4CCCCC4)cc(=O)c3O)cc2n(C)c1=O ZINC000253415141 569266333 /nfs/dbraw/zinc/26/63/33/569266333.db2.gz ZTECUYUIDJBKCP-MRXNPFEDSA-N 0 0 440.500 1.529 50 0 biogenic IDAARN CC(C)N(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@@H](C)c1ccccc1 ZINC000253415548 569266341 /nfs/dbraw/zinc/26/63/41/569266341.db2.gz GCVYRORWFHIPJJ-FUHWJXTLSA-N 0 0 434.628 1.508 50 0 IDAARN COc1ccccc1[C@@H](CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)N1CCCC1 ZINC000253427636 569267498 /nfs/dbraw/zinc/26/74/98/569267498.db2.gz GIMCDWLYYGITRR-SJLPKXTDSA-N 0 0 430.592 1.576 50 0 IDAARN COCCOC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc21 ZINC000002326619 569274461 /nfs/dbraw/zinc/27/44/61/569274461.db2.gz PWONPHVFKJTSOJ-UHFFFAOYSA-N 0 0 441.469 1.607 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCCO)c(=O)n3C)n1-c1ccc(Br)cc1 ZINC000002347375 569281089 /nfs/dbraw/zinc/28/10/89/569281089.db2.gz KJQBIQMIWGJDLG-UHFFFAOYSA-N 0 0 432.278 1.592 50 0 IDAARN O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000253472755 569282794 /nfs/dbraw/zinc/28/27/94/569282794.db2.gz PGNHJHSFWKOYOG-FQEVSTJZSA-N 0 0 441.513 1.470 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCCN([C@H]3CCN(CCOC)C3=O)CC2)cc1 ZINC000225328879 569289804 /nfs/dbraw/zinc/28/98/04/569289804.db2.gz FKCWAMKKOGCSNB-IBGZPJMESA-N 0 0 425.551 1.029 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012977260 569305661 /nfs/dbraw/zinc/30/56/61/569305661.db2.gz GPDVGSXIAQLFTP-UHFFFAOYSA-N 0 0 439.511 1.972 50 0 IDAARN CCCn1c2ccc(S(N)(=O)=O)cc2n(C[C@@H](O)COc2ccc(Cl)cc2)c1=O ZINC000013022287 569307274 /nfs/dbraw/zinc/30/72/74/569307274.db2.gz MVJFKVKREPMKKX-CQSZACIVSA-N 0 0 439.921 1.954 50 0 IDAARN Cc1cc(O)c(Cc2c(O)cc(C)n(C[C@@H]3CCCO3)c2=O)c(=O)n1C[C@H]1CCCO1 ZINC000013036533 569307508 /nfs/dbraw/zinc/30/75/08/569307508.db2.gz XIUYHNYPKYOZQZ-CALCHBBNSA-N 0 0 430.501 1.987 50 0 IDAARN CC(C)CN(C(=O)CCC(=O)NCc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013042406 569308236 /nfs/dbraw/zinc/30/82/36/569308236.db2.gz QCJGXKJARFDEAG-UHFFFAOYSA-N 0 0 443.548 1.860 50 0 IDAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 ZINC000013055737 569308301 /nfs/dbraw/zinc/30/83/01/569308301.db2.gz BQLWZFVKMKWVPD-OAQYLSRUSA-N 0 0 444.513 1.651 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(C)c1=O ZINC000013057643 569308419 /nfs/dbraw/zinc/30/84/19/569308419.db2.gz NCMMXPQVEACGKI-UHFFFAOYSA-N 0 0 429.502 1.734 50 0 IDAARN COCCn1cnc2c1c(=O)n(CC(=O)Oc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000013059619 569308514 /nfs/dbraw/zinc/30/85/14/569308514.db2.gz CVUWRSACPKXOPS-UHFFFAOYSA-N 0 0 434.452 1.660 50 0 IDAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(-n2cnnn2)cc1 ZINC000013097357 569309827 /nfs/dbraw/zinc/30/98/27/569309827.db2.gz IQIGFGLXQZOKCC-UHFFFAOYSA-N 0 0 428.836 1.570 50 0 IDAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000002455738 569311341 /nfs/dbraw/zinc/31/13/41/569311341.db2.gz IGHCERIIQFCJBO-UHFFFAOYSA-N 0 0 449.504 1.932 50 0 IDAARN COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)cc1 ZINC000013346475 569312917 /nfs/dbraw/zinc/31/29/17/569312917.db2.gz PRBGXDURZILRNN-MRXNPFEDSA-N 0 0 449.573 1.756 50 0 IDAARN CC(C)(C)C(=O)Nc1ccc(-n2cccc(C(=O)NCCN3CCOCC3)c2=O)cc1 ZINC000013358986 569313872 /nfs/dbraw/zinc/31/38/72/569313872.db2.gz MYRDRGBKQHHBGT-UHFFFAOYSA-N 0 0 426.517 1.884 50 0 IDAARN CCOC(=O)CCNC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1)CC2 ZINC000013360575 569313946 /nfs/dbraw/zinc/31/39/46/569313946.db2.gz UOPCKDKSQGBRHE-UHFFFAOYSA-N 0 0 438.531 1.965 50 0 IDAARN COc1ccc(OCCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013371586 569315098 /nfs/dbraw/zinc/31/50/98/569315098.db2.gz NCZUPWRMWNIPIW-OALUTQOASA-N 0 0 443.518 1.442 50 0 IDAARN COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000013371868 569315105 /nfs/dbraw/zinc/31/51/05/569315105.db2.gz CUYAOISGSVNLOA-PMACEKPBSA-N 0 0 441.546 1.914 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2=O)cc1 ZINC000078879240 569320021 /nfs/dbraw/zinc/32/00/21/569320021.db2.gz ZMICVCUDUSFFLV-KEEVHDRGSA-N 0 0 433.461 1.977 50 0 IDAARN CC1(C)CN(C(=O)Cn2cc(NC(=O)NCC[S@](=O)Cc3ccccc3)cn2)CCO1 ZINC000078975136 569321047 /nfs/dbraw/zinc/32/10/47/569321047.db2.gz WGIAHRXHGBEQTR-WJOKGBTCSA-N 0 0 447.561 1.591 50 0 IDAARN CC(C)C[C@H](C(=O)N(C)C[C@@H](O)COCCOC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000078986977 569321367 /nfs/dbraw/zinc/32/13/67/569321367.db2.gz HFWAGDMXHQTNFB-YSTOQKLRSA-N 0 0 438.565 1.613 50 0 IDAARN COC(=O)C=Cc1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000079017674 569322077 /nfs/dbraw/zinc/32/20/77/569322077.db2.gz SNJJIYTYSORPEH-UZYOAWRESA-N 0 0 436.490 1.576 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccnc4ccncc43)c2)CC1 ZINC000079023059 569322477 /nfs/dbraw/zinc/32/24/77/569322477.db2.gz CLHQMKPKXJPSKR-UHFFFAOYSA-N 0 0 439.497 1.735 50 0 IDAARN CS(=O)(=O)c1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000079023482 569322663 /nfs/dbraw/zinc/32/26/63/569322663.db2.gz UYDUMGAPMKQDRG-CMPLNLGQSA-N 0 0 433.324 1.458 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(C[C@H]2CCCN(S(C)(=O)=O)C2)C1=O ZINC000079061915 569323896 /nfs/dbraw/zinc/32/38/96/569323896.db2.gz PONUMTCXZYRIQD-XOBRGWDASA-N 0 0 437.518 1.287 50 0 IDAARN CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NC[C@@H]2Cc3ccccc3O2)C1=O ZINC000079067508 569324397 /nfs/dbraw/zinc/32/43/97/569324397.db2.gz ZBFVDHPNMLNSTP-INIZCTEOSA-N 0 0 437.456 1.305 50 0 IDAARN CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2cccc(Cl)c2)C1=O ZINC000079105810 569325638 /nfs/dbraw/zinc/32/56/38/569325638.db2.gz HVTANMRNFLZRHN-UHFFFAOYSA-N 0 0 436.877 1.634 50 0 IDAARN C[C@H](C(=O)N1CCCCC1)N1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000079106145 569325880 /nfs/dbraw/zinc/32/58/80/569325880.db2.gz KOWSABZZAQHFPB-QGZVFWFLSA-N 0 0 435.532 1.632 50 0 IDAARN CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3OCCOC)CC2)CC1 ZINC000079107518 569325914 /nfs/dbraw/zinc/32/59/14/569325914.db2.gz KCEUSHNSFZTTHI-UHFFFAOYSA-N 0 0 439.578 1.422 50 0 IDAARN CCN(C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000019797420 569329679 /nfs/dbraw/zinc/32/96/79/569329679.db2.gz ZZDVTAKKISVMNO-OAHLLOKOSA-N 0 0 428.532 1.038 50 0 IDAARN C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1=O ZINC000019797398 569329692 /nfs/dbraw/zinc/32/96/92/569329692.db2.gz JHEOFXARBMUMNS-KRWDZBQOSA-N 0 0 427.526 1.957 50 0 IDAARN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000019819968 569330110 /nfs/dbraw/zinc/33/01/10/569330110.db2.gz GCLPGWSNGVEGRJ-GOSISDBHSA-N 0 0 434.514 1.818 50 0 IDAARN CC(C)Cn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O ZINC000079475806 569330770 /nfs/dbraw/zinc/33/07/70/569330770.db2.gz RYJYOWACQOAJST-KRWDZBQOSA-N 0 0 431.558 1.602 50 0 IDAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc12 ZINC000079481915 569331010 /nfs/dbraw/zinc/33/10/10/569331010.db2.gz ULDCYMDVSBPHPK-QGZVFWFLSA-N 0 0 448.541 1.428 50 0 IDAARN Cc1cc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000079492686 569331366 /nfs/dbraw/zinc/33/13/66/569331366.db2.gz AVMWBNSUSDSIQY-IAGOWNOFSA-N 0 0 432.550 1.813 50 0 IDAARN O=C(Cn1c2ccccc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1cccc(F)c1 ZINC000020153156 569353425 /nfs/dbraw/zinc/35/34/25/569353425.db2.gz VTYLAKXCPWGFGI-UHFFFAOYSA-N 0 0 438.459 2.000 50 0 IDAARN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)s1 ZINC000390828586 569354010 /nfs/dbraw/zinc/35/40/10/569354010.db2.gz BHPXXCJYSJJFIN-CQSZACIVSA-N 0 0 429.545 1.652 50 0 IDAARN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)s1 ZINC000390828585 569354074 /nfs/dbraw/zinc/35/40/74/569354074.db2.gz BHPXXCJYSJJFIN-AWEZNQCLSA-N 0 0 429.545 1.652 50 0 IDAARN COc1ccc(OC)c(-c2cc(C(=O)NC3CCN([C@@H]4CCS(=O)(=O)C4)CC3)[nH]n2)c1 ZINC000390830023 569354206 /nfs/dbraw/zinc/35/42/06/569354206.db2.gz IFEXMJLOBXROQX-OAHLLOKOSA-N 0 0 448.545 1.475 50 0 IDAARN COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000020233175 569357092 /nfs/dbraw/zinc/35/70/92/569357092.db2.gz FXALZINELMDPTP-UHFFFAOYSA-N 0 0 431.514 1.589 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000020287416 569359140 /nfs/dbraw/zinc/35/91/40/569359140.db2.gz LAQQNVQJWOGESB-OXJNMPFZSA-N 0 0 431.558 1.994 50 0 IDAARN Cc1ccnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)c1 ZINC000020326888 569360459 /nfs/dbraw/zinc/36/04/59/569360459.db2.gz UMARIWHYFWRGBR-AWEZNQCLSA-N 0 0 430.486 1.874 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccn4)C3)cc2oc1=O ZINC000020326646 569360537 /nfs/dbraw/zinc/36/05/37/569360537.db2.gz TXUDDMSTZJPUJB-AWEZNQCLSA-N 0 0 430.486 1.244 50 0 IDAARN CN(Cc1ccco1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000020327476 569360548 /nfs/dbraw/zinc/36/05/48/569360548.db2.gz GLSOYOLUMYUVGM-CQSZACIVSA-N 0 0 433.486 1.784 50 0 IDAARN CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)CC1 ZINC000095399141 569363631 /nfs/dbraw/zinc/36/36/31/569363631.db2.gz QLRDJKXQVMASPI-SONOPUAISA-N 0 0 427.567 1.129 50 0 IDAARN CCOC[C@@H](O)CN1CCN(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1 ZINC000095399144 569363637 /nfs/dbraw/zinc/36/36/37/569363637.db2.gz QLRDJKXQVMASPI-SLQAJWMNSA-N 0 0 427.567 1.129 50 0 IDAARN COc1ccc(C(=O)NCCNC(=O)C(C)(C)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000095398694 569363691 /nfs/dbraw/zinc/36/36/91/569363691.db2.gz LJBSJHNUWMFXCB-UHFFFAOYSA-N 0 0 448.564 1.873 50 0 IDAARN O=C(C1CCN(c2cncc3nnnn32)CC1)N1CCCN(Cc2ccccc2F)CC1 ZINC000095449256 569367610 /nfs/dbraw/zinc/36/76/10/569367610.db2.gz WHUFOQYMOWDFDY-UHFFFAOYSA-N 0 0 438.511 1.609 50 0 IDAARN COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c1 ZINC000095449602 569367641 /nfs/dbraw/zinc/36/76/41/569367641.db2.gz QEIMOIFGADDCIQ-LBPRGKRZSA-N 0 0 438.441 1.846 50 0 IDAARN COc1ccc(CCNC(=O)c2cnn(C)c2-n2c(C)ccc2C)cc1S(N)(=O)=O ZINC000095455946 569368673 /nfs/dbraw/zinc/36/86/73/569368673.db2.gz VYHNDGYGAYOVLI-UHFFFAOYSA-N 0 0 431.518 1.456 50 0 IDAARN CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C1CC1 ZINC000095457537 569369097 /nfs/dbraw/zinc/36/90/97/569369097.db2.gz IBVOJPJXVOECPG-SECBINFHSA-N 0 0 445.009 1.489 50 0 IDAARN CN(C)C(=O)COc1ccccc1C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 ZINC000095459666 569369449 /nfs/dbraw/zinc/36/94/49/569369449.db2.gz DHQLTOXJYROUOU-UHFFFAOYSA-N 0 0 435.502 1.334 50 0 IDAARN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 ZINC000095462385 569370173 /nfs/dbraw/zinc/37/01/73/569370173.db2.gz ZHZMQRGYIBXIQH-LJQANCHMSA-N 0 0 431.456 1.338 50 0 IDAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1cccnc1 ZINC000095471269 569371904 /nfs/dbraw/zinc/37/19/04/569371904.db2.gz RKSQYXICRAPZCN-NVXWUHKLSA-N 0 0 448.520 1.443 50 0 IDAARN CC(C)c1sc(Br)nc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000095477040 569373206 /nfs/dbraw/zinc/37/32/06/569373206.db2.gz OJOMOVBVSICOEL-NSHDSACASA-N 0 0 436.397 1.974 50 0 IDAARN C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1=O ZINC000095478642 569373479 /nfs/dbraw/zinc/37/34/79/569373479.db2.gz WKBKKTCKFLNOOF-OAQYLSRUSA-N 0 0 429.498 1.057 50 0 IDAARN Cc1cc(NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000095478703 569373530 /nfs/dbraw/zinc/37/35/30/569373530.db2.gz MSIKRRUCNPSILH-CQSZACIVSA-N 0 0 433.465 1.347 50 0 IDAARN Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000095480919 569374026 /nfs/dbraw/zinc/37/40/26/569374026.db2.gz FTERBXMBEMKRBA-UHFFFAOYSA-N 0 0 425.942 1.532 50 0 IDAARN C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@H]2CCCO2)c3=O)CC1 ZINC000020643858 569374867 /nfs/dbraw/zinc/37/48/67/569374867.db2.gz BUNSPWQOMVOLRY-QGZVFWFLSA-N 0 0 445.589 1.232 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2c1 ZINC000095944747 569375735 /nfs/dbraw/zinc/37/57/35/569375735.db2.gz ACGIEYXPHPJJGQ-UHFFFAOYSA-N 0 0 449.514 1.482 50 0 IDAARN C[C@H]([C@H](C)N(C)C(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)S(C)(=O)=O ZINC000095959106 569376984 /nfs/dbraw/zinc/37/69/84/569376984.db2.gz CJVXMDIESHIILA-UONOGXRCSA-N 0 0 442.559 1.958 50 0 IDAARN c1cc(CN2CCN(c3cc(N4CCN(Cc5ccncc5)CC4)ncn3)CC2)ccn1 ZINC000095972540 569377510 /nfs/dbraw/zinc/37/75/10/569377510.db2.gz OIHDHCKTJSYHCV-UHFFFAOYSA-N 0 0 430.560 1.911 50 0 IDAARN COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000095976441 569377596 /nfs/dbraw/zinc/37/75/96/569377596.db2.gz HVMJYAMZRJZRAJ-SFHVURJKSA-N 0 0 449.533 1.042 50 0 IDAARN CCN1CCN(c2ccc(C(=O)Oc3cccc(C(=O)NCC(N)=O)c3)cc2F)CC1 ZINC000095983045 569377884 /nfs/dbraw/zinc/37/78/84/569377884.db2.gz BASPUPWEDATUDI-UHFFFAOYSA-N 0 0 428.464 1.402 50 0 IDAARN O=C(NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000095991646 569378148 /nfs/dbraw/zinc/37/81/48/569378148.db2.gz LBHFFRPBLHQUEC-HOTGVXAUSA-N 0 0 426.922 1.893 50 0 IDAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000095996029 569378713 /nfs/dbraw/zinc/37/87/13/569378713.db2.gz OYAXAYNKTWSTKB-UHFFFAOYSA-N 0 0 445.532 1.441 50 0 IDAARN CCOc1ccc(NC(=O)COC(=O)c2ncsc2S(N)(=O)=O)cc1OCC ZINC000096012734 569380197 /nfs/dbraw/zinc/38/01/97/569380197.db2.gz TXNRKSHCNCIMFT-UHFFFAOYSA-N 0 0 429.476 1.383 50 0 IDAARN Cn1nnc2c1ncnc2N1CC(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000096096758 569381284 /nfs/dbraw/zinc/38/12/84/569381284.db2.gz VMCSUYCSLBHKQH-UHFFFAOYSA-N 0 0 447.330 1.850 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1 ZINC000096099507 569381677 /nfs/dbraw/zinc/38/16/77/569381677.db2.gz IGFSEULCKNGTQN-UHFFFAOYSA-N 0 0 440.543 1.750 50 0 IDAARN COc1ccc(-c2nn([C@@H](C)C(=O)NCCCN3CCOCC3)c(=O)cc2OC)cc1 ZINC000096101078 569381706 /nfs/dbraw/zinc/38/17/06/569381706.db2.gz UPSPRVVPQCJXRB-INIZCTEOSA-N 0 0 430.505 1.327 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ncccc3Br)CC2)CC1 ZINC000096102941 569381953 /nfs/dbraw/zinc/38/19/53/569381953.db2.gz WMCPYCUDFPMOPI-UHFFFAOYSA-N 0 0 446.367 1.886 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccccc1F)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096104273 569382159 /nfs/dbraw/zinc/38/21/59/569382159.db2.gz RIFPTKYPDRYORF-UHFFFAOYSA-N 0 0 444.481 1.318 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096115652 569383304 /nfs/dbraw/zinc/38/33/04/569383304.db2.gz NHGHBNKVDAJCBM-QYZOEREBSA-N 0 0 434.496 1.347 50 0 biogenic IDAARN O=C(c1cc(-c2ccc(F)cc2F)n[nH]1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124285 569385522 /nfs/dbraw/zinc/38/55/22/569385522.db2.gz FAKVJOSSFRSUSO-UHFFFAOYSA-N 0 0 437.414 1.688 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)CC1 ZINC000096232611 569387874 /nfs/dbraw/zinc/38/78/74/569387874.db2.gz 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CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)c1 ZINC000096395259 569398992 /nfs/dbraw/zinc/39/89/92/569398992.db2.gz MZYYKKZVNUIPRU-CQSZACIVSA-N 0 0 442.505 1.284 50 0 IDAARN COCCN1CC[C@@H](N2CCCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)C1=O ZINC000097078186 569403122 /nfs/dbraw/zinc/40/31/22/569403122.db2.gz FGGNOYOKLFSOGA-HXUWFJFHSA-N 0 0 437.606 1.864 50 0 IDAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 ZINC000097161365 569403299 /nfs/dbraw/zinc/40/32/99/569403299.db2.gz JXULPADKTGPEPS-FQEVSTJZSA-N 0 0 439.516 1.937 50 0 IDAARN COc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055408585 569404755 /nfs/dbraw/zinc/40/47/55/569404755.db2.gz VDOVWQYFZGCGDH-ZWKOTPCHSA-N 0 0 430.482 1.438 50 0 IDAARN COc1ccc(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000055408454 569404765 /nfs/dbraw/zinc/40/47/65/569404765.db2.gz ODVVGDFJWVSFSW-RBUKOAKNSA-N 0 0 430.526 1.761 50 0 IDAARN COC(=O)[C@@H]1CN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C[C@H]1c1ccccc1 ZINC000225598616 569405288 /nfs/dbraw/zinc/40/52/88/569405288.db2.gz GSAQWGLHLYARBP-ZWKOTPCHSA-N 0 0 427.501 1.999 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 ZINC000225604228 569405542 /nfs/dbraw/zinc/40/55/42/569405542.db2.gz JCOGHZZJLOFKEY-UHFFFAOYSA-N 0 0 432.502 1.153 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000225604180 569405619 /nfs/dbraw/zinc/40/56/19/569405619.db2.gz YNKDMGQWIRSMQI-UHFFFAOYSA-N 0 0 438.531 1.214 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1OC ZINC000225603714 569405580 /nfs/dbraw/zinc/40/55/80/569405580.db2.gz XYRMUXVCXFKUOW-UHFFFAOYSA-N 0 0 434.518 1.383 50 0 IDAARN O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000225638961 569406355 /nfs/dbraw/zinc/40/63/55/569406355.db2.gz UQUDCVRLIHDWBE-GOSISDBHSA-N 0 0 426.454 1.871 50 0 IDAARN CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000028060088 569407124 /nfs/dbraw/zinc/40/71/24/569407124.db2.gz XLIJRUNICBWPNC-UHFFFAOYSA-N 0 0 429.498 1.727 50 0 IDAARN COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225713317 569407457 /nfs/dbraw/zinc/40/74/57/569407457.db2.gz PXRFUVJATXSJOJ-JOCHJYFZSA-N 0 0 444.509 1.851 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225758688 569408230 /nfs/dbraw/zinc/40/82/30/569408230.db2.gz YOPPZVPXXSWYNA-UHFFFAOYSA-N 0 0 431.452 1.263 50 0 IDAARN CCn1cccc1-c1noc(CNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)n1 ZINC000225768731 569408416 /nfs/dbraw/zinc/40/84/16/569408416.db2.gz JWBIJYCSDFISPQ-LBPRGKRZSA-N 0 0 426.502 1.957 50 0 IDAARN Cc1nn(C)c2c1nc(N1CCN(S(=O)(=O)c3ccccc3)CC1)n(C(C)C)c2=O ZINC000028557026 569412214 /nfs/dbraw/zinc/41/22/14/569412214.db2.gz HIDASPWXXWWGGK-UHFFFAOYSA-N 0 0 430.534 1.530 50 0 IDAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O ZINC000002634148 569412797 /nfs/dbraw/zinc/41/27/97/569412797.db2.gz LXYQEFQGXDKTGN-GOSISDBHSA-N 0 0 428.246 1.979 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(Br)cc2)cc1 ZINC000002634984 569412882 /nfs/dbraw/zinc/41/28/82/569412882.db2.gz MMJYQMIDKOQABR-UHFFFAOYSA-N 0 0 426.292 1.143 50 0 IDAARN O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1Br ZINC000002649349 569414491 /nfs/dbraw/zinc/41/44/91/569414491.db2.gz VRICLOSBVFITOT-UHFFFAOYSA-N 0 0 432.230 1.634 50 0 IDAARN CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 ZINC000002653573 569415106 /nfs/dbraw/zinc/41/51/06/569415106.db2.gz ZXUHBXRARMLLSJ-UHFFFAOYSA-N 0 0 436.361 1.792 50 0 IDAARN NC(=O)c1c2c(sc1NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CCC2 ZINC000002655879 569415363 /nfs/dbraw/zinc/41/53/63/569415363.db2.gz WZVFQEONBRRPKD-UHFFFAOYSA-N 0 0 435.527 1.609 50 0 IDAARN CCn1nc(C)c(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c1C ZINC000002732958 569419587 /nfs/dbraw/zinc/41/95/87/569419587.db2.gz LKXSOMWKMWZSPZ-KRWDZBQOSA-N 0 0 436.582 1.621 50 0 IDAARN CCn1cc(S(=O)(=O)N2CCC[C@@H](c3nc4c5cnn(C)c5ncn4n3)C2)c(C)n1 ZINC000002803180 569422524 /nfs/dbraw/zinc/42/25/24/569422524.db2.gz UQYRWBLANPJMBU-CYBMUJFWSA-N 0 0 429.510 1.104 50 0 IDAARN COC(CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)OC ZINC000002938253 569426435 /nfs/dbraw/zinc/42/64/35/569426435.db2.gz YFPGDVQQUAKASL-KRWDZBQOSA-N 0 0 426.922 1.965 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 ZINC000003021120 569435931 /nfs/dbraw/zinc/43/59/31/569435931.db2.gz VZSCXEUEKRTMGF-UHFFFAOYSA-N 0 0 433.324 1.483 50 0 IDAARN O=C(NCc1ccccn1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945239 569428056 /nfs/dbraw/zinc/42/80/56/569428056.db2.gz PWDYNAAHJYWPBZ-NRFANRHFSA-N 0 0 433.512 1.971 50 0 IDAARN COc1ccc(CCN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000056998034 569429026 /nfs/dbraw/zinc/42/90/26/569429026.db2.gz ODVVGDFJWVSFSW-OALUTQOASA-N 0 0 430.526 1.761 50 0 IDAARN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1 ZINC000057279543 569430421 /nfs/dbraw/zinc/43/04/21/569430421.db2.gz PBQJWQHIJMESNS-UHFFFAOYSA-N 0 0 433.490 1.864 50 0 IDAARN COc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccco3)c2=O)c(OC)c1 ZINC000057293430 569430531 /nfs/dbraw/zinc/43/05/31/569430531.db2.gz XZQJVVOIGHHICE-UHFFFAOYSA-N 0 0 436.424 1.855 50 0 IDAARN C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C[C@H](C)O1 ZINC000227003385 569430892 /nfs/dbraw/zinc/43/08/92/569430892.db2.gz HARZAVKWKDZNJH-WDMOLILDSA-N 0 0 443.572 1.093 50 0 IDAARN O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000057315384 569430912 /nfs/dbraw/zinc/43/09/12/569430912.db2.gz FKNUPJDIYLXVHF-KRWDZBQOSA-N 0 0 449.598 1.792 50 0 IDAARN O=C(CN1CCN(c2ccc3nnnn3n2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000057369356 569432263 /nfs/dbraw/zinc/43/22/63/569432263.db2.gz SORLRQAWQUCBKY-UHFFFAOYSA-N 0 0 440.817 1.952 50 0 IDAARN CCOC(CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)OCC ZINC000002959078 569432466 /nfs/dbraw/zinc/43/24/66/569432466.db2.gz BFNNSXRDKRVFDU-HZPDHXFCSA-N 0 0 441.575 1.886 50 0 IDAARN CCOC(CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)OCC ZINC000002959079 569432458 /nfs/dbraw/zinc/43/24/58/569432458.db2.gz BFNNSXRDKRVFDU-CVEARBPZSA-N 0 0 441.575 1.886 50 0 IDAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 ZINC000057426564 569434603 /nfs/dbraw/zinc/43/46/03/569434603.db2.gz YOEGNSZJWGEWIP-MRXNPFEDSA-N 0 0 429.498 1.577 50 0 IDAARN COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)c1 ZINC000057426905 569434713 /nfs/dbraw/zinc/43/47/13/569434713.db2.gz WQMLVQPOTBQVAP-UHFFFAOYSA-N 0 0 425.470 1.952 50 0 IDAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000057449241 569435146 /nfs/dbraw/zinc/43/51/46/569435146.db2.gz NUZCWVGGADBHJM-UHFFFAOYSA-N 0 0 432.410 1.837 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCOC)c2=O)cc1 ZINC000057485916 569436382 /nfs/dbraw/zinc/43/63/82/569436382.db2.gz QUTNENKXGRWHAL-UHFFFAOYSA-N 0 0 431.470 1.687 50 0 IDAARN COc1ccc(CNC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)cc1OC ZINC000057507491 569438302 /nfs/dbraw/zinc/43/83/02/569438302.db2.gz HEAYJYZLWDVXPK-UHFFFAOYSA-N 0 0 434.456 1.968 50 0 IDAARN COc1ccc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1OC ZINC000057520591 569438762 /nfs/dbraw/zinc/43/87/62/569438762.db2.gz HWPVLVZZQUJZGY-UHFFFAOYSA-N 0 0 445.501 1.413 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1 ZINC000057520672 569438803 /nfs/dbraw/zinc/43/88/03/569438803.db2.gz GABCGUDFLYVOLI-UHFFFAOYSA-N 0 0 443.485 1.182 50 0 IDAARN CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000057611568 569440184 /nfs/dbraw/zinc/44/01/84/569440184.db2.gz RMCJSVVQLDVIJS-KRWDZBQOSA-N 0 0 436.559 1.688 50 0 IDAARN COCCn1c(=O)[nH]c(=O)cc1NC(=S)NC(=O)c1cccc(Br)c1 ZINC000003281249 569443904 /nfs/dbraw/zinc/44/39/04/569443904.db2.gz ZAVVFDGOZCRTJE-UHFFFAOYSA-N 0 0 427.280 1.072 50 0 IDAARN O=C(CSc1nnnn1-c1ccccc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003323499 569446062 /nfs/dbraw/zinc/44/60/62/569446062.db2.gz YDZLKNCFFSJVCZ-GOSISDBHSA-N 0 0 443.554 1.970 50 0 IDAARN Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)no1 ZINC000003337586 569446706 /nfs/dbraw/zinc/44/67/06/569446706.db2.gz AMOCCFNQXCMRQX-UHFFFAOYSA-N 0 0 436.490 1.629 50 0 IDAARN Cc1ccc(Oc2ccc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cn2)cc1C ZINC000058159723 569449144 /nfs/dbraw/zinc/44/91/44/569449144.db2.gz BRIXRLBBYNKDJS-UHFFFAOYSA-N 0 0 434.456 1.877 50 0 IDAARN C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)n3cc(Br)ccc3n1)CS2 ZINC000003397415 569449518 /nfs/dbraw/zinc/44/95/18/569449518.db2.gz SXZQAKATRVHUGV-YVEFUNNKSA-N 0 0 438.303 1.954 50 0 IDAARN CCCn1c2nc(C(C)C)nc(SCC(=O)NC[C@@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000003405888 569449893 /nfs/dbraw/zinc/44/98/93/569449893.db2.gz HHCYYABWCZVWLP-ZDUSSCGKSA-N 0 0 435.550 1.411 50 0 IDAARN CC(C)[C@H](OC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC(N)=O ZINC000003426167 569450538 /nfs/dbraw/zinc/45/05/38/569450538.db2.gz SZUFTFSDDKIZFC-SFHVURJKSA-N 0 0 437.452 1.902 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003446401 569451372 /nfs/dbraw/zinc/45/13/72/569451372.db2.gz ALIYRKIJXKVLOL-CQSZACIVSA-N 0 0 425.532 1.140 50 0 IDAARN C[C@]1(NC(=O)CCC(=O)c2ccc(I)cc2)CCS(=O)(=O)C1 ZINC000030998181 569452201 /nfs/dbraw/zinc/45/22/01/569452201.db2.gz WFKQFOQVXCZUAL-HNNXBMFYSA-N 0 0 435.283 1.948 50 0 IDAARN CCS(=O)(=O)N1CCC(NC(=O)Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000031000917 569452355 /nfs/dbraw/zinc/45/23/55/569452355.db2.gz CBQMAXCQEHZKST-UHFFFAOYSA-N 0 0 449.367 1.939 50 0 IDAARN O=C(NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccco1 ZINC000031051718 569452949 /nfs/dbraw/zinc/45/29/49/569452949.db2.gz YRTKIFZZHXQORV-NSHDSACASA-N 0 0 431.923 1.694 50 0 IDAARN Cc1cc(OC2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)cc(=O)n1C ZINC000217779606 569453123 /nfs/dbraw/zinc/45/31/23/569453123.db2.gz KOJOFOXZILTJFO-UHFFFAOYSA-N 0 0 433.486 1.371 50 0 IDAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000003531276 569453446 /nfs/dbraw/zinc/45/34/46/569453446.db2.gz IYWGOCURALJNJM-OAHLLOKOSA-N 0 0 432.527 1.982 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cccc(C)c3O)CC2)cc1 ZINC000003536436 569453523 /nfs/dbraw/zinc/45/35/23/569453523.db2.gz OGEQEMKDJCIHGS-UHFFFAOYSA-N 0 0 432.498 1.699 50 0 IDAARN C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000003594529 569454604 /nfs/dbraw/zinc/45/46/04/569454604.db2.gz DUDFTNQBHGMJSM-IBGZPJMESA-N 0 0 445.273 1.954 50 0 IDAARN O=C(NCc1cccnc1-n1cccn1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000031226636 569454965 /nfs/dbraw/zinc/45/49/65/569454965.db2.gz WUIGMGILKWKJQN-SFHVURJKSA-N 0 0 425.514 1.984 50 0 IDAARN COC(=O)C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000031494504 569456544 /nfs/dbraw/zinc/45/65/44/569456544.db2.gz LULKZMNVJYXXRK-MRXNPFEDSA-N 0 0 425.441 1.985 50 0 IDAARN COc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000031611313 569456852 /nfs/dbraw/zinc/45/68/52/569456852.db2.gz KAKXBGKPFHLDAY-HOCLYGCPSA-N 0 0 444.575 1.517 50 0 IDAARN COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000031772974 569457292 /nfs/dbraw/zinc/45/72/92/569457292.db2.gz KTNFGOLMSSDANC-QGZVFWFLSA-N 0 0 445.540 1.457 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000031811152 569457743 /nfs/dbraw/zinc/45/77/43/569457743.db2.gz MKMOGZLJTJTUOT-UHFFFAOYSA-N 0 0 426.539 1.001 50 0 IDAARN Cn1c(=O)c(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(N)n(Cc2ccccc2)c1=O ZINC000031813512 569457824 /nfs/dbraw/zinc/45/78/24/569457824.db2.gz LIYVFBTVGWOFCB-UHFFFAOYSA-N 0 0 434.374 1.241 50 0 IDAARN O=C(NCc1cccc(OCC(F)(F)F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000058951936 569458280 /nfs/dbraw/zinc/45/82/80/569458280.db2.gz UVXUFBPQEUGLJB-CYBMUJFWSA-N 0 0 447.435 1.409 50 0 IDAARN Cc1ccc(S(=O)(=O)NN=c2ccc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1C ZINC000032093687 569459746 /nfs/dbraw/zinc/45/97/46/569459746.db2.gz PURKPOLTEQTDNI-UHFFFAOYSA-N 0 0 426.520 1.025 50 0 IDAARN O=C(NCc1nc(-c2cccnc2)no1)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@@H]13)O2 ZINC000670460725 569460917 /nfs/dbraw/zinc/46/09/17/569460917.db2.gz RQDARUYCYFMLRT-YCMMZOLNSA-N 0 0 435.484 1.863 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000032333179 569461327 /nfs/dbraw/zinc/46/13/27/569461327.db2.gz TYPBOXHMYLELRS-HXUWFJFHSA-N 0 0 442.539 1.699 50 0 IDAARN CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2cc(OC)ccc2OC)c1C ZINC000008755122 569473927 /nfs/dbraw/zinc/47/39/27/569473927.db2.gz VMQXNZBHONMVPY-UHFFFAOYSA-N 0 0 431.536 1.785 50 0 IDAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)Cn2cnc3ccccc32)C[C@H](C)O1 ZINC000038483733 569462745 /nfs/dbraw/zinc/46/27/45/569462745.db2.gz QGPBOHSFNJALKF-IYBDPMFKSA-N 0 0 434.504 1.606 50 0 IDAARN COc1ccc(-c2cc3c4nnc(CCC(=O)N5CCC(C(N)=O)CC5)n4ccn3n2)cc1 ZINC000038487366 569462904 /nfs/dbraw/zinc/46/29/04/569462904.db2.gz YQUDTISZPNFJTO-UHFFFAOYSA-N 0 0 447.499 1.709 50 0 IDAARN Cc1nc(NC(=O)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)sc1C(=O)N(C)C ZINC000038488418 569463051 /nfs/dbraw/zinc/46/30/51/569463051.db2.gz ZLXWRYGLRFUOQE-CYBMUJFWSA-N 0 0 439.563 1.507 50 0 IDAARN O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CCN(C(=O)C2CC2)CC1 ZINC000008771017 569475148 /nfs/dbraw/zinc/47/51/48/569475148.db2.gz YQBUBAYAIOIACR-UHFFFAOYSA-N 0 0 434.345 1.743 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204924 569464481 /nfs/dbraw/zinc/46/44/81/569464481.db2.gz ZMKFCUJGUJAMPB-FQEVSTJZSA-N 0 0 425.464 1.824 50 0 IDAARN COCc1cc(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(N2CCOCC2)n1 ZINC000067219928 569465012 /nfs/dbraw/zinc/46/50/12/569465012.db2.gz WYURNAGPZQOEOL-UHFFFAOYSA-N 0 0 426.395 1.884 50 0 IDAARN O=C1CCCC(=O)N1CCS(=O)(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000038677605 569466609 /nfs/dbraw/zinc/46/66/09/569466609.db2.gz OJLLLMXMKBONDA-UHFFFAOYSA-N 0 0 449.938 1.161 50 0 IDAARN O=C(Nc1cc2c3c(c1)CCC(=O)N3CC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000038680424 569466767 /nfs/dbraw/zinc/46/67/67/569466767.db2.gz UKTATOMKTNGNAS-UHFFFAOYSA-N 0 0 441.509 1.795 50 0 IDAARN CCOC(=O)N1CCN(CC2=NC(=O)N[C@@H](c3cccc(OC)c3)C2C(=O)OC)CC1 ZINC000067287827 569467267 /nfs/dbraw/zinc/46/72/67/569467267.db2.gz HQSQIMYTESYVCX-SFHVURJKSA-N 0 0 432.477 1.250 50 0 IDAARN CCOC(=O)C1CCN(CC2=NC(=O)N[C@H](c3cccc(OC)c3)C2C(=O)OC)CC1 ZINC000067287809 569467330 /nfs/dbraw/zinc/46/73/30/569467330.db2.gz QDDSTWUPBOBQLJ-LJQANCHMSA-N 0 0 431.489 1.751 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)CC1 ZINC000038731522 569468346 /nfs/dbraw/zinc/46/83/46/569468346.db2.gz MDTFJZPXHPGZQQ-HZPDHXFCSA-N 0 0 425.576 1.194 50 0 IDAARN COCc1cc(=O)n(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c(N2CCOCC2)n1 ZINC000067319471 569468531 /nfs/dbraw/zinc/46/85/31/569468531.db2.gz SDXBXXYYCWWEFJ-HNNXBMFYSA-N 0 0 446.504 1.121 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 ZINC000067336876 569468923 /nfs/dbraw/zinc/46/89/23/569468923.db2.gz HHKYHAQMLZHJNN-UHFFFAOYSA-N 0 0 447.448 1.029 50 0 IDAARN CCn1cc(C(=O)N2C[C@@H]2C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338427 569468947 /nfs/dbraw/zinc/46/89/47/569468947.db2.gz DDTCCEKPJCASEV-AJWVYOOVSA-N 0 0 431.562 1.875 50 0 IDAARN COC(=O)CS(=O)(=O)c1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000008606818 569469350 /nfs/dbraw/zinc/46/93/50/569469350.db2.gz OQDBMGNDSYELAE-CYBMUJFWSA-N 0 0 425.463 1.825 50 0 IDAARN CCOC(=O)Cn1c(=O)n(C[C@H]2CCCO2)c2nc(-c3ccccc3)nc(C(N)=O)c21 ZINC000008610630 569469408 /nfs/dbraw/zinc/46/94/08/569469408.db2.gz XYJQNEGRGZNYOG-CQSZACIVSA-N 0 0 425.445 1.101 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000038946937 569469621 /nfs/dbraw/zinc/46/96/21/569469621.db2.gz GRFRPIBESVQMRF-RBUKOAKNSA-N 0 0 437.537 1.272 50 0 IDAARN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O)c1cccs1 ZINC000008704904 569470366 /nfs/dbraw/zinc/47/03/66/569470366.db2.gz RYDFSALPXCGJDA-BLVKFPJESA-N 0 0 425.474 1.368 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2cccc(Br)c2)C1=O ZINC000008705835 569470423 /nfs/dbraw/zinc/47/04/23/569470423.db2.gz DSBNDWAGOQBICG-IBGZPJMESA-N 0 0 445.273 1.677 50 0 IDAARN Cc1c(C)n2c3c(nc2n1CCO)n(C)c(=O)n(Cc1ccc(Br)cc1)c3=O ZINC000008706361 569470517 /nfs/dbraw/zinc/47/05/17/569470517.db2.gz OQXWMDXQSUZJRM-UHFFFAOYSA-N 0 0 446.305 1.569 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(C)cc2)c(=O)n3C)n1CCOCCO ZINC000008706294 569470527 /nfs/dbraw/zinc/47/05/27/569470527.db2.gz UEWSTPFPQFAWOQ-UHFFFAOYSA-N 0 0 425.489 1.132 50 0 IDAARN CC(C)n1nnnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008707220 569470549 /nfs/dbraw/zinc/47/05/49/569470549.db2.gz RKIGTYMSISHHJK-CYBMUJFWSA-N 0 0 440.551 1.394 50 0 IDAARN C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-n2cncn2)cc1 ZINC000008708077 569470604 /nfs/dbraw/zinc/47/06/04/569470604.db2.gz CTJGWPDFNZBXQR-QGZVFWFLSA-N 0 0 430.468 1.516 50 0 IDAARN Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccccc3Cl)c2c(=O)n(CC(N)=O)c1=O ZINC000008708913 569470727 /nfs/dbraw/zinc/47/07/27/569470727.db2.gz RRGZHNKBXLJLKV-UHFFFAOYSA-N 0 0 448.870 1.944 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000008724183 569471933 /nfs/dbraw/zinc/47/19/33/569471933.db2.gz YHUNOXCBKABOGV-UHFFFAOYSA-N 0 0 428.461 1.905 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008749835 569473340 /nfs/dbraw/zinc/47/33/40/569473340.db2.gz BAZNEZVRJUEECW-ZDUSSCGKSA-N 0 0 434.470 1.560 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)c1 ZINC000008755330 569473962 /nfs/dbraw/zinc/47/39/62/569473962.db2.gz BXJLNJQBAQTNPY-UHFFFAOYSA-N 0 0 443.547 1.929 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1O)OC(C)(C)CC3 ZINC000008764291 569474597 /nfs/dbraw/zinc/47/45/97/569474597.db2.gz CVATZHPMBPCGPH-JKSUJKDBSA-N 0 0 435.498 1.022 50 0 biogenic IDAARN CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3C(=O)N3C[C@@H](O)C[C@H]3C2=O)cc1 ZINC000008764698 569474615 /nfs/dbraw/zinc/47/46/15/569474615.db2.gz DESZYDYJLPTHRE-LPHOPBHVSA-N 0 0 437.452 1.424 50 0 biogenic IDAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H]4CS(=O)(=O)C[C@H]4O)c(C)c3cc2c1C ZINC000008765227 569474730 /nfs/dbraw/zinc/47/47/30/569474730.db2.gz CWLPYTGPRICPQL-IAGOWNOFSA-N 0 0 433.482 1.671 50 0 biogenic IDAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3ccncc3)s2)cc1 ZINC000008770615 569475157 /nfs/dbraw/zinc/47/51/57/569475157.db2.gz KUVDLGXKNWYFDD-GFMRDNFCSA-N 0 0 436.497 1.795 50 0 IDAARN CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)C1 ZINC000008775076 569475327 /nfs/dbraw/zinc/47/53/27/569475327.db2.gz CDTJDXNIAPKPFV-KRWDZBQOSA-N 0 0 439.516 1.570 50 0 IDAARN Cc1cc(C)c2c3ccccc3n(CCNS(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)c2n1 ZINC000008777814 569475432 /nfs/dbraw/zinc/47/54/32/569475432.db2.gz CANPJIDYSUAHIH-QGZVFWFLSA-N 0 0 427.486 1.805 50 0 IDAARN CCCCCN(C(=O)CSc1cccc[n+]1[O-])c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000008824373 569477204 /nfs/dbraw/zinc/47/72/04/569477204.db2.gz RZWCHOXBAIAOQW-UHFFFAOYSA-N 0 0 435.550 1.868 50 0 IDAARN CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 ZINC000008840362 569478333 /nfs/dbraw/zinc/47/83/33/569478333.db2.gz BVZYTQSFIYCBCU-UHFFFAOYSA-N 0 0 438.527 1.966 50 0 IDAARN NC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)n2)cc1 ZINC000008848246 569479129 /nfs/dbraw/zinc/47/91/29/569479129.db2.gz NSHGAZQSJMGHSS-UHFFFAOYSA-N 0 0 433.472 1.750 50 0 IDAARN COc1ccc(N2CCn3c2nn(CC(=O)N2CCCc4ccccc42)c(=O)c3=O)cc1 ZINC000008849108 569479172 /nfs/dbraw/zinc/47/91/72/569479172.db2.gz RSLOYUMCKUCOML-UHFFFAOYSA-N 0 0 433.468 1.545 50 0 IDAARN CCOc1ccccc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1 ZINC000008848901 569479195 /nfs/dbraw/zinc/47/91/95/569479195.db2.gz UFOFKDMYDCUOQC-UHFFFAOYSA-N 0 0 425.420 1.733 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1 ZINC000008849055 569479217 /nfs/dbraw/zinc/47/92/17/569479217.db2.gz ZAABFWPXAREZDC-UHFFFAOYSA-N 0 0 445.838 1.997 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000008861559 569480046 /nfs/dbraw/zinc/48/00/46/569480046.db2.gz DZLIFKQHPGMAKV-CQSZACIVSA-N 0 0 434.452 1.706 50 0 IDAARN O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(-n2cnnn2)c1 ZINC000008877194 569481194 /nfs/dbraw/zinc/48/11/94/569481194.db2.gz XERALSWCOJMJAG-UHFFFAOYSA-N 0 0 429.458 1.040 50 0 IDAARN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000039996270 569482383 /nfs/dbraw/zinc/48/23/83/569482383.db2.gz CSWQRQHVYRARBX-ZWKOTPCHSA-N 0 0 445.541 1.634 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000039996268 569482404 /nfs/dbraw/zinc/48/24/04/569482404.db2.gz CSWQRQHVYRARBX-ROUUACIJSA-N 0 0 445.541 1.634 50 0 IDAARN CC(C)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000040002609 569482480 /nfs/dbraw/zinc/48/24/80/569482480.db2.gz HQSNKALIHSJOSX-LBPRGKRZSA-N 0 0 438.413 1.978 50 0 IDAARN COCCNc1nnc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)s1 ZINC000008894630 569483711 /nfs/dbraw/zinc/48/37/11/569483711.db2.gz DDQFXVVZZBSHDF-UHFFFAOYSA-N 0 0 428.540 1.220 50 0 IDAARN CCC(=O)N(c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1)C1CC1 ZINC000008898208 569483977 /nfs/dbraw/zinc/48/39/77/569483977.db2.gz OGNYWBKLUMIKNE-UHFFFAOYSA-N 0 0 436.519 1.186 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000040050309 569484140 /nfs/dbraw/zinc/48/41/40/569484140.db2.gz PVXWSHZOLDJZKN-OSPHWJPCSA-N 0 0 444.495 1.829 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000040051454 569484511 /nfs/dbraw/zinc/48/45/11/569484511.db2.gz AWGGDGAVUFLAFV-UHFFFAOYSA-N 0 0 431.504 1.855 50 0 IDAARN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000008917844 569486097 /nfs/dbraw/zinc/48/60/97/569486097.db2.gz MMQUYVMIBCZPRK-LAPQFRIASA-N 0 0 448.472 1.568 50 0 biogenic IDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)[C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000040086512 569486643 /nfs/dbraw/zinc/48/66/43/569486643.db2.gz SAXLEIFTTHSKPB-BISSLNBESA-N 0 0 426.517 2.000 50 0 IDAARN Cc1csc(=O)n1CCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000040089042 569487006 /nfs/dbraw/zinc/48/70/06/569487006.db2.gz ZKFQXONWADYLHD-UHFFFAOYSA-N 0 0 427.523 1.717 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)C2CCN(c3nn4c(nc(C)cc4=O)s3)CC2)CC1 ZINC000008933755 569487838 /nfs/dbraw/zinc/48/78/38/569487838.db2.gz AVFJRUGKTXYRBR-UHFFFAOYSA-N 0 0 448.549 1.413 50 0 IDAARN CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1 ZINC000008934499 569487961 /nfs/dbraw/zinc/48/79/61/569487961.db2.gz VELLQBKHOJLNSX-SNVBAGLBSA-N 0 0 441.307 1.348 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008937077 569488102 /nfs/dbraw/zinc/48/81/02/569488102.db2.gz LBLNWNVGUJBDTB-QMMMGPOBSA-N 0 0 434.396 1.130 50 0 IDAARN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)n1 ZINC000040107529 569488505 /nfs/dbraw/zinc/48/85/05/569488505.db2.gz IRJZIHVRINPGEW-UYAOXDASSA-N 0 0 444.557 1.183 50 0 IDAARN COCCNc1nc(SC)nc2c1cnn2CCNC(=O)COc1ccc(F)cc1 ZINC000008943864 569488875 /nfs/dbraw/zinc/48/88/75/569488875.db2.gz NKUODVVKKUFGCW-UHFFFAOYSA-N 0 0 434.497 1.941 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)o1 ZINC000040116461 569489240 /nfs/dbraw/zinc/48/92/40/569489240.db2.gz BNZOWCZBERDWHL-LJQANCHMSA-N 0 0 435.458 1.268 50 0 IDAARN CCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1S(N)(=O)=O ZINC000040118647 569489290 /nfs/dbraw/zinc/48/92/90/569489290.db2.gz YQVBXDLNCYZHDV-UHFFFAOYSA-N 0 0 427.504 1.665 50 0 IDAARN O=C(CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CCCc2ccccc21 ZINC000040122539 569489621 /nfs/dbraw/zinc/48/96/21/569489621.db2.gz LEJFQSMLACNWQN-UHFFFAOYSA-N 0 0 447.513 1.400 50 0 IDAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cnn(-c2ccccc2)n1 ZINC000040127713 569489768 /nfs/dbraw/zinc/48/97/68/569489768.db2.gz OIQBCFLDHZPMPQ-UHFFFAOYSA-N 0 0 427.486 1.730 50 0 IDAARN O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000040129726 569489831 /nfs/dbraw/zinc/48/98/31/569489831.db2.gz CUBBTKMSQFGVNU-QGZVFWFLSA-N 0 0 429.498 1.974 50 0 IDAARN O=C(CCCNc1ncccn1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000040130606 569490316 /nfs/dbraw/zinc/49/03/16/569490316.db2.gz XNCVOGRVHJXETO-UHFFFAOYSA-N 0 0 429.546 1.691 50 0 IDAARN O=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000008965798 569491556 /nfs/dbraw/zinc/49/15/56/569491556.db2.gz AMYJBSFLTKBQMY-UHFFFAOYSA-N 0 0 438.513 1.298 50 0 IDAARN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)o1 ZINC000040142133 569491859 /nfs/dbraw/zinc/49/18/59/569491859.db2.gz VBOYQRMNEXRCEN-VXGBXAGGSA-N 0 0 437.440 1.580 50 0 IDAARN C[C@@]1(NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)CCS(=O)(=O)C1 ZINC000040149615 569492521 /nfs/dbraw/zinc/49/25/21/569492521.db2.gz RAOWCTXLLFDFEP-SCLBCKFNSA-N 0 0 428.942 1.079 50 0 IDAARN Cc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)cc1NC(=O)N[C@@H]1CCCCNC1=O ZINC000040149909 569492655 /nfs/dbraw/zinc/49/26/55/569492655.db2.gz CISJWEXZCQCCSA-HZPDHXFCSA-N 0 0 430.509 1.575 50 0 IDAARN Cc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)cc1NC(=O)N[C@H]1CCCCNC1=O ZINC000040149910 569492690 /nfs/dbraw/zinc/49/26/90/569492690.db2.gz CISJWEXZCQCCSA-CVEARBPZSA-N 0 0 430.509 1.575 50 0 IDAARN Cc1ccc(NC(=O)N[C@H]2CCCCNC2=O)cc1NC(=O)N[C@@H]1CCCCNC1=O ZINC000040149911 569492697 /nfs/dbraw/zinc/49/26/97/569492697.db2.gz CISJWEXZCQCCSA-JKSUJKDBSA-N 0 0 430.509 1.575 50 0 IDAARN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@H](C)O1 ZINC000040152619 569493478 /nfs/dbraw/zinc/49/34/78/569493478.db2.gz QZOFNGQBTSZMJX-BETUJISGSA-N 0 0 443.522 1.888 50 0 IDAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000008987173 569494910 /nfs/dbraw/zinc/49/49/10/569494910.db2.gz AJSNYQBPZNIBTO-QGZVFWFLSA-N 0 0 440.481 1.107 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N=c1[nH]c2ccccc2[nH]1 ZINC000008992780 569495363 /nfs/dbraw/zinc/49/53/63/569495363.db2.gz UYGSSGBYOKHKNO-OAHLLOKOSA-N 0 0 441.513 1.140 50 0 IDAARN Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cn(CC(N)=O)c3ccccc23)C1=O ZINC000008995428 569495628 /nfs/dbraw/zinc/49/56/28/569495628.db2.gz DWGHYXFUNVRHSU-ZDLGFXPLSA-N 0 0 431.452 1.966 50 0 IDAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 ZINC000008995803 569495720 /nfs/dbraw/zinc/49/57/20/569495720.db2.gz UXFSOUTUHAOUSO-XOBRGWDASA-N 0 0 427.457 1.818 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O)c1ccc2c(c1)OCCO2 ZINC000009000942 569495938 /nfs/dbraw/zinc/49/59/38/569495938.db2.gz YMUXWACMCPILQK-UHFFFAOYSA-N 0 0 430.420 1.656 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000009001077 569495943 /nfs/dbraw/zinc/49/59/43/569495943.db2.gz CUGHEBIUVYCIFT-UHFFFAOYSA-N 0 0 431.408 1.369 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)c1 ZINC000009001629 569496026 /nfs/dbraw/zinc/49/60/26/569496026.db2.gz AKDTZJXNZWVVIX-UHFFFAOYSA-N 0 0 444.451 1.599 50 0 IDAARN Cc1ccc(NC(=O)CSc2nncn2C)cc1NC(=O)CSc1nncn1C ZINC000009026743 569497017 /nfs/dbraw/zinc/49/70/17/569497017.db2.gz QNOKOTRDKQWSEM-UHFFFAOYSA-N 0 0 432.535 1.714 50 0 IDAARN CCc1ncnc(O[C@H]2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)C2)c1F ZINC000245053641 569497118 /nfs/dbraw/zinc/49/71/18/569497118.db2.gz PEFSKJQDOFHPFZ-HNNXBMFYSA-N 0 0 446.504 1.855 50 0 IDAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2ccc(OC)cc2)n1 ZINC000009038154 569497408 /nfs/dbraw/zinc/49/74/08/569497408.db2.gz BCBAUZLBCZPKBQ-UHFFFAOYSA-N 0 0 438.488 1.523 50 0 IDAARN Cc1cc(NC(=O)C(=O)NCc2ccc(Cl)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009039890 569497450 /nfs/dbraw/zinc/49/74/50/569497450.db2.gz QHTCCAQPWNXCQC-UHFFFAOYSA-N 0 0 426.864 1.661 50 0 IDAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1ccccc1 ZINC000245130839 569497495 /nfs/dbraw/zinc/49/74/95/569497495.db2.gz VADVOLSTRCVERX-IVDHNXQLSA-N 0 0 439.486 1.435 50 0 IDAARN COc1ccc(NC(=O)C(=O)NCCn2nc(C)cc2C)cc1N1CCCCS1(=O)=O ZINC000040285095 569498036 /nfs/dbraw/zinc/49/80/36/569498036.db2.gz ZPHYWBISDQEVHO-UHFFFAOYSA-N 0 0 449.533 1.193 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](CO)c3ccccc3)C2)cc1 ZINC000009047594 569498515 /nfs/dbraw/zinc/49/85/15/569498515.db2.gz HJFXDHFPFRTTOK-WIYYLYMNSA-N 0 0 445.541 1.896 50 0 IDAARN O=C(N[C@H](CO)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009050993 569498657 /nfs/dbraw/zinc/49/86/57/569498657.db2.gz RMNFUWQGSZPCEF-DOTOQJQBSA-N 0 0 446.554 1.942 50 0 IDAARN O=C(NCCCn1ccnc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009060290 569499392 /nfs/dbraw/zinc/49/93/92/569499392.db2.gz QDSJOWQQDIYOIH-AWEZNQCLSA-N 0 0 434.547 1.495 50 0 IDAARN CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000245227677 569499722 /nfs/dbraw/zinc/49/97/22/569499722.db2.gz SMWDBPKQNHBCGZ-XVIXHAIJSA-N 0 0 433.301 1.047 50 0 IDAARN O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009083321 569500570 /nfs/dbraw/zinc/50/05/70/569500570.db2.gz PHBWBIHFJTWWCD-UHFFFAOYSA-N 0 0 434.503 1.248 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000009094932 569501254 /nfs/dbraw/zinc/50/12/54/569501254.db2.gz WXTGRXDLGQVIKT-UHFFFAOYSA-N 0 0 433.486 1.132 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009096282 569501433 /nfs/dbraw/zinc/50/14/33/569501433.db2.gz CWRYHEGIPVIJKT-UHFFFAOYSA-N 0 0 430.479 1.656 50 0 IDAARN O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009118726 569503379 /nfs/dbraw/zinc/50/33/79/569503379.db2.gz CUYWSNFMOFZYKN-QGZVFWFLSA-N 0 0 426.498 1.640 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c(C)c1 ZINC000009119520 569503536 /nfs/dbraw/zinc/50/35/36/569503536.db2.gz JKJWGLWDYVJTLA-UHFFFAOYSA-N 0 0 425.474 1.208 50 0 IDAARN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000245339111 569504153 /nfs/dbraw/zinc/50/41/53/569504153.db2.gz QMVJJAKMYFBGKW-SQNIBIBYSA-N 0 0 429.583 1.477 50 0 IDAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009128438 569505419 /nfs/dbraw/zinc/50/54/19/569505419.db2.gz ZTRTXUDQXQOWFP-UHFFFAOYSA-N 0 0 445.570 1.504 50 0 IDAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CCCSc2nnnn2C)c(=O)[nH]c1=O ZINC000009128731 569505487 /nfs/dbraw/zinc/50/54/87/569505487.db2.gz MILDJALEVIQRMK-UHFFFAOYSA-N 0 0 438.558 1.004 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1nnc2ccccn21 ZINC000009129653 569505788 /nfs/dbraw/zinc/50/57/88/569505788.db2.gz NOYZCXMIXVJOFP-QGZVFWFLSA-N 0 0 447.586 1.797 50 0 IDAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-n3cccn3)c(F)c2)C[C@H](C)O1 ZINC000069459986 569506648 /nfs/dbraw/zinc/50/66/48/569506648.db2.gz MMEYEVSWPHQXTG-KBPBESRZSA-N 0 0 425.486 1.572 50 0 IDAARN COc1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O ZINC000040478068 569506666 /nfs/dbraw/zinc/50/66/66/569506666.db2.gz DNFIEGDWGURKCR-UHFFFAOYSA-N 0 0 426.383 1.962 50 0 IDAARN COc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c1 ZINC000040478063 569506693 /nfs/dbraw/zinc/50/66/93/569506693.db2.gz RMHXJIDFUBAVAV-UHFFFAOYSA-N 0 0 426.383 1.962 50 0 IDAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)c1 ZINC000040478160 569506702 /nfs/dbraw/zinc/50/67/02/569506702.db2.gz KSRSHCHPYOPMAO-UHFFFAOYSA-N 0 0 448.439 1.090 50 0 IDAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(C(C)=O)cc2)c3=O)c1 ZINC000040478156 569506738 /nfs/dbraw/zinc/50/67/38/569506738.db2.gz OFMOXBLSYWQIFU-UHFFFAOYSA-N 0 0 432.440 1.886 50 0 IDAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2cccc(C(C)=O)c2)c3=O)c1 ZINC000040478153 569506746 /nfs/dbraw/zinc/50/67/46/569506746.db2.gz OWXGXFRFJQQJPB-UHFFFAOYSA-N 0 0 432.440 1.886 50 0 IDAARN Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc2c1n(C)c(=O)n(C)c2=O ZINC000009166793 569508908 /nfs/dbraw/zinc/50/89/08/569508908.db2.gz BJWQLBADSCAVAG-UHFFFAOYSA-N 0 0 438.307 1.464 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@]12c1ccccc1NC2=O ZINC000009189945 569510544 /nfs/dbraw/zinc/51/05/44/569510544.db2.gz PDBRRUIOLAGAFM-JCQPUDPBSA-N 0 0 437.452 1.310 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000009195890 569510969 /nfs/dbraw/zinc/51/09/69/569510969.db2.gz ZPBBBYDTFPDTKS-XWIAVFTESA-N 0 0 427.457 1.857 50 0 IDAARN CC[C@@H](COc1nnnc2ccccc21)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000009203910 569511283 /nfs/dbraw/zinc/51/12/83/569511283.db2.gz YRTQGUNVVDDWRQ-ZDUSSCGKSA-N 0 0 426.462 1.136 50 0 IDAARN COc1cccc(C[C@H](C(=O)NCc2ccnc(-n3ccnc3C)c2)n2nnnc2C)c1 ZINC000069652697 569511498 /nfs/dbraw/zinc/51/14/98/569511498.db2.gz YZRNQIPZJTUIMS-HXUWFJFHSA-N 0 0 432.488 1.979 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1cccnc1 ZINC000009216073 569512089 /nfs/dbraw/zinc/51/20/89/569512089.db2.gz BTOHYXINWIXQDJ-LJQANCHMSA-N 0 0 445.357 1.120 50 0 IDAARN COc1cc(CCC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc(OC)c1 ZINC000009217751 569512341 /nfs/dbraw/zinc/51/23/41/569512341.db2.gz YNAYVIZZAXDUKY-UHFFFAOYSA-N 0 0 444.532 1.211 50 0 IDAARN COCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 ZINC000009238843 569514385 /nfs/dbraw/zinc/51/43/85/569514385.db2.gz BKQNPSOSMFNWNO-KGLIPLIRSA-N 0 0 442.339 1.879 50 0 IDAARN COCCNC(=O)[C@@H]1Sc2nnc(C)n2N[C@@H]1c1ccc(OC)c(Br)c1 ZINC000009238841 569514429 /nfs/dbraw/zinc/51/44/29/569514429.db2.gz BKQNPSOSMFNWNO-ZIAGYGMSSA-N 0 0 442.339 1.879 50 0 IDAARN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)C2=O)c1 ZINC000009244877 569515132 /nfs/dbraw/zinc/51/51/32/569515132.db2.gz MWAFOJKENHDGAU-QHCPKHFHSA-N 0 0 449.467 1.753 50 0 IDAARN CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@]3(CCOc4ccccc43)C1=O)OCO2 ZINC000009245603 569515377 /nfs/dbraw/zinc/51/53/77/569515377.db2.gz QZNYQSWXGVDZAB-JOCHJYFZSA-N 0 0 437.408 1.786 50 0 IDAARN CN(c1ccc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1)S(C)(=O)=O ZINC000009245725 569515379 /nfs/dbraw/zinc/51/53/79/569515379.db2.gz BCLDSQOBCVBFIT-UHFFFAOYSA-N 0 0 447.513 1.946 50 0 IDAARN Cc1ccc(C)c(-c2nn(CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc32)c1 ZINC000009256398 569516749 /nfs/dbraw/zinc/51/67/49/569516749.db2.gz YQPUCNGLXUZGTC-MRXNPFEDSA-N 0 0 425.510 1.984 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000009257600 569516857 /nfs/dbraw/zinc/51/68/57/569516857.db2.gz BAVKVACZHMILRU-UHFFFAOYSA-N 0 0 436.559 1.491 50 0 IDAARN O=C(NCc1ccco1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000009265846 569517373 /nfs/dbraw/zinc/51/73/73/569517373.db2.gz ZFLLNSYQRLRMCW-CQSZACIVSA-N 0 0 434.499 1.561 50 0 IDAARN CC(C)NS(=O)(=O)c1cn(CC(=O)NC2CCCCC2)cc1S(=O)(=O)NC(C)C ZINC000009266006 569517378 /nfs/dbraw/zinc/51/73/78/569517378.db2.gz ARQGTHLWPLMYNC-UHFFFAOYSA-N 0 0 448.611 1.310 50 0 IDAARN O=C(c1cccs1)N1CCC[C@H]1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000009283083 569518813 /nfs/dbraw/zinc/51/88/13/569518813.db2.gz MSKBVOIWUWCJQK-PMPSAXMXSA-N 0 0 426.560 1.547 50 0 IDAARN COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 ZINC000009283396 569518875 /nfs/dbraw/zinc/51/88/75/569518875.db2.gz ITTHZAUWSTUXNJ-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000009283580 569518886 /nfs/dbraw/zinc/51/88/86/569518886.db2.gz WKUATNFSYLBPRQ-UHFFFAOYSA-N 0 0 442.225 1.796 50 0 IDAARN CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000009292951 569520049 /nfs/dbraw/zinc/52/00/49/569520049.db2.gz SROZKBGJUUQCEK-GOSISDBHSA-N 0 0 449.511 1.510 50 0 IDAARN Cn1c2nc(NCc3ccccc3)n(C[C@@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000009292932 569520076 /nfs/dbraw/zinc/52/00/76/569520076.db2.gz FFLUCQHJFUWYLV-QGZVFWFLSA-N 0 0 435.484 1.486 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)CC1 ZINC000009300909 569520649 /nfs/dbraw/zinc/52/06/49/569520649.db2.gz ONUZJOYQYQDZSY-CQSZACIVSA-N 0 0 442.497 1.845 50 0 IDAARN CCn1cc(C(=O)NCCCCCC(=O)N(C)CCO)c(=O)c2cc3c(cc21)OCO3 ZINC000009306815 569521324 /nfs/dbraw/zinc/52/13/24/569521324.db2.gz GWTDREDZUWEEQN-UHFFFAOYSA-N 0 0 431.489 1.491 50 0 IDAARN Cc1ccc(NC(=O)CN2CCC(C(N)=O)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009314382 569522020 /nfs/dbraw/zinc/52/20/20/569522020.db2.gz ZPIRMFITBZVQEX-UHFFFAOYSA-N 0 0 436.578 1.696 50 0 IDAARN CCCn1c(CSc2nc(N)n[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009319324 569522455 /nfs/dbraw/zinc/52/24/55/569522455.db2.gz MNLPKKHNMATDCO-UHFFFAOYSA-N 0 0 437.551 1.460 50 0 IDAARN CCOc1ccc([C@H]2CCCN2C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009337492 569523610 /nfs/dbraw/zinc/52/36/10/569523610.db2.gz YCYCCZBZDANUNI-GOSISDBHSA-N 0 0 439.516 1.976 50 0 IDAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000009339483 569523805 /nfs/dbraw/zinc/52/38/05/569523805.db2.gz KZFVKWYPMLBABJ-UHFFFAOYSA-N 0 0 434.514 1.997 50 0 IDAARN O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccnc1 ZINC000009344669 569524009 /nfs/dbraw/zinc/52/40/09/569524009.db2.gz OJCQWMFVTLYXRB-HNNXBMFYSA-N 0 0 434.493 1.766 50 0 IDAARN CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 ZINC000009344686 569524012 /nfs/dbraw/zinc/52/40/12/569524012.db2.gz BNSFWPQRJBCJOI-OLZOCXBDSA-N 0 0 432.365 1.612 50 0 IDAARN CN(C)C(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 ZINC000009344695 569524017 /nfs/dbraw/zinc/52/40/17/569524017.db2.gz BNSFWPQRJBCJOI-QWHCGFSZSA-N 0 0 432.365 1.612 50 0 IDAARN CN(C)C(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 ZINC000009344691 569524024 /nfs/dbraw/zinc/52/40/24/569524024.db2.gz BNSFWPQRJBCJOI-CHWSQXEVSA-N 0 0 432.365 1.612 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)c2c(=O)n(C)c1=O ZINC000009367314 569526457 /nfs/dbraw/zinc/52/64/57/569526457.db2.gz BBYXYJNXJRRQCJ-UHFFFAOYSA-N 0 0 448.487 1.057 50 0 IDAARN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000009375902 569527250 /nfs/dbraw/zinc/52/72/50/569527250.db2.gz LZFMFFHEJYMJKO-LJQANCHMSA-N 0 0 425.514 1.864 50 0 IDAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1cccnc1 ZINC000009376174 569527294 /nfs/dbraw/zinc/52/72/94/569527294.db2.gz KFRHZYZOQJAMJR-UHFFFAOYSA-N 0 0 430.486 1.481 50 0 IDAARN O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCS(=O)(=O)C1 ZINC000009390417 569528693 /nfs/dbraw/zinc/52/86/93/569528693.db2.gz JSLZGCCVZFABGE-GFCCVEGCSA-N 0 0 445.906 1.329 50 0 IDAARN O=C(COC(=O)c1ccc2c(c1)OCCO2)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009390447 569528722 /nfs/dbraw/zinc/52/87/22/569528722.db2.gz KRGPFNVGSVPRLL-QGZVFWFLSA-N 0 0 437.514 1.963 50 0 IDAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1C ZINC000009407869 569530323 /nfs/dbraw/zinc/53/03/23/569530323.db2.gz KWGIFRORBGQDRS-UHFFFAOYSA-N 0 0 429.498 1.657 50 0 IDAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c(C)c1 ZINC000009407864 569530343 /nfs/dbraw/zinc/53/03/43/569530343.db2.gz HUJBZBYOUPFDHF-UHFFFAOYSA-N 0 0 429.498 1.657 50 0 IDAARN COc1ccccc1N(C)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000009407905 569530370 /nfs/dbraw/zinc/53/03/70/569530370.db2.gz JHNNLPMGUATGOZ-UHFFFAOYSA-N 0 0 445.497 1.073 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000009407910 569530382 /nfs/dbraw/zinc/53/03/82/569530382.db2.gz SBKKJQDQEMSESD-UHFFFAOYSA-N 0 0 426.520 1.184 50 0 IDAARN COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)NCCc2ccccc2)c1=O)CCC3 ZINC000009410387 569531314 /nfs/dbraw/zinc/53/13/14/569531314.db2.gz GHXVHIBOQCXBDO-UHFFFAOYSA-N 0 0 441.509 1.245 50 0 IDAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009411878 569531507 /nfs/dbraw/zinc/53/15/07/569531507.db2.gz LSBTZWZVDULUOO-INIZCTEOSA-N 0 0 446.573 1.755 50 0 IDAARN CCn1cc(C(=O)N[C@@H](CCSC)C(=O)N(C)CCO)c(=O)c2cc3c(cc21)OCO3 ZINC000009418705 569532435 /nfs/dbraw/zinc/53/24/35/569532435.db2.gz HYEZHXYDYJQCJH-HNNXBMFYSA-N 0 0 449.529 1.052 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccncc3)C2)cc1 ZINC000009420600 569532684 /nfs/dbraw/zinc/53/26/84/569532684.db2.gz OBFRWYNYHRIFAY-OAHLLOKOSA-N 0 0 432.502 1.246 50 0 IDAARN O=C(Cc1n[nH]c(=O)c2ccccc12)NCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000009420930 569532706 /nfs/dbraw/zinc/53/27/06/569532706.db2.gz MYNLMWHOAKVPJI-UHFFFAOYSA-N 0 0 444.495 1.864 50 0 IDAARN O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccncc1 ZINC000009421976 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569568260 /nfs/dbraw/zinc/56/82/60/569568260.db2.gz LTMGXOHVWYBAMA-INIZCTEOSA-N 0 0 426.498 1.196 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000009799205 569568580 /nfs/dbraw/zinc/56/85/80/569568580.db2.gz DHXHQUDSNQTRSH-UHFFFAOYSA-N 0 0 432.502 1.565 50 0 IDAARN O=C(CNC(=O)c1ccco1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000009799252 569568627 /nfs/dbraw/zinc/56/86/27/569568627.db2.gz NWBWTPCNJVBPLJ-UHFFFAOYSA-N 0 0 441.875 1.558 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 ZINC000009806287 569568881 /nfs/dbraw/zinc/56/88/81/569568881.db2.gz UMGYQVAZGIDUSY-KRWDZBQOSA-N 0 0 433.505 1.720 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C)c2)cc1 ZINC000009806577 569568926 /nfs/dbraw/zinc/56/89/26/569568926.db2.gz PAVMVJOILHDTEM-QGZVFWFLSA-N 0 0 431.514 1.912 50 0 IDAARN CCOC(=O)C1CCN(C(=O)c2cn(C)c3c2[nH]c(=O)n(Cc2ccccc2)c3=O)CC1 ZINC000009821538 569569436 /nfs/dbraw/zinc/56/94/36/569569436.db2.gz ONTRQVFWLLBEDD-UHFFFAOYSA-N 0 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CCOC(=O)N1CCN(C(=O)Cn2nc(CC)n3c4cc(C)sc4cc3c2=O)CC1 ZINC000009848604 569571250 /nfs/dbraw/zinc/57/12/50/569571250.db2.gz PNXIFYSHKJTZED-UHFFFAOYSA-N 0 0 431.518 1.882 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)ccc1C ZINC000009853409 569571528 /nfs/dbraw/zinc/57/15/28/569571528.db2.gz AWZCDKJHYDHCAS-UHFFFAOYSA-N 0 0 431.580 1.179 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)c(OC)c1 ZINC000009857486 569571642 /nfs/dbraw/zinc/57/16/42/569571642.db2.gz MFZBRIUFUQPTGB-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000009873814 569572561 /nfs/dbraw/zinc/57/25/61/569572561.db2.gz DILVJMQWYXBPNT-QFIPXVFZSA-N 0 0 436.424 1.847 50 0 IDAARN Cc1ccc(NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009912474 569573257 /nfs/dbraw/zinc/57/32/57/569573257.db2.gz XURPEKXAPDCSQB-UHFFFAOYSA-N 0 0 447.513 1.484 50 0 IDAARN O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2)NCc1cccnc1 ZINC000071279615 569573523 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C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)NC(N)=O ZINC000010401745 132335795 /nfs/dbraw/zinc/33/57/95/132335795.db2.gz BHVFCYHWDHXDMK-ZDUSSCGKSA-N 0 0 431.470 1.568 50 0 IDAARN C[C@H](NC(=O)COc1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000010557325 132336252 /nfs/dbraw/zinc/33/62/52/132336252.db2.gz HLJMAHLIGVJHMB-OALUTQOASA-N 0 0 439.512 1.851 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O ZINC000010803061 132336507 /nfs/dbraw/zinc/33/65/07/132336507.db2.gz STCIDULBCFWLEJ-OAQYLSRUSA-N 0 0 442.497 1.511 50 0 IDAARN Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000011796636 132340205 /nfs/dbraw/zinc/34/02/05/132340205.db2.gz FBQAQEYBMODYPW-UHFFFAOYSA-N 0 0 445.541 1.996 50 0 IDAARN CCOC(=O)Cc1nn(CN2CCN(c3ncccn3)CC2)c(=S)n1Cc1ccco1 ZINC000013000286 132341541 /nfs/dbraw/zinc/34/15/41/132341541.db2.gz PYIJYCQOMQEVMK-UHFFFAOYSA-N 0 0 443.533 1.731 50 0 IDAARN COc1cc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)c(C)cc1C ZINC000013009246 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O=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)NC[C@H]1CCCO1 ZINC000014139816 132356380 /nfs/dbraw/zinc/35/63/80/132356380.db2.gz LHGGZLANKJFYSS-QGZVFWFLSA-N 0 0 431.924 1.303 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cn[nH]c(=O)c3Br)CC2)c1 ZINC000014187747 132356587 /nfs/dbraw/zinc/35/65/87/132356587.db2.gz LQHGIFQRVCSXQJ-UHFFFAOYSA-N 0 0 427.324 1.660 50 0 IDAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000014237595 132356907 /nfs/dbraw/zinc/35/69/07/132356907.db2.gz PVBKNBIQVOWWMZ-HXUWFJFHSA-N 0 0 448.479 1.497 50 0 IDAARN CC(=O)c1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 ZINC000035425635 518365208 /nfs/dbraw/zinc/36/52/08/518365208.db2.gz DJLMUHYDXJRCHH-UHFFFAOYSA-N 0 0 446.467 1.722 50 0 IDAARN CC(=O)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000023818236 518396220 /nfs/dbraw/zinc/39/62/20/518396220.db2.gz QHQQNJPIANYDRI-AOMKIAJQSA-N 0 0 426.425 1.825 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)cc1 ZINC000012868578 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438.506 1.480 50 0 IDAARN COCCN1C(=O)C[C@@](CC(=O)N2CCCC[C@@H]2COC)(c2cccc(OC)c2)C1=O ZINC000012039921 523797889 /nfs/dbraw/zinc/79/78/89/523797889.db2.gz DVNWOGFIVZWSKC-JPYJTQIMSA-N 0 0 432.517 1.756 50 0 IDAARN CN(C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000012553413 523802486 /nfs/dbraw/zinc/80/24/86/523802486.db2.gz HJKSFCBMYVOBJN-NSHDSACASA-N 0 0 429.292 1.081 50 0 IDAARN COCCN1C[C@H](C(=O)N2CC(=O)N(c3ccc(OC)cc3)C3(CCCC3)C2)CC1=O ZINC000012191412 523883919 /nfs/dbraw/zinc/88/39/19/523883919.db2.gz ZPHNCFHJQBFLPK-QGZVFWFLSA-N 0 0 429.517 1.678 50 0 IDAARN COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)C1 ZINC000015943402 523911977 /nfs/dbraw/zinc/91/19/77/523911977.db2.gz XBDLVJDWYHIRAI-DOTOQJQBSA-N 0 0 449.573 1.538 50 0 IDAARN COCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000021712740 523919357 /nfs/dbraw/zinc/91/93/57/523919357.db2.gz JVXPFHWOOHLWLH-LJQANCHMSA-N 0 0 449.504 1.994 50 0 IDAARN CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012630774 523936502 /nfs/dbraw/zinc/93/65/02/523936502.db2.gz XJTIXQLXFSHLBA-MRXNPFEDSA-N 0 0 426.491 1.886 50 0 IDAARN COC(=O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000012807920 523953073 /nfs/dbraw/zinc/95/30/73/523953073.db2.gz UXLQHXVWYBASAB-MRXNPFEDSA-N 0 0 440.518 1.269 50 0 IDAARN COc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1OC ZINC000015731645 523955039 /nfs/dbraw/zinc/95/50/39/523955039.db2.gz LPVNVRDLZAKNES-UHFFFAOYSA-N 0 0 446.525 1.745 50 0 IDAARN CCc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000015680244 523961620 /nfs/dbraw/zinc/96/16/20/523961620.db2.gz STVOSMJRYUSNRS-QFIPXVFZSA-N 0 0 429.542 1.932 50 0 IDAARN COc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000017117050 523962413 /nfs/dbraw/zinc/96/24/13/523962413.db2.gz AGXUTWZPRZCBHS-UHFFFAOYSA-N 0 0 433.530 1.962 50 0 IDAARN CN(C)C(=O)CN1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 ZINC000035307589 523987634 /nfs/dbraw/zinc/98/76/34/523987634.db2.gz OHFFKDFTPPWDRE-UHFFFAOYSA-N 0 0 428.562 1.469 50 0 IDAARN COC(=O)[C@](O)(COC(=O)c1cccc(Cl)c1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000012558706 524007121 /nfs/dbraw/zinc/00/71/21/524007121.db2.gz HALOWZHOEAFVJB-HZPDHXFCSA-N 0 0 436.770 1.585 50 0 IDAARN CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)c3cccs3)CC1)n2C ZINC000033121725 524026808 /nfs/dbraw/zinc/02/68/08/524026808.db2.gz BWKKAEBQJNQUFA-UHFFFAOYSA-N 0 0 447.586 1.843 50 0 IDAARN CN1N=C(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CCC1=O ZINC000015566025 524029423 /nfs/dbraw/zinc/02/94/23/524029423.db2.gz JXECLFFXURKPEP-UHFFFAOYSA-N 0 0 432.424 1.147 50 0 IDAARN CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CCC1=O ZINC000012779748 524029817 /nfs/dbraw/zinc/02/98/17/524029817.db2.gz WZCNBZQMEMQZSV-UHFFFAOYSA-N 0 0 432.424 1.147 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCOc2cccnc2)c(C)c1C ZINC000012303595 524033941 /nfs/dbraw/zinc/03/39/41/524033941.db2.gz OHFPMSJBLDYKGL-FQEVSTJZSA-N 0 0 426.517 1.593 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCSc2nccn2C)cc1OC ZINC000012433587 524034281 /nfs/dbraw/zinc/03/42/81/524034281.db2.gz GRVNXFABDAQIHL-INIZCTEOSA-N 0 0 447.561 1.036 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccccc2F)c(OC)c1 ZINC000012373150 524034622 /nfs/dbraw/zinc/03/46/22/524034622.db2.gz ILDBNEOIAQCNSD-FQEVSTJZSA-N 0 0 429.492 1.892 50 0 IDAARN COCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCc2ccccc2)cc1 ZINC000012137718 524042276 /nfs/dbraw/zinc/04/22/76/524042276.db2.gz QIYMGLRWOAYDDI-NRFANRHFSA-N 0 0 440.496 1.828 50 0 IDAARN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CN3CCOC3=O)C2)c(OC)c1 ZINC000012228416 524047975 /nfs/dbraw/zinc/04/79/75/524047975.db2.gz XRTNQFQKBRSBAZ-MRXNPFEDSA-N 0 0 433.505 1.791 50 0 IDAARN COc1ccc(CNC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)c(OC)c1 ZINC000021927314 524063192 /nfs/dbraw/zinc/06/31/92/524063192.db2.gz GTMRQHGQKFIUQM-HNNXBMFYSA-N 0 0 431.518 1.967 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)s1 ZINC000023141732 524075319 /nfs/dbraw/zinc/07/53/19/524075319.db2.gz PCYNFVKUKNIYNH-UHFFFAOYSA-N 0 0 425.967 1.921 50 0 IDAARN C[C@@H]1CCCCN1C(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000022916915 524088751 /nfs/dbraw/zinc/08/87/51/524088751.db2.gz VBEWWWCEQXBAIN-RTBURBONSA-N 0 0 441.576 1.769 50 0 IDAARN COc1cccc([C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2nccn2C)c1 ZINC000012628656 524099521 /nfs/dbraw/zinc/09/95/21/524099521.db2.gz PWVDLYYIDNURDH-QGZVFWFLSA-N 0 0 427.486 1.132 50 0 IDAARN C[C@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000012289090 524105889 /nfs/dbraw/zinc/10/58/89/524105889.db2.gz IJFOBQWRHHJLIO-DZGCQCFKSA-N 0 0 447.923 1.753 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3cnc4ccsc4c3=O)CC2)c1 ZINC000012748918 524188246 /nfs/dbraw/zinc/18/82/46/524188246.db2.gz ZLSOALLNSPYOCA-UHFFFAOYSA-N 0 0 446.554 1.608 50 0 IDAARN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 ZINC000022091059 524201653 /nfs/dbraw/zinc/20/16/53/524201653.db2.gz LFWYCBINDQGJBF-NRFANRHFSA-N 0 0 433.593 1.509 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1 ZINC000012444079 524229120 /nfs/dbraw/zinc/22/91/20/524229120.db2.gz CZVJKVNFBHAZBI-UHFFFAOYSA-N 0 0 437.865 1.555 50 0 IDAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000022783797 524263416 /nfs/dbraw/zinc/26/34/16/524263416.db2.gz MCGFVBXDIUREBC-INIZCTEOSA-N 0 0 428.537 1.203 50 0 IDAARN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012782626 524288413 /nfs/dbraw/zinc/28/84/13/524288413.db2.gz FSXMHAZCTAGXOK-AWEZNQCLSA-N 0 0 436.559 1.322 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000021528928 524389805 /nfs/dbraw/zinc/38/98/05/524389805.db2.gz FANLIFYWOWLNLH-OAQYLSRUSA-N 0 0 449.504 1.518 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000021529029 524390550 /nfs/dbraw/zinc/39/05/50/524390550.db2.gz GRQSHCXXPCZDSS-QFIPXVFZSA-N 0 0 445.541 1.687 50 0 IDAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCCc1ccccc1 ZINC000020744296 524405213 /nfs/dbraw/zinc/40/52/13/524405213.db2.gz SALCWSQABDQNMD-UHFFFAOYSA-N 0 0 431.514 1.923 50 0 IDAARN COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nn1 ZINC000012440267 524419780 /nfs/dbraw/zinc/41/97/80/524419780.db2.gz QNMZPGZNLKPOSQ-UHFFFAOYSA-N 0 0 431.518 1.232 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3CO)CC2=O)cc1 ZINC000012881852 524446309 /nfs/dbraw/zinc/44/63/09/524446309.db2.gz GTDKPPDIHTZNQJ-KPFFTGBYSA-N 0 0 431.533 1.562 50 0 biogenic IDAARN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614161 524458691 /nfs/dbraw/zinc/45/86/91/524458691.db2.gz IUFIWSRWNFMBGH-GOSISDBHSA-N 0 0 441.484 1.230 50 0 IDAARN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(N3CCOCC3)CCCC2)cc1 ZINC000012387120 524460508 /nfs/dbraw/zinc/46/05/08/524460508.db2.gz PRDGBWBJSGHWGW-NRFANRHFSA-N 0 0 428.577 1.447 50 0 IDAARN COc1ccccc1CNC(=O)Cn1c2cccnc2n(Cc2ccncc2)c(=O)c1=O ZINC000035450571 524467205 /nfs/dbraw/zinc/46/72/05/524467205.db2.gz OBAWHALZYMPZCG-UHFFFAOYSA-N 0 0 431.452 1.327 50 0 IDAARN Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc(C)n2)n1 ZINC000035597322 524476047 /nfs/dbraw/zinc/47/60/47/524476047.db2.gz XLOJZQSIKBITHY-UHFFFAOYSA-N 0 0 444.517 1.749 50 0 IDAARN COc1ccc(NC(=O)CCN2CCSC2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000012793222 524480914 /nfs/dbraw/zinc/48/09/14/524480914.db2.gz JQNDLYJDGLMHJE-UHFFFAOYSA-N 0 0 429.520 1.214 50 0 IDAARN Cc1cc(C)n(-c2ccc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)nn2)n1 ZINC000021562430 524491348 /nfs/dbraw/zinc/49/13/48/524491348.db2.gz VGRDCVWPQLZOEX-UHFFFAOYSA-N 0 0 426.506 1.209 50 0 IDAARN COc1ccc(NC(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)cc1 ZINC000021020349 524542477 /nfs/dbraw/zinc/54/24/77/524542477.db2.gz AVXZEQQQERIDDI-UHFFFAOYSA-N 0 0 437.500 1.958 50 0 IDAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)cc1 ZINC000020511240 524542591 /nfs/dbraw/zinc/54/25/91/524542591.db2.gz HICGQVUDEZIPNQ-LJQANCHMSA-N 0 0 437.562 1.407 50 0 IDAARN Cc1cccc(N2CCN(C(=O)CN3CCCN(CC(=O)NC(C)(C)C)CC3)CC2)c1C ZINC000022809121 524545975 /nfs/dbraw/zinc/54/59/75/524545975.db2.gz QMCZTANYYHSNJK-UHFFFAOYSA-N 0 0 443.636 1.874 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000021529145 524546505 /nfs/dbraw/zinc/54/65/05/524546505.db2.gz VLQUXJVOQDKOFR-JOCHJYFZSA-N 0 0 447.532 1.813 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(F)cc2)cc1 ZINC000021529077 524546567 /nfs/dbraw/zinc/54/65/67/524546567.db2.gz HTEKHURYGUWBCJ-OAQYLSRUSA-N 0 0 433.505 1.817 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2CCc2ccco2)cc1 ZINC000021529185 524546779 /nfs/dbraw/zinc/54/67/79/524546779.db2.gz XEMBYJWBBMNZRS-OAQYLSRUSA-N 0 0 433.530 1.309 50 0 IDAARN C[C@@H](CCn1cccn1)NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000012112397 524548335 /nfs/dbraw/zinc/54/83/35/524548335.db2.gz PDQLVRWYMJWBNH-KRWDZBQOSA-N 0 0 449.577 1.741 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)Cn3nc(C(=O)NCc4ccco4)cc3C(=O)N2C)cc1 ZINC000021877035 524554394 /nfs/dbraw/zinc/55/43/94/524554394.db2.gz LIXVITRSFXVENF-QHCPKHFHSA-N 0 0 435.484 1.875 50 0 IDAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)N3CCCCCC3)n2)CC1 ZINC000035375359 524563328 /nfs/dbraw/zinc/56/33/28/524563328.db2.gz PGHKGWSMGXKMPP-UHFFFAOYSA-N 0 0 425.533 1.981 50 0 IDAARN Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCN(Cc4ccccc4F)CC3)nc2n1 ZINC000022847246 524569044 /nfs/dbraw/zinc/56/90/44/524569044.db2.gz FIHWIEWORRQVRO-UHFFFAOYSA-N 0 0 426.452 1.381 50 0 IDAARN COc1ccccc1NC(=O)CNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000012660201 524595075 /nfs/dbraw/zinc/59/50/75/524595075.db2.gz BODVAWUTDKJLSN-FSNPWBFUSA-N 0 0 436.461 1.146 50 0 biogenic IDAARN Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)on1 ZINC000012438500 524655987 /nfs/dbraw/zinc/65/59/87/524655987.db2.gz RHULHTSFFORUPQ-UHFFFAOYSA-N 0 0 436.534 1.905 50 0 IDAARN Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCN(c4ccccn4)CC3)n2)c1 ZINC000035482033 524659702 /nfs/dbraw/zinc/65/97/02/524659702.db2.gz HLHMRULJLKQUKC-UHFFFAOYSA-N 0 0 446.511 1.938 50 0 IDAARN COc1ccccc1[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1nccn1C ZINC000012525175 524736627 /nfs/dbraw/zinc/73/66/27/524736627.db2.gz FFTICMKVAZRGGC-HXUWFJFHSA-N 0 0 433.468 1.728 50 0 IDAARN C[C@@H]1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000012622899 524784655 /nfs/dbraw/zinc/78/46/55/524784655.db2.gz LGILDKOVBIQHAN-DTORHVGOSA-N 0 0 425.290 1.433 50 0 IDAARN COc1ccc(OC)c(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)c1 ZINC000020611697 524794945 /nfs/dbraw/zinc/79/49/45/524794945.db2.gz CCYQHEZAHSACIC-HXUWFJFHSA-N 0 0 434.452 1.965 50 0 biogenic IDAARN COc1ccc(OC)c(-n2c(=O)[nH]c([O-])c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)c1 ZINC000020611695 524795404 /nfs/dbraw/zinc/79/54/04/524795404.db2.gz CCYQHEZAHSACIC-FQEVSTJZSA-N 0 0 434.452 1.965 50 0 biogenic IDAARN COc1ccc(OC)c(CN2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000012762739 524827388 /nfs/dbraw/zinc/82/73/88/524827388.db2.gz RNTLKTDFEKPZJS-UHFFFAOYSA-N 0 0 434.518 1.701 50 0 IDAARN COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000023107189 524845533 /nfs/dbraw/zinc/84/55/33/524845533.db2.gz KPPIMMZSMRVEBY-IBGZPJMESA-N 0 0 431.464 1.971 50 0 IDAARN COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CN2CCN(C(C)=O)CC2)cc1=O ZINC000022698512 524887761 /nfs/dbraw/zinc/88/77/61/524887761.db2.gz MARSHIFRJJLNQU-UHFFFAOYSA-N 0 0 426.517 1.777 50 0 IDAARN C[C@@H]1CN(C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000022433383 524891131 /nfs/dbraw/zinc/89/11/31/524891131.db2.gz WIRATMBBXXVZMW-HUUCEWRRSA-N 0 0 431.986 1.965 50 0 IDAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 ZINC000012819955 524949153 /nfs/dbraw/zinc/94/91/53/524949153.db2.gz OEPKLDBXGFRPCJ-PSLXWICFSA-N 0 0 437.452 1.865 50 0 IDAARN C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000024756768 524950363 /nfs/dbraw/zinc/95/03/63/524950363.db2.gz PGOSKEWYBNVETC-SWLSCSKDSA-N 0 0 444.351 1.054 50 0 IDAARN C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 ZINC000035379962 524953794 /nfs/dbraw/zinc/95/37/94/524953794.db2.gz RPWLZPVBEJNNCT-INIZCTEOSA-N 0 0 449.529 1.625 50 0 IDAARN C[C@@H]1CN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@@H](C)O1 ZINC000022612113 524955541 /nfs/dbraw/zinc/95/55/41/524955541.db2.gz NRMSLVFXSAZIOL-HUUCEWRRSA-N 0 0 428.510 1.903 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)N3CCc4ccccc4C3)CC2=O)cc1 ZINC000017041987 524984461 /nfs/dbraw/zinc/98/44/61/524984461.db2.gz ANNPQWBUOWFELV-HXUWFJFHSA-N 0 0 441.553 1.852 50 0 IDAARN C[C@H]1Cn2c3c(nc2N(C2CCCCC2)C1)n(C)c(=O)n(CCN1CCOCC1)c3=O ZINC000022286988 524999594 /nfs/dbraw/zinc/99/95/94/524999594.db2.gz NKIVMEQHTPGALB-MRXNPFEDSA-N 0 0 430.553 1.018 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1OC ZINC000035432475 525021458 /nfs/dbraw/zinc/02/14/58/525021458.db2.gz POPQJDGJENYNGX-UHFFFAOYSA-N 0 0 447.488 1.943 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000012849628 525035255 /nfs/dbraw/zinc/03/52/55/525035255.db2.gz HZCXVCSWUDMJHL-FQEVSTJZSA-N 0 0 447.513 1.410 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1 ZINC000012822072 525035424 /nfs/dbraw/zinc/03/54/24/525035424.db2.gz NLIWCCNJBKCZQK-UHFFFAOYSA-N 0 0 426.441 1.885 50 0 IDAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1N(C)C ZINC000035452134 525045164 /nfs/dbraw/zinc/04/51/64/525045164.db2.gz QKEATQPNCGPYGP-UHFFFAOYSA-N 0 0 446.529 1.960 50 0 IDAARN Cc1ccc(NC(=O)CN2CCN(C(=O)CSc3nnnn3C3CCCC3)CC2)cc1 ZINC000035336398 525051931 /nfs/dbraw/zinc/05/19/31/525051931.db2.gz GPCRUGUXLNXLEC-UHFFFAOYSA-N 0 0 443.577 1.972 50 0 IDAARN Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N(C)C ZINC000012562823 525053545 /nfs/dbraw/zinc/05/35/45/525053545.db2.gz ICPGMVLQDUFKIA-UHFFFAOYSA-N 0 0 434.518 1.235 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1F ZINC000022851223 525061003 /nfs/dbraw/zinc/06/10/03/525061003.db2.gz DWBJSQSWRSGAFE-KRWDZBQOSA-N 0 0 438.477 1.915 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1F ZINC000022851221 525064777 /nfs/dbraw/zinc/06/47/77/525064777.db2.gz DWBJSQSWRSGAFE-QGZVFWFLSA-N 0 0 438.477 1.915 50 0 IDAARN Cc1ccc(NC(=O)CSc2nnc(CCc3c(C)[nH]c(=O)n(C)c3=O)o2)cc1F ZINC000035597138 525084412 /nfs/dbraw/zinc/08/44/12/525084412.db2.gz OFYQEZAQWAJVFG-UHFFFAOYSA-N 0 0 433.465 1.729 50 0 IDAARN COc1ccc(S(=O)(=O)n2cc3c(n2)n(C(C)C)c(=O)n(C(C)C)c3=O)cc1OC ZINC000033038398 525093915 /nfs/dbraw/zinc/09/39/15/525093915.db2.gz FNXMCJYFTWOAIF-UHFFFAOYSA-N 0 0 436.490 1.776 50 0 IDAARN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000014796944 525129568 /nfs/dbraw/zinc/12/95/68/525129568.db2.gz LNRREMFZJQISCJ-MRXNPFEDSA-N 0 0 432.470 1.685 50 0 IDAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000021668522 525170348 /nfs/dbraw/zinc/17/03/48/525170348.db2.gz PQDDDUQSTJHZTK-KRWDZBQOSA-N 0 0 429.564 1.614 50 0 IDAARN C[C@]1(C(=O)NC2CCCC2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccc(Cl)cc1 ZINC000021869675 525196990 /nfs/dbraw/zinc/19/69/90/525196990.db2.gz BXMKMRTWWSCMPJ-LJQANCHMSA-N 0 0 427.954 1.761 50 0 IDAARN C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1CCCc1ccccc1 ZINC000021528779 525211922 /nfs/dbraw/zinc/21/19/22/525211922.db2.gz JTVGSFPULACTGR-HSZRJFAPSA-N 0 0 443.569 1.798 50 0 IDAARN Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021528978 525221136 /nfs/dbraw/zinc/22/11/36/525221136.db2.gz ROFGUZZCLQJBMM-NRFANRHFSA-N 0 0 433.505 1.817 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)C1=O ZINC000012602862 525331670 /nfs/dbraw/zinc/33/16/70/525331670.db2.gz KCRIZVUEXFJIDF-XMMPIXPASA-N 0 0 447.495 1.960 50 0 IDAARN COc1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCOCC2)cc1 ZINC000023107508 525354315 /nfs/dbraw/zinc/35/43/15/525354315.db2.gz WPQUIVZSLCURAT-FQEVSTJZSA-N 0 0 427.501 1.510 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CCc2ccccc2C1 ZINC000013567092 525397668 /nfs/dbraw/zinc/39/76/68/525397668.db2.gz UEKNCLHTELSKNC-UHFFFAOYSA-N 0 0 430.526 1.980 50 0 IDAARN Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012784110 525409326 /nfs/dbraw/zinc/40/93/26/525409326.db2.gz IGXXVUOUYOJWCQ-HNNXBMFYSA-N 0 0 432.546 1.711 50 0 IDAARN Cc1nc(SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)[nH]c1Cc1ccccc1 ZINC000012551206 525413652 /nfs/dbraw/zinc/41/36/52/525413652.db2.gz PQVFTJVWUUXTNA-UHFFFAOYSA-N 0 0 427.574 1.824 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)NC1CCCC1 ZINC000033129102 525508925 /nfs/dbraw/zinc/50/89/25/525508925.db2.gz KUEJEOXFYZQVFH-HNNXBMFYSA-N 0 0 434.562 1.991 50 0 IDAARN C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O ZINC000023316131 525517340 /nfs/dbraw/zinc/51/73/40/525517340.db2.gz IUFPWMTVGCNBDB-WBVHZDCISA-N 0 0 435.546 1.108 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1 ZINC000012776733 525523637 /nfs/dbraw/zinc/52/36/37/525523637.db2.gz 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Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc3c(c1)OCO3)O[C@@H](C)C(=O)N2 ZINC000035452777 525611498 /nfs/dbraw/zinc/61/14/98/525611498.db2.gz PLPMLDRLFCYNGA-LBPRGKRZSA-N 0 0 447.469 1.702 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc3ccco3)C1)OCC(=O)N2 ZINC000035378781 525614309 /nfs/dbraw/zinc/61/43/09/525614309.db2.gz KGTLNSDSWRQCLY-CQSZACIVSA-N 0 0 433.486 1.636 50 0 IDAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012905298 525617257 /nfs/dbraw/zinc/61/72/57/525617257.db2.gz HYUCDGDQAOIPMG-YWZLYKJASA-N 0 0 432.498 1.552 50 0 IDAARN Cc1c(C)n(-c2ccccc2F)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000022406133 525681392 /nfs/dbraw/zinc/68/13/92/525681392.db2.gz ZUMLEFGCRNXSGG-UHFFFAOYSA-N 0 0 440.479 1.227 50 0 IDAARN Cc1ccnc(SCCn2c(N3C[C@H](C)C[C@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000018205288 525707817 /nfs/dbraw/zinc/70/78/17/525707817.db2.gz JDZMJVUQIWGCKI-OKILXGFUSA-N 0 0 443.577 1.807 50 0 IDAARN COc1cccc(-n2cnnc2SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000012593451 525752950 /nfs/dbraw/zinc/75/29/50/525752950.db2.gz FBZFMYUTEQAKLT-UHFFFAOYSA-N 0 0 444.561 1.135 50 0 IDAARN Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(CCN2CCOCC2)c(=O)n1C ZINC000020533360 525758976 /nfs/dbraw/zinc/75/89/76/525758976.db2.gz QZOZGHNOORGAAE-UHFFFAOYSA-N 0 0 444.923 1.342 50 0 IDAARN C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020533395 525848789 /nfs/dbraw/zinc/84/87/89/525848789.db2.gz WOVDBFKGXHXRMP-CFXBOMGRSA-N 0 0 443.862 1.781 50 0 IDAARN C[C@@]1(NC(=O)CCCNC(=O)N2CCc3c4ccccc4[nH]c3C2)CCS(=O)(=O)C1 ZINC000012391239 525865524 /nfs/dbraw/zinc/86/55/24/525865524.db2.gz YHPNEVINJSSDSZ-OAQYLSRUSA-N 0 0 432.546 1.709 50 0 IDAARN C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012904332 525883842 /nfs/dbraw/zinc/88/38/42/525883842.db2.gz VRTBZIJWNJPWDW-OAHLLOKOSA-N 0 0 431.489 1.465 50 0 IDAARN C[C@@H](OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC(C)(C)C ZINC000036757988 525886067 /nfs/dbraw/zinc/88/60/67/525886067.db2.gz JJBPNGLWEKPSKU-CYBMUJFWSA-N 0 0 428.507 1.363 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O ZINC000012554131 525893178 /nfs/dbraw/zinc/89/31/78/525893178.db2.gz LQQYWKXDYKBQCQ-NRFANRHFSA-N 0 0 433.428 1.893 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)C1=O ZINC000012602858 525902900 /nfs/dbraw/zinc/90/29/00/525902900.db2.gz KCRIZVUEXFJIDF-DEOSSOPVSA-N 0 0 447.495 1.960 50 0 IDAARN Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=N)NCCC[C@@H]([NH3+])C(=O)[O-])OC(C)(C)C2 ZINC000021991929 525932632 /nfs/dbraw/zinc/93/26/32/525932632.db2.gz GVIXTVCDNCXXSH-CQSZACIVSA-N 0 0 426.539 1.320 50 0 IDAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCCCN1CCOCC1)nc2C ZINC000020563230 525936912 /nfs/dbraw/zinc/93/69/12/525936912.db2.gz VUPLVJSVGAMJQZ-SFHVURJKSA-N 0 0 438.532 1.599 50 0 IDAARN COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(CCO)Cc2ccccc2)c1OC ZINC000012587908 525947549 /nfs/dbraw/zinc/94/75/49/525947549.db2.gz 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COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C(=O)CC2CC2)CC3)c1 ZINC000012212726 526003197 /nfs/dbraw/zinc/00/31/97/526003197.db2.gz AQHUYVVHXAPDBJ-UHFFFAOYSA-N 0 0 439.512 1.980 50 0 IDAARN CSc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 ZINC000014748581 526033981 /nfs/dbraw/zinc/03/39/81/526033981.db2.gz DQWLADRQXXEMNE-SNRMKQJTSA-N 0 0 440.525 1.946 50 0 IDAARN COc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCCCC2)c1 ZINC000021528371 526137736 /nfs/dbraw/zinc/13/77/36/526137736.db2.gz JDNVKINTFURXPS-OAQYLSRUSA-N 0 0 437.562 1.901 50 0 IDAARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012599237 526150063 /nfs/dbraw/zinc/15/00/63/526150063.db2.gz MQAONDYLTZKIMR-VFNWGFHPSA-N 0 0 439.468 1.727 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)[C@@H]3COc4ccccc4O3)CC2=O)c1 ZINC000020745914 526161862 /nfs/dbraw/zinc/16/18/62/526161862.db2.gz XKEJPCJLZAMDMI-YWZLYKJASA-N 0 0 439.468 1.121 50 0 IDAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1 ZINC000035452461 526172915 /nfs/dbraw/zinc/17/29/15/526172915.db2.gz LZHDFKAPBRXKAZ-ZDUSSCGKSA-N 0 0 433.486 1.982 50 0 IDAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)c1 ZINC000020484253 526172932 /nfs/dbraw/zinc/17/29/32/526172932.db2.gz NIWGIFZDAPNKKN-UHFFFAOYSA-N 0 0 429.296 1.694 50 0 IDAARN Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 ZINC000012910470 526176066 /nfs/dbraw/zinc/17/60/66/526176066.db2.gz SKCDRLPIWWXVNJ-QGZVFWFLSA-N 0 0 432.498 1.586 50 0 IDAARN Cc1ccc(C(=O)N[C@H](C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 ZINC000012751210 526208116 /nfs/dbraw/zinc/20/81/16/526208116.db2.gz PKFOFVFWSVYDIE-NXHRZFHOSA-N 0 0 438.546 1.327 50 0 IDAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035413775 526217750 /nfs/dbraw/zinc/21/77/50/526217750.db2.gz RHDDNCKIPBNYPD-OAHLLOKOSA-N 0 0 448.570 1.818 50 0 IDAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc(CCNS(C)(=O)=O)s1)C2=O 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527217605 /nfs/dbraw/zinc/21/76/05/527217605.db2.gz LQHJBYYLRHGOJB-UHFFFAOYSA-N 0 0 432.936 1.602 50 0 IDAARN O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000021149417 527276358 /nfs/dbraw/zinc/27/63/58/527276358.db2.gz MBYGTRNSLCVWGA-UHFFFAOYSA-N 0 0 436.900 1.961 50 0 IDAARN O=S(=O)(c1cccc(-c2nnc(Sc3ccc4nnnn4n3)o2)c1)N1CCCCC1 ZINC000022202696 527282921 /nfs/dbraw/zinc/28/29/21/527282921.db2.gz KXNDPUIQDDGUMQ-UHFFFAOYSA-N 0 0 444.502 1.895 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1C(N)=O ZINC000012926235 527284349 /nfs/dbraw/zinc/28/43/49/527284349.db2.gz BMYRDOPNYPHEKB-UHFFFAOYSA-N 0 0 445.328 1.578 50 0 IDAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 ZINC000012391488 527285560 /nfs/dbraw/zinc/28/55/60/527285560.db2.gz DPRCUELSPVYLGH-ZDUSSCGKSA-N 0 0 425.445 1.596 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000012569193 527311923 /nfs/dbraw/zinc/31/19/23/527311923.db2.gz XQWRUOVNGGEBKF-UHFFFAOYSA-N 0 0 448.482 1.521 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)COC(=O)CCc2ccc3ccccc3n2)cc1 ZINC000021432281 527312649 /nfs/dbraw/zinc/31/26/49/527312649.db2.gz GDFWZAIQCLWXBA-UHFFFAOYSA-N 0 0 427.482 1.674 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 ZINC000020728755 527313379 /nfs/dbraw/zinc/31/33/79/527313379.db2.gz GFSLCEVUFWEGLX-UHFFFAOYSA-N 0 0 437.279 1.002 50 0 IDAARN Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NCCCc1ccccc1 ZINC000021713915 527332656 /nfs/dbraw/zinc/33/26/56/527332656.db2.gz SXTGOMWYBQUZMN-UHFFFAOYSA-N 0 0 449.486 1.833 50 0 IDAARN O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(Br)c1 ZINC000015767627 527397758 /nfs/dbraw/zinc/39/77/58/527397758.db2.gz MOVBHNCGNKPSOO-UHFFFAOYSA-N 0 0 429.296 1.305 50 0 IDAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000012689142 527416598 /nfs/dbraw/zinc/41/65/98/527416598.db2.gz SDOBLHGOQLJXDY-UHFFFAOYSA-N 0 0 441.469 1.211 50 0 IDAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)N1CCSCC1 ZINC000044891836 527417139 /nfs/dbraw/zinc/41/71/39/527417139.db2.gz OHSJYCYIBDXJMJ-UHFFFAOYSA-N 0 0 433.965 1.799 50 0 IDAARN O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000012539509 527426249 /nfs/dbraw/zinc/42/62/49/527426249.db2.gz YMLXKCGGHBFEJA-UHFFFAOYSA-N 0 0 449.511 1.708 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)c1=O)NC1CC1 ZINC000077100224 527433178 /nfs/dbraw/zinc/43/31/78/527433178.db2.gz REPKZNSOUFCJHS-UHFFFAOYSA-N 0 0 446.389 1.979 50 0 IDAARN O=c1oc2ccccc2n1C[C@@H]1CCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000020890623 527500743 /nfs/dbraw/zinc/50/07/43/527500743.db2.gz LLBGXWOZKXDKEW-HNNXBMFYSA-N 0 0 426.458 1.424 50 0 IDAARN O=C(NC1CCCC1)c1ccccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012753824 527511064 /nfs/dbraw/zinc/51/10/64/527511064.db2.gz JCYSSAZPROHCAW-OAHLLOKOSA-N 0 0 446.529 1.463 50 0 IDAARN Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000035510750 527532432 /nfs/dbraw/zinc/53/24/32/527532432.db2.gz HEUFLFFPPKUIHL-UHFFFAOYSA-N 0 0 445.531 1.912 50 0 IDAARN Cn1nc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2ccccc2c1=O ZINC000012781396 527541892 /nfs/dbraw/zinc/54/18/92/527541892.db2.gz RNAHGOMYZIQJLZ-LJQANCHMSA-N 0 0 434.452 1.058 50 0 IDAARN Nc1nc(COC(=O)CNS(=O)(=O)c2ccc(F)c(F)c2F)nc2ccccc12 ZINC000012544031 527552130 /nfs/dbraw/zinc/55/21/30/527552130.db2.gz LNFMAYWEIJODFN-UHFFFAOYSA-N 0 0 426.376 1.651 50 0 IDAARN Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCCCN1CCCC1=O)C(=O)CS2 ZINC000020992084 527554046 /nfs/dbraw/zinc/55/40/46/527554046.db2.gz MSSPEEHACUBSGT-UHFFFAOYSA-N 0 0 427.530 1.748 50 0 IDAARN Nc1n[nH]c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000012925562 527557956 /nfs/dbraw/zinc/55/79/56/527557956.db2.gz OEAOEUBVSQPPPJ-UHFFFAOYSA-N 0 0 430.943 1.946 50 0 IDAARN Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)NCCCc1ccccc1 ZINC000020487479 527563831 /nfs/dbraw/zinc/56/38/31/527563831.db2.gz WNAQMVLAENZEQK-UHFFFAOYSA-N 0 0 441.351 1.844 50 0 IDAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614075 527622390 /nfs/dbraw/zinc/62/23/90/527622390.db2.gz FSYPCRSXRDVCDP-IBGZPJMESA-N 0 0 429.517 1.912 50 0 IDAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614073 527623320 /nfs/dbraw/zinc/62/33/20/527623320.db2.gz FSYPCRSXRDVCDP-LJQANCHMSA-N 0 0 429.517 1.912 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1cc(C)cc(C)c1 ZINC000021882044 527654167 /nfs/dbraw/zinc/65/41/67/527654167.db2.gz FKHOPKZBZWUJLE-UHFFFAOYSA-N 0 0 433.578 1.623 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000005638145 535136300 /nfs/dbraw/zinc/13/63/00/535136300.db2.gz DOGGHSLPRUZNJT-UHFFFAOYSA-N 0 0 429.521 1.351 50 0 IDAARN CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@H](C)c2ccccc2)c1=O ZINC000003360628 535137235 /nfs/dbraw/zinc/13/72/35/535137235.db2.gz SNAHMRNJWXSVQY-MRXNPFEDSA-N 0 0 429.521 1.106 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1 ZINC000013848533 535391048 /nfs/dbraw/zinc/39/10/48/535391048.db2.gz MVXIVUFZQLBQIF-UHFFFAOYSA-N 0 0 428.518 1.911 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCNC(C)=O)c1 ZINC000006026355 535633956 /nfs/dbraw/zinc/63/39/56/535633956.db2.gz KFWRJELSSBRDAT-UHFFFAOYSA-N 0 0 426.539 1.018 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)CS2 ZINC000008673297 536115192 /nfs/dbraw/zinc/11/51/92/536115192.db2.gz NISQIVGGPACAKO-UHFFFAOYSA-N 0 0 437.518 1.831 50 0 IDAARN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccccn4)CC3)ccc21 ZINC000009300540 536320283 /nfs/dbraw/zinc/32/02/83/536320283.db2.gz BREGKLTYWTVMID-UHFFFAOYSA-N 0 0 428.514 1.113 50 0 IDAARN COc1ccccc1N1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000001462425 537063928 /nfs/dbraw/zinc/06/39/28/537063928.db2.gz UWLKMYGMJGFIAW-UHFFFAOYSA-N 0 0 429.498 1.579 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c2c(nc1N1CCCCC1)n(C)c(=O)n(C)c2=O ZINC000000625647 555512406 /nfs/dbraw/zinc/51/24/06/555512406.db2.gz RFUWDJPCBUWILS-INIZCTEOSA-N 0 0 427.505 1.172 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 ZINC000000660622 555526374 /nfs/dbraw/zinc/52/63/74/555526374.db2.gz XRMYLNIGWHYJML-HNNXBMFYSA-N 0 0 427.523 1.541 50 0 IDAARN NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 ZINC000000714793 555548293 /nfs/dbraw/zinc/54/82/93/555548293.db2.gz RCARZGFGKPXDJZ-ZDUSSCGKSA-N 0 0 427.242 1.120 50 0 IDAARN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000000783907 555555635 /nfs/dbraw/zinc/55/56/35/555555635.db2.gz KMGNBHXLKZZTKE-UHFFFAOYSA-N 0 0 439.534 1.397 50 0 IDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000810340 555560647 /nfs/dbraw/zinc/56/06/47/555560647.db2.gz NVTIIEDNXCIXRE-UHFFFAOYSA-N 0 0 449.510 1.254 50 0 IDAARN CCc1ccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000824790 555564815 /nfs/dbraw/zinc/56/48/15/555564815.db2.gz SGPBVBMUXWAJRA-QGZVFWFLSA-N 0 0 441.532 1.806 50 0 IDAARN CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000000824780 555564834 /nfs/dbraw/zinc/56/48/34/555564834.db2.gz RTTGXAQBAYCWGI-JTQLQIEISA-N 0 0 428.276 1.236 50 0 biogenic IDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)COc2cccc(Cl)c2)cc1 ZINC000009445272 555571657 /nfs/dbraw/zinc/57/16/57/555571657.db2.gz ROVVXALWHKHMMD-UHFFFAOYSA-N 0 0 426.878 1.268 50 0 IDAARN COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000000900014 555580914 /nfs/dbraw/zinc/58/09/14/555580914.db2.gz BJMMOPPVWRUKLE-UHFFFAOYSA-N 0 0 447.513 1.566 50 0 IDAARN COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1OC ZINC000009424447 555585006 /nfs/dbraw/zinc/58/50/06/555585006.db2.gz RFVRVAPRXUABPU-WQRHYEAKSA-N 0 0 425.441 1.806 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1C(=S)Nc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000001079149 555625587 /nfs/dbraw/zinc/62/55/87/555625587.db2.gz BXQVEPADPAZKIN-MRXNPFEDSA-N 0 0 426.498 1.984 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000001095632 555627866 /nfs/dbraw/zinc/62/78/66/555627866.db2.gz DQIYGDCLQGKCPR-UHFFFAOYSA-N 0 0 447.513 1.427 50 0 IDAARN NC(=O)C1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000001100109 555628685 /nfs/dbraw/zinc/62/86/85/555628685.db2.gz WBFFOJJWQBFMJW-UHFFFAOYSA-N 0 0 433.505 1.741 50 0 IDAARN COc1ccc(N2C(=O)[C@H](CC(N)=O)N(NC(=O)c3cccc(OC)c3)C2=S)cc1 ZINC000001109139 555630456 /nfs/dbraw/zinc/63/04/56/555630456.db2.gz NRJSABLKSMYZMF-INIZCTEOSA-N 0 0 428.470 1.226 50 0 IDAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1 ZINC000001116998 555634854 /nfs/dbraw/zinc/63/48/54/555634854.db2.gz APJABCZPNQLZLM-UHFFFAOYSA-N 0 0 431.923 1.388 50 0 IDAARN COc1ccccc1N(C[C@@H](O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccccc1 ZINC000001212999 555682749 /nfs/dbraw/zinc/68/27/49/555682749.db2.gz DYXCDYJNUAKKIV-HNNXBMFYSA-N 0 0 447.513 1.582 50 0 IDAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000010022220 555691174 /nfs/dbraw/zinc/69/11/74/555691174.db2.gz KVHYORAFAOUPAF-JLHYYAGUSA-N 0 0 428.466 1.725 50 0 IDAARN Cn1c(COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc(=O)n(C)c1=O ZINC000010539007 555695621 /nfs/dbraw/zinc/69/56/21/555695621.db2.gz FHLKWHRWXMETSF-UHFFFAOYSA-N 0 0 432.436 1.199 50 0 IDAARN COc1cc(OC)nc(NC(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccccc2)n1 ZINC000010538932 555695689 /nfs/dbraw/zinc/69/56/89/555695689.db2.gz ISDROJIPKPRMQZ-AWEZNQCLSA-N 0 0 448.501 1.527 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccncc1 ZINC000001853540 555720884 /nfs/dbraw/zinc/72/08/84/555720884.db2.gz XWHTZVOXEHMPJI-GOSISDBHSA-N 0 0 431.330 1.061 50 0 IDAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(N)(=O)=O)cc1)C(F)(F)F ZINC000002187942 555755796 /nfs/dbraw/zinc/75/57/96/555755796.db2.gz BGDLNVQUWRDGCM-QGZVFWFLSA-N 0 0 445.419 1.998 50 0 IDAARN CN1CCN(c2nc(N3CCOCC3)nc3c2CN(C(=O)c2cccs2)CC3)CC1 ZINC000034676970 555795061 /nfs/dbraw/zinc/79/50/61/555795061.db2.gz WWKUCLKZXVRZDY-UHFFFAOYSA-N 0 0 428.562 1.325 50 0 IDAARN CC(C)COC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677362 555795728 /nfs/dbraw/zinc/79/57/28/555795728.db2.gz IXVWJMUWHZRHPG-HXUWFJFHSA-N 0 0 448.539 1.895 50 0 IDAARN CC(C)OC[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3F)co2)CC1 ZINC000034677578 555796130 /nfs/dbraw/zinc/79/61/30/555796130.db2.gz OGABZIKRSZYTCG-GOSISDBHSA-N 0 0 434.512 1.647 50 0 IDAARN C[C@@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(=O)NCc1cccnc1 ZINC000034678933 555798444 /nfs/dbraw/zinc/79/84/44/555798444.db2.gz UMJBJYNVKYLLJO-QGZVFWFLSA-N 0 0 446.511 1.759 50 0 IDAARN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(C[C@@H]1CCCO1)c(=O)n2-c1ccc(F)cc1 ZINC000034693679 555808198 /nfs/dbraw/zinc/80/81/98/555808198.db2.gz SVHATJAOVSMHMA-CJNGLKHVSA-N 0 0 430.436 1.791 50 0 IDAARN COc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1 ZINC000002857333 555842355 /nfs/dbraw/zinc/84/23/55/555842355.db2.gz YBQVRRQPRFRZRI-UHFFFAOYSA-N 0 0 447.513 1.572 50 0 IDAARN COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)NCc2ccco2)C3)c1OC ZINC000034792703 555916630 /nfs/dbraw/zinc/91/66/30/555916630.db2.gz XNTXGIVEKDRIDG-LJQANCHMSA-N 0 0 440.456 1.406 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3[C@H](C)COC[C@@H]3C)C2)cc1 ZINC000034897536 555927922 /nfs/dbraw/zinc/92/79/22/555927922.db2.gz NJSGWSPPWVWJHU-OWCLPIDISA-N 0 0 439.534 1.901 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1F)c1ccncc1 ZINC000003641206 555943298 /nfs/dbraw/zinc/94/32/98/555943298.db2.gz DBWVYOSUWLNSEB-GOSISDBHSA-N 0 0 449.320 1.200 50 0 IDAARN CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1 ZINC000006088628 556075627 /nfs/dbraw/zinc/07/56/27/556075627.db2.gz XEHQWOMGRRNVGP-MDZDMXLPSA-N 0 0 436.446 1.352 50 0 IDAARN CCn1ncc(Cl)c1CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002732854 556134891 /nfs/dbraw/zinc/13/48/91/556134891.db2.gz KAHYOQLOIOWZME-AWEZNQCLSA-N 0 0 442.973 1.658 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccn(CC)n3)c(=O)n2[C@@H]1c1ccc(O)cc1 ZINC000002787271 556138857 /nfs/dbraw/zinc/13/88/57/556138857.db2.gz QSOOFDGYWQWEQO-XYSGSMRZSA-N 0 0 438.509 1.720 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCC(C)C)c(C)c1 ZINC000003017112 556158537 /nfs/dbraw/zinc/15/85/37/556158537.db2.gz RLKQHMPZVDORCD-GOSISDBHSA-N 0 0 439.578 1.627 50 0 IDAARN CCOC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000008433059 556172388 /nfs/dbraw/zinc/17/23/88/556172388.db2.gz FLXDKBNUHWAQLZ-PBFPGSCMSA-N 0 0 436.383 1.839 50 0 IDAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000008745726 556209004 /nfs/dbraw/zinc/20/90/04/556209004.db2.gz OFHPEGSWLXHZSF-UHFFFAOYSA-N 0 0 443.481 1.949 50 0 IDAARN CCOC(=O)C1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)CC1 ZINC000008775061 556213916 /nfs/dbraw/zinc/21/39/16/556213916.db2.gz RGJMJVCGHKMJFZ-UHFFFAOYSA-N 0 0 439.516 1.570 50 0 IDAARN CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000008828780 556224872 /nfs/dbraw/zinc/22/48/72/556224872.db2.gz DYKJERXKDLJEJY-GOSISDBHSA-N 0 0 438.527 1.314 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@@]12c1ccccc1NC2=O ZINC000009186326 556250522 /nfs/dbraw/zinc/25/05/22/556250522.db2.gz FMIKCAYZNIHZTF-QHCPKHFHSA-N 0 0 433.420 1.772 50 0 IDAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009245433 556267110 /nfs/dbraw/zinc/26/71/10/556267110.db2.gz NFSCCALCOCGJOR-QGZVFWFLSA-N 0 0 433.555 1.630 50 0 IDAARN COCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000009288622 556273131 /nfs/dbraw/zinc/27/31/31/556273131.db2.gz FBECKCDZEBGCPS-MRXNPFEDSA-N 0 0 431.514 1.993 50 0 IDAARN O=C(COc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000013689461 556278693 /nfs/dbraw/zinc/27/86/93/556278693.db2.gz RFLOASPBGGCEGC-HXUWFJFHSA-N 0 0 426.425 1.305 50 0 IDAARN Cn1c2nc(Br)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000009369228 556286166 /nfs/dbraw/zinc/28/61/66/556286166.db2.gz VGNZZMASBZSENT-SECBINFHSA-N 0 0 429.658 1.279 50 0 IDAARN CCOc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000013723071 556291197 /nfs/dbraw/zinc/29/11/97/556291197.db2.gz YGOHHSGDKRSELA-CYBMUJFWSA-N 0 0 439.515 1.271 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2CC(=O)N(C)C2=O)c(OCC(=O)c2ccccc2)c1 ZINC000013727915 556293804 /nfs/dbraw/zinc/29/38/04/556293804.db2.gz LCUITXSOSYAJTR-UHFFFAOYSA-N 0 0 431.470 1.597 50 0 IDAARN COc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000009525822 556296070 /nfs/dbraw/zinc/29/60/70/556296070.db2.gz PRHVYQSNCCXKBP-UHFFFAOYSA-N 0 0 434.470 1.999 50 0 IDAARN COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)c1 ZINC000009591489 556301484 /nfs/dbraw/zinc/30/14/84/556301484.db2.gz BFQUODFJWVDTJK-INIZCTEOSA-N 0 0 426.425 1.623 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H]2C[C@@H](C)OC2=O)CC1 ZINC000032736527 556306612 /nfs/dbraw/zinc/30/66/12/556306612.db2.gz HJVPDWGWJKGTJQ-DOMZBBRYSA-N 0 0 425.459 1.121 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCSc1ccc(C(=O)N3CCCC3)cn1)c(=O)n2C ZINC000032752768 556313433 /nfs/dbraw/zinc/31/34/33/556313433.db2.gz RXHAALKBKOOWFU-UHFFFAOYSA-N 0 0 428.518 1.247 50 0 IDAARN COC(=O)c1cc(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc(C(=O)OC)c1 ZINC000009846582 556313513 /nfs/dbraw/zinc/31/35/13/556313513.db2.gz UHJBLJWNUMOYSH-MRXNPFEDSA-N 0 0 435.502 1.280 50 0 IDAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CCS(=O)(=O)CCC(N)=O ZINC000032751551 556313495 /nfs/dbraw/zinc/31/34/95/556313495.db2.gz KLTWHNQTPAFJSV-UHFFFAOYSA-N 0 0 426.970 1.924 50 0 IDAARN Cc1c(C)n(C2CCCCC2)c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n12 ZINC000013816415 556314400 /nfs/dbraw/zinc/31/44/00/556314400.db2.gz FHSKJPWPGOAKIM-UHFFFAOYSA-N 0 0 428.537 1.604 50 0 IDAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1 ZINC000032745236 556314791 /nfs/dbraw/zinc/31/47/91/556314791.db2.gz WALVWSDQUGYKIE-UHFFFAOYSA-N 0 0 429.454 1.226 50 0 IDAARN COc1ccc(NC(=O)CSc2nnc(-c3nonc3NC(C)=O)n2C)c(OC)c1 ZINC000009877998 556315051 /nfs/dbraw/zinc/31/50/51/556315051.db2.gz PRSISGFGYISFEI-UHFFFAOYSA-N 0 0 433.450 1.572 50 0 IDAARN NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000032759986 556320165 /nfs/dbraw/zinc/32/01/65/556320165.db2.gz VSLAFGBPKMPGKF-GOSISDBHSA-N 0 0 448.483 1.964 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)CC2)C1 ZINC000032755069 556324373 /nfs/dbraw/zinc/32/43/73/556324373.db2.gz YCWMXDIQBLHMGS-TVFCKZIOSA-N 0 0 436.644 1.049 50 0 IDAARN CCCNC(=O)CN1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000022921121 556340661 /nfs/dbraw/zinc/34/06/61/556340661.db2.gz LXRQFUPFAJZPIB-JOCHJYFZSA-N 0 0 444.601 1.850 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000011662586 556344020 /nfs/dbraw/zinc/34/40/20/556344020.db2.gz OYOSDVFHNMILNT-OAHLLOKOSA-N 0 0 434.518 1.596 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@@H]1c1cccs1 ZINC000013960147 556347300 /nfs/dbraw/zinc/34/73/00/556347300.db2.gz TYSSGPLQBILRDR-NQUDRAQSSA-N 0 0 428.539 1.902 50 0 IDAARN CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cn(CC)nc3C)CC2)cc1 ZINC000013960379 556347660 /nfs/dbraw/zinc/34/76/60/556347660.db2.gz KFZXFTRRYSMUHK-UHFFFAOYSA-N 0 0 435.550 1.555 50 0 IDAARN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1c(C)nn(CC)c1C ZINC000011765282 556349561 /nfs/dbraw/zinc/34/95/61/556349561.db2.gz UCGCSSLIUWFWKO-FQEVSTJZSA-N 0 0 427.549 1.925 50 0 IDAARN O=C(Cn1ncc(=O)c2ccccc21)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000032788192 556350338 /nfs/dbraw/zinc/35/03/38/556350338.db2.gz ZIBOWBLPGMNLGQ-NRFANRHFSA-N 0 0 434.452 1.050 50 0 IDAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014014816 556355546 /nfs/dbraw/zinc/35/55/46/556355546.db2.gz GPHJKPMMUKOSSA-UHFFFAOYSA-N 0 0 431.470 1.568 50 0 IDAARN COC(=O)[C@@H]1CCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011790380 556355646 /nfs/dbraw/zinc/35/56/46/556355646.db2.gz RETILACFMJXULU-YADARESESA-N 0 0 435.480 1.833 50 0 IDAARN Cc1csc(CC(=O)N2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)n1 ZINC000014022992 556357023 /nfs/dbraw/zinc/35/70/23/556357023.db2.gz DBTAUDRRODSSLT-UHFFFAOYSA-N 0 0 447.561 1.310 50 0 IDAARN Cc1cc(N2C[C@@H](C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2=O)ccc1Br ZINC000032795616 556357840 /nfs/dbraw/zinc/35/78/40/556357840.db2.gz USQHIZKRTOKWHG-JSGCOSHPSA-N 0 0 429.336 1.756 50 0 IDAARN Cc1cc(N2C[C@H](C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2=O)ccc1Br ZINC000032795618 556357858 /nfs/dbraw/zinc/35/78/58/556357858.db2.gz USQHIZKRTOKWHG-OCCSQVGLSA-N 0 0 429.336 1.756 50 0 IDAARN Cc1cc(C)n2nc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2n1 ZINC000014068522 556360030 /nfs/dbraw/zinc/36/00/30/556360030.db2.gz CWTPZBJATIQALM-UHFFFAOYSA-N 0 0 432.481 1.417 50 0 IDAARN O=C(CN1CSCC1=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000014069662 556360357 /nfs/dbraw/zinc/36/03/57/556360357.db2.gz ZYJBWWIUCGYOJP-UHFFFAOYSA-N 0 0 447.586 1.041 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccc(Br)c1)N1CCN(C(=O)C2CC2)CC1 ZINC000014071291 556361077 /nfs/dbraw/zinc/36/10/77/556361077.db2.gz CQGRJKVKAZFQGD-UHFFFAOYSA-N 0 0 444.351 1.198 50 0 IDAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1=O ZINC000014071134 556361093 /nfs/dbraw/zinc/36/10/93/556361093.db2.gz SFHHKJHVLUJKDW-NRFANRHFSA-N 0 0 448.545 1.910 50 0 IDAARN Cc1nc(COc2ccccc2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000014083368 556363177 /nfs/dbraw/zinc/36/31/77/556363177.db2.gz MDZMJZFJBJNUNE-KRWDZBQOSA-N 0 0 435.571 1.975 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(Cc3ccc4c(c3)CCO4)CC1)C2=O ZINC000014083874 556363576 /nfs/dbraw/zinc/36/35/76/556363576.db2.gz XZSFQKFDUQHSMP-OSPHWJPCSA-N 0 0 440.544 1.766 50 0 IDAARN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000022927368 556367916 /nfs/dbraw/zinc/36/79/16/556367916.db2.gz OAYUUWMXJXVDTG-LJQANCHMSA-N 0 0 429.565 1.090 50 0 IDAARN COC(=O)c1sc(S(=O)(=O)N2CCN(C(=O)C(C)(C)C)CC2)c(C(=O)OC)c1C ZINC000032808860 556369551 /nfs/dbraw/zinc/36/95/51/556369551.db2.gz NYHVNNCRVKQSCH-UHFFFAOYSA-N 0 0 446.547 1.509 50 0 IDAARN COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000014119175 556371592 /nfs/dbraw/zinc/37/15/92/556371592.db2.gz TZGYAENWXPWFKE-HNNXBMFYSA-N 0 0 437.543 1.833 50 0 IDAARN O=C(CN1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)o2)CC1)NC1CC1 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COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1 ZINC000003426730 556815200 /nfs/dbraw/zinc/81/52/00/556815200.db2.gz ZROMIXYVWRLPEA-RDTXWAMCSA-N 0 0 434.518 1.218 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000003446942 556815738 /nfs/dbraw/zinc/81/57/38/556815738.db2.gz CUAQMIPJLBURJL-UHFFFAOYSA-N 0 0 425.532 1.648 50 0 IDAARN CCN(C(=O)COc1ncnc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000004166765 556820487 /nfs/dbraw/zinc/82/04/87/556820487.db2.gz IHURHSKNNJOPSX-LBPRGKRZSA-N 0 0 428.308 1.807 50 0 IDAARN C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000004327898 556821230 /nfs/dbraw/zinc/82/12/30/556821230.db2.gz PQDNLZJJAVCERK-TWLOVUBOSA-N 0 0 427.501 1.988 50 0 IDAARN C[C@](O)(CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2)c1ccc2c(c1)OCO2 ZINC000206659007 556826608 /nfs/dbraw/zinc/82/66/08/556826608.db2.gz DDFZDZQYTRBZIB-NRFANRHFSA-N 0 0 430.482 1.437 50 0 IDAARN CSc1nc2nc(C)c(CC(=O)OCCN3C(=O)c4ccccc4C3=O)c(C)n2n1 ZINC000019613974 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ZINC000008826309 556849268 /nfs/dbraw/zinc/84/92/68/556849268.db2.gz KVVIRNNSPDLDTQ-UHFFFAOYSA-N 0 0 445.541 1.779 50 0 IDAARN Cc1nc2c(cnn2-c2ccccc2)c(=O)n1NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000068739743 556849798 /nfs/dbraw/zinc/84/97/98/556849798.db2.gz ODFIBNWCSHVFAI-UHFFFAOYSA-N 0 0 443.511 1.783 50 0 IDAARN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000008853046 556850228 /nfs/dbraw/zinc/85/02/28/556850228.db2.gz HLNVRHRMVBOCHR-FZMZJTMJSA-N 0 0 441.893 1.376 50 0 IDAARN Cc1c(C(=O)N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)sc2[nH]cnc(=O)c12 ZINC000033073430 556852655 /nfs/dbraw/zinc/85/26/55/556852655.db2.gz BQUWLQXFGOUFAK-UHFFFAOYSA-N 0 0 425.514 1.957 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(OC(F)F)cc2)c(=O)n(C)c1=O ZINC000008937610 556852931 /nfs/dbraw/zinc/85/29/31/556852931.db2.gz PLDMMUSZXINTKP-UHFFFAOYSA-N 0 0 425.388 1.426 50 0 IDAARN COc1cccc(CNC(=O)CN2CCc3[nH]c4cc5c(cc4c(=O)c3C2)OCCO5)c1 ZINC000033129305 556868451 /nfs/dbraw/zinc/86/84/51/556868451.db2.gz 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CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc21 ZINC000033255727 556894989 /nfs/dbraw/zinc/89/49/89/556894989.db2.gz LFGQXZHUPATDRC-AWEZNQCLSA-N 0 0 436.515 1.680 50 0 IDAARN Cc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCCN5CCOCC5)CC4)nn32)cc1 ZINC000033260297 556897145 /nfs/dbraw/zinc/89/71/45/556897145.db2.gz BVPQRLKOTOTNNM-UHFFFAOYSA-N 0 0 449.559 1.765 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1C ZINC000072115818 556897877 /nfs/dbraw/zinc/89/78/77/556897877.db2.gz RBZGVUBHKKGAOA-UHFFFAOYSA-N 0 0 430.578 1.356 50 0 IDAARN O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)Nc1ccc(F)cc1 ZINC000019805815 556918377 /nfs/dbraw/zinc/91/83/77/556918377.db2.gz XVYNGNQBTXUJQH-UHFFFAOYSA-N 0 0 432.883 1.992 50 0 IDAARN COCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C3 ZINC000019821255 556924440 /nfs/dbraw/zinc/92/44/40/556924440.db2.gz QHQQUEAELIQKLQ-ZDUSSCGKSA-N 0 0 425.441 1.661 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(Cc1ccc(F)cc1)CC2 ZINC000019839367 556929174 /nfs/dbraw/zinc/92/91/74/556929174.db2.gz HZOBYGSYNHHCTK-UHFFFAOYSA-N 0 0 441.463 1.676 50 0 IDAARN C[C@@H]1CN(Cc2nnnn2CC(=O)N2CCN(c3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000019840000 556929354 /nfs/dbraw/zinc/92/93/54/556929354.db2.gz OXCUJMFGFDOUIZ-IYBDPMFKSA-N 0 0 433.944 1.285 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860579 556932861 /nfs/dbraw/zinc/93/28/61/556932861.db2.gz AJWITZYPJZNZAC-SFHVURJKSA-N 0 0 443.997 1.720 50 0 IDAARN CC1CCN(Cc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)CC1 ZINC000019897544 556940664 /nfs/dbraw/zinc/94/06/64/556940664.db2.gz BYAMLIXGTQDTAB-UHFFFAOYSA-N 0 0 425.536 1.680 50 0 IDAARN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000019909000 556942759 /nfs/dbraw/zinc/94/27/59/556942759.db2.gz FJCATROPVYSDER-IBGZPJMESA-N 0 0 433.530 1.391 50 0 IDAARN CN(C)S(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000019908980 556942930 /nfs/dbraw/zinc/94/29/30/556942930.db2.gz WMTZFRIWNRKFRO-HXUWFJFHSA-N 0 0 447.557 1.081 50 0 IDAARN CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)N1CCOCC1 ZINC000019925829 556945055 /nfs/dbraw/zinc/94/50/55/556945055.db2.gz ZOFLRBNKWHMEGI-UHFFFAOYSA-N 0 0 439.563 1.215 50 0 IDAARN COC(=O)c1ccc2c(c1)ncn(CC(=O)NCCc1ccc(OC)c(OC)c1)c2=O ZINC000020004220 556957726 /nfs/dbraw/zinc/95/77/26/556957726.db2.gz UQINUHKCYJTROV-UHFFFAOYSA-N 0 0 425.441 1.559 50 0 IDAARN Cc1ncn(-c2cc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)nc(C)n2)c1C ZINC000072446856 556973503 /nfs/dbraw/zinc/97/35/03/556973503.db2.gz DLWWGJXRIFBVCB-UHFFFAOYSA-N 0 0 433.516 1.666 50 0 IDAARN Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1 ZINC000020059889 556975852 /nfs/dbraw/zinc/97/58/52/556975852.db2.gz YRXJGRAVQYIBSQ-UHFFFAOYSA-N 0 0 438.532 1.388 50 0 IDAARN Cc1nn(CC(=O)NC[C@H]2CCCO2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267310 556981825 /nfs/dbraw/zinc/98/18/25/556981825.db2.gz JBRVOKFYRWTYCJ-GOSISDBHSA-N 0 0 432.484 1.977 50 0 IDAARN COC(=O)c1ccc(-c2noc([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)n2)cc1 ZINC000097105355 556987949 /nfs/dbraw/zinc/98/79/49/556987949.db2.gz DXVJLEIXIFHQDD-AWEZNQCLSA-N 0 0 442.453 1.691 50 0 IDAARN CCS(=O)(=O)N1CCC(C(=O)OC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000097117143 556991508 /nfs/dbraw/zinc/99/15/08/556991508.db2.gz SZWFMSMZYIQKCB-HNNXBMFYSA-N 0 0 434.555 1.963 50 0 IDAARN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2ccc(S(N)(=O)=O)c(F)c2)n1 ZINC000097163015 556994033 /nfs/dbraw/zinc/99/40/33/556994033.db2.gz AFVJKUWHAXBOPW-GFCCVEGCSA-N 0 0 428.442 1.832 50 0 IDAARN CN(C)S(=O)(=O)c1cc(NCc2ccoc2)cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000020201470 556997550 /nfs/dbraw/zinc/99/75/50/556997550.db2.gz BGMXVUHSPIYSHR-OAHLLOKOSA-N 0 0 434.518 1.480 50 0 IDAARN Nc1cc(N)nc(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198377 556997554 /nfs/dbraw/zinc/99/75/54/556997554.db2.gz AHVSAGISFNVUIQ-MRXNPFEDSA-N 0 0 430.515 1.761 50 0 IDAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(c4ccccc4)CC3)=C2)cc1 ZINC000020219973 557000462 /nfs/dbraw/zinc/00/04/62/557000462.db2.gz DBOWVLDKGQSZST-UHFFFAOYSA-N 0 0 440.525 1.907 50 0 IDAARN COCC(=O)Nc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000023100655 557000571 /nfs/dbraw/zinc/00/05/71/557000571.db2.gz DXBVSPQEQZNRJX-UHFFFAOYSA-N 0 0 433.486 1.781 50 0 IDAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023107261 557001842 /nfs/dbraw/zinc/00/18/42/557001842.db2.gz NOBJTEMIQJLOKS-GOSISDBHSA-N 0 0 429.448 1.725 50 0 IDAARN COc1cc(C(=O)Nc2cc(C(=O)N3CCOCC3)cn(C)c2=O)cc(OC)c1OC ZINC000023109226 557004188 /nfs/dbraw/zinc/00/41/88/557004188.db2.gz APRUTMSIXNQYGV-UHFFFAOYSA-N 0 0 431.445 1.136 50 0 IDAARN Cn1c2nc(N3CCCC3)n(C[C@H](O)COc3ccc4ccccc4c3)c2c(=O)n(C)c1=O ZINC000023115291 557005849 /nfs/dbraw/zinc/00/58/49/557005849.db2.gz OJEFOWWSWWHIGB-SFHVURJKSA-N 0 0 449.511 1.627 50 0 IDAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000020294823 557006341 /nfs/dbraw/zinc/00/63/41/557006341.db2.gz ROFCFJIHGZRUGX-IBGZPJMESA-N 0 0 426.517 1.871 50 0 IDAARN CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 ZINC000020354928 557009782 /nfs/dbraw/zinc/00/97/82/557009782.db2.gz MIYPNWYMJVMAAV-UHFFFAOYSA-N 0 0 440.504 1.054 50 0 IDAARN Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)N1CCCC1 ZINC000020416262 557014505 /nfs/dbraw/zinc/01/45/05/557014505.db2.gz YGJNMJAYWMQSBR-UHFFFAOYSA-N 0 0 427.527 1.635 50 0 IDAARN Cc1noc(C)c1CSCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000023133817 557017066 /nfs/dbraw/zinc/01/70/66/557017066.db2.gz VPHVOBHYDCXFRE-UHFFFAOYSA-N 0 0 445.588 1.923 50 0 IDAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134245 557017124 /nfs/dbraw/zinc/01/71/24/557017124.db2.gz SOAQUNFWLFDQNB-UHFFFAOYSA-N 0 0 429.484 1.979 50 0 IDAARN NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1 ZINC000010707119 557019382 /nfs/dbraw/zinc/01/93/82/557019382.db2.gz SEOJUHWCGCHKJL-UHFFFAOYSA-N 0 0 442.497 1.041 50 0 IDAARN COc1ccccc1C(=O)NCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000010705370 557019956 /nfs/dbraw/zinc/01/99/56/557019956.db2.gz XEXWPWKBBZKDAK-UHFFFAOYSA-N 0 0 434.514 1.830 50 0 IDAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)COc1ccccc1)CC2 ZINC000010705441 557020410 /nfs/dbraw/zinc/02/04/10/557020410.db2.gz JIAYFCSJTXZIGH-UHFFFAOYSA-N 0 0 434.514 1.587 50 0 IDAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000023138483 557021711 /nfs/dbraw/zinc/02/17/11/557021711.db2.gz KKSUOMGSRPNIFQ-UHFFFAOYSA-N 0 0 436.559 1.017 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)s1 ZINC000023141707 557023168 /nfs/dbraw/zinc/02/31/68/557023168.db2.gz CBLXKFVRIASQMW-HWKANZROSA-N 0 0 447.542 1.467 50 0 IDAARN CCn1c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1=O ZINC000010749326 557023895 /nfs/dbraw/zinc/02/38/95/557023895.db2.gz ZOUDBRGEQAEJKX-UHFFFAOYSA-N 0 0 442.541 1.664 50 0 IDAARN COCCNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)s1 ZINC000023141910 557024464 /nfs/dbraw/zinc/02/44/64/557024464.db2.gz IFLLPWZMCOSHBY-UHFFFAOYSA-N 0 0 435.575 1.664 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1OC ZINC000010755889 557024681 /nfs/dbraw/zinc/02/46/81/557024681.db2.gz PBDJVBMGQFHNPZ-UHFFFAOYSA-N 0 0 440.543 1.707 50 0 IDAARN COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)c1ccc(Cl)cc1 ZINC000072274983 557027131 /nfs/dbraw/zinc/02/71/31/557027131.db2.gz MZYVIIAOUKQXMF-UHFFFAOYSA-N 0 0 432.845 1.890 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1Cl ZINC000032945045 557028364 /nfs/dbraw/zinc/02/83/64/557028364.db2.gz HJKRAOJOMWUNFY-UHFFFAOYSA-N 0 0 438.845 1.619 50 0 IDAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1 ZINC000032945387 557029052 /nfs/dbraw/zinc/02/90/52/557029052.db2.gz SBXIUXJWCJDXET-AWEZNQCLSA-N 0 0 434.470 1.697 50 0 IDAARN Cn1c2ccccc2n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O ZINC000010823408 557030531 /nfs/dbraw/zinc/03/05/31/557030531.db2.gz RQAITMRLSONFEF-UHFFFAOYSA-N 0 0 428.514 1.263 50 0 IDAARN Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)no1 ZINC000011279977 557034499 /nfs/dbraw/zinc/03/44/99/557034499.db2.gz COSSQTNEUKVXLV-KGLIPLIRSA-N 0 0 446.485 1.714 50 0 IDAARN Cn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000032946743 557034581 /nfs/dbraw/zinc/03/45/81/557034581.db2.gz RJYYQUNLXNBFKH-UHFFFAOYSA-N 0 0 434.499 1.358 50 0 IDAARN O=C(NCc1ccccn1)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000017190316 557035588 /nfs/dbraw/zinc/03/55/88/557035588.db2.gz VQLVFYVVDTWNMJ-HSZRJFAPSA-N 0 0 444.539 1.773 50 0 IDAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCCCC1 ZINC000017192528 557037287 /nfs/dbraw/zinc/03/72/87/557037287.db2.gz WSRXKYCVDXXROA-UHFFFAOYSA-N 0 0 440.529 1.729 50 0 IDAARN Cc1cccc(NC(=O)CN2CCN(Cn3nnn(-c4cccs4)c3=O)CC2)c1C ZINC000022919712 557046694 /nfs/dbraw/zinc/04/66/94/557046694.db2.gz ZLEYIQDYSCRJFE-UHFFFAOYSA-N 0 0 427.534 1.321 50 0 IDAARN CCc1nnc(SCc2noc(CCC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)n2)[nH]1 ZINC000033270853 557047814 /nfs/dbraw/zinc/04/78/14/557047814.db2.gz CUCSWRMGKBAPBF-UHFFFAOYSA-N 0 0 441.473 1.840 50 0 IDAARN NC(=O)C1CCN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000022928422 557048835 /nfs/dbraw/zinc/04/88/35/557048835.db2.gz BHBYDEHYXYWSFT-UHFFFAOYSA-N 0 0 442.497 1.879 50 0 IDAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)CCCn3cncn3)CC2)c1 ZINC000048251146 557051849 /nfs/dbraw/zinc/05/18/49/557051849.db2.gz LLAWZGDFOMOGAM-UHFFFAOYSA-N 0 0 428.518 1.448 50 0 IDAARN CCn1c2ccccc2n(Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c(=O)c1=O ZINC000033272606 557052502 /nfs/dbraw/zinc/05/25/02/557052502.db2.gz QETISNCVQOCQPQ-QGZVFWFLSA-N 0 0 441.509 1.148 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2ncccn2)CC1 ZINC000017299821 557052711 /nfs/dbraw/zinc/05/27/11/557052711.db2.gz BGRWAEXPVCIZNV-ZDUSSCGKSA-N 0 0 443.451 1.511 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000017298931 557052742 /nfs/dbraw/zinc/05/27/42/557052742.db2.gz MLAIFQKHTLKCGG-LJQANCHMSA-N 0 0 431.562 1.827 50 0 IDAARN C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccc(N4CCO[C@H](C)C4)nc3)cn2)CCO1 ZINC000048287975 557053544 /nfs/dbraw/zinc/05/35/44/557053544.db2.gz GAMWQFGQIWCWQN-QZTJIDSGSA-N 0 0 440.548 1.926 50 0 IDAARN CC(C)(C)OC(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000048288736 557053946 /nfs/dbraw/zinc/05/39/46/557053946.db2.gz NZLQKFCFNBEPAZ-UHFFFAOYSA-N 0 0 432.564 1.987 50 0 IDAARN Cc1ccc(C(=O)NCCNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1F ZINC000022976322 557055444 /nfs/dbraw/zinc/05/54/44/557055444.db2.gz LLGSXLHDABVGFO-UHFFFAOYSA-N 0 0 443.447 1.627 50 0 IDAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)c2)n1 ZINC000048277495 557056647 /nfs/dbraw/zinc/05/66/47/557056647.db2.gz KGIFJYCUQVOMFF-UHFFFAOYSA-N 0 0 448.439 1.247 50 0 IDAARN O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000048278521 557057078 /nfs/dbraw/zinc/05/70/78/557057078.db2.gz IROXBXLUHXQRAT-KBPBESRZSA-N 0 0 434.436 1.280 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000017333587 557060661 /nfs/dbraw/zinc/06/06/61/557060661.db2.gz XRGQYBSLFSLHEJ-UHFFFAOYSA-N 0 0 434.496 1.416 50 0 IDAARN O=S(=O)(NCCNc1cc(N2CCOCC2)ncn1)c1cccc(C(F)(F)F)c1 ZINC000082230629 557061925 /nfs/dbraw/zinc/06/19/25/557061925.db2.gz WFRPAWOQDFDCKC-UHFFFAOYSA-N 0 0 431.440 1.722 50 0 IDAARN COc1cc(C(=O)NCC(=O)Nc2cccc(NS(C)(=O)=O)c2)cc(OC)c1OC ZINC000023100211 557063064 /nfs/dbraw/zinc/06/30/64/557063064.db2.gz KEIHAUNWGFVRSQ-UHFFFAOYSA-N 0 0 437.474 1.452 50 0 IDAARN C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@@H](C)O1 ZINC000023113489 557064079 /nfs/dbraw/zinc/06/40/79/557064079.db2.gz WCBJNPWTDHKEBU-QZTJIDSGSA-N 0 0 428.533 1.940 50 0 IDAARN C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@H](C)O1 ZINC000023113491 557064093 /nfs/dbraw/zinc/06/40/93/557064093.db2.gz WCBJNPWTDHKEBU-ROUUACIJSA-N 0 0 428.533 1.940 50 0 IDAARN O=C(NCc1cccnc1OCc1ccccc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000048324918 557065623 /nfs/dbraw/zinc/06/56/23/557065623.db2.gz KCFCDQHXGPOKMZ-RBUKOAKNSA-N 0 0 443.525 1.312 50 0 IDAARN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000048326215 557066873 /nfs/dbraw/zinc/06/68/73/557066873.db2.gz SHKBLGCSIDWVHT-IBGZPJMESA-N 0 0 430.484 1.002 50 0 IDAARN C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)NC(C)(C)C ZINC000048312585 557066886 /nfs/dbraw/zinc/06/68/86/557066886.db2.gz MGKXEZYRWXQTQG-SECBINFHSA-N 0 0 441.369 1.434 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(CC(=O)Nc2ccccc2OCC)c1=O ZINC000010883703 557068167 /nfs/dbraw/zinc/06/81/67/557068167.db2.gz KOESQOLECLSGSP-UHFFFAOYSA-N 0 0 443.504 1.762 50 0 IDAARN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 ZINC000010892572 557073703 /nfs/dbraw/zinc/07/37/03/557073703.db2.gz MKJZSSLNHFCULG-UHFFFAOYSA-N 0 0 439.515 1.801 50 0 IDAARN CCCN(C(=O)CSc1nnnn1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000010886154 557074268 /nfs/dbraw/zinc/07/42/68/557074268.db2.gz JPSPXLDUASEFHQ-ZDUSSCGKSA-N 0 0 425.536 1.189 50 0 IDAARN Cn1c2ccc(S(=O)(=O)Nc3ccc4nc(S(C)(=O)=O)sc4c3)cc2oc1=O ZINC000033298960 557075060 /nfs/dbraw/zinc/07/50/60/557075060.db2.gz XSOWJYIXRDOLKP-UHFFFAOYSA-N 0 0 439.496 1.946 50 0 IDAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000048374712 557076680 /nfs/dbraw/zinc/07/66/80/557076680.db2.gz WUPAUWNNSCPSSI-OAHLLOKOSA-N 0 0 425.551 1.833 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000048374880 557077069 /nfs/dbraw/zinc/07/70/69/557077069.db2.gz XTKXOCUSYRCJAP-AWEZNQCLSA-N 0 0 431.580 1.443 50 0 IDAARN COc1ccc(C(=O)CSc2nnc(NC(=O)CN(C)S(C)(=O)=O)s2)cc1 ZINC000048984897 557081955 /nfs/dbraw/zinc/08/19/55/557081955.db2.gz QBLXMWXINMAESX-UHFFFAOYSA-N 0 0 430.533 1.352 50 0 IDAARN COc1cc(CSc2nnc(NC(=O)CN(C)S(C)(=O)=O)s2)cc(OC)c1 ZINC000048984882 557081961 /nfs/dbraw/zinc/08/19/61/557081961.db2.gz PZIFLROXCUUVAJ-UHFFFAOYSA-N 0 0 432.549 1.678 50 0 IDAARN CCOC(=O)N1CCN(c2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N)n2)CC1 ZINC000033301900 557083326 /nfs/dbraw/zinc/08/33/26/557083326.db2.gz YKSLLQTUZXLPCM-UHFFFAOYSA-N 0 0 425.898 1.824 50 0 IDAARN CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC[C@H](O)CO ZINC000043771974 557090054 /nfs/dbraw/zinc/09/00/54/557090054.db2.gz NWKPOVHSHWJQNI-LGECDGEFSA-N 0 0 428.566 1.855 50 0 in-vitro IDAARN COc1cc(C(=O)O[C@H](C(N)=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000011328684 557091228 /nfs/dbraw/zinc/09/12/28/557091228.db2.gz ZNHGRKKVRWDAAG-FQEVSTJZSA-N 0 0 428.441 1.316 50 0 IDAARN CCOC(=O)[C@@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)Cc1ccccc1 ZINC000060269964 557093643 /nfs/dbraw/zinc/09/36/43/557093643.db2.gz NLRAQFXOUSQLMQ-MRXNPFEDSA-N 0 0 431.514 1.577 50 0 IDAARN CNC(=O)NC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 ZINC000023486123 557094482 /nfs/dbraw/zinc/09/44/82/557094482.db2.gz FGSJQBIFYRMZQY-QSZISKGPSA-N 0 0 430.461 1.227 50 0 IDAARN CCOC(=O)CS[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000023515196 557095509 /nfs/dbraw/zinc/09/55/09/557095509.db2.gz UWFYWHRNTGIJFJ-AWEZNQCLSA-N 0 0 430.548 1.639 50 0 IDAARN COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc2c1=O ZINC000004766421 557096436 /nfs/dbraw/zinc/09/64/36/557096436.db2.gz OXEJDGGLLGBYSI-UHFFFAOYSA-N 0 0 436.512 1.915 50 0 IDAARN CC(C)NC(=O)Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCCC[C@@H]2C)c1=O ZINC000049402412 557097987 /nfs/dbraw/zinc/09/79/87/557097987.db2.gz LTZYXDNSLOUZPO-HNNXBMFYSA-N 0 0 440.500 1.835 50 0 IDAARN CC(C)Cn1c(=O)c2nscc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O ZINC000049403833 557099572 /nfs/dbraw/zinc/09/95/72/557099572.db2.gz XSEOAWHKFDKUNT-UHFFFAOYSA-N 0 0 427.530 1.625 50 0 IDAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000017638043 557101642 /nfs/dbraw/zinc/10/16/42/557101642.db2.gz WWWWLCSLLIKJAF-CYBMUJFWSA-N 0 0 429.420 1.994 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000023636618 557101788 /nfs/dbraw/zinc/10/17/88/557101788.db2.gz VKEOJJFROPVVME-UHFFFAOYSA-N 0 0 430.385 1.740 50 0 IDAARN Cc1nnc(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1 ZINC000023638769 557101818 /nfs/dbraw/zinc/10/18/18/557101818.db2.gz WWOVNWBGCJNWIJ-UHFFFAOYSA-N 0 0 431.543 1.691 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000023649099 557102897 /nfs/dbraw/zinc/10/28/97/557102897.db2.gz YCMAYWPEVDNPJJ-FQEVSTJZSA-N 0 0 430.480 1.956 50 0 IDAARN Cc1[nH]c(C(=O)N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)c(C)c1C(=O)OC(C)C ZINC000085621513 557103254 /nfs/dbraw/zinc/10/32/54/557103254.db2.gz TZJSNPXLYVOHFN-SFHVURJKSA-N 0 0 448.564 1.497 50 0 IDAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000023654395 557103440 /nfs/dbraw/zinc/10/34/40/557103440.db2.gz LHCZAMIZIYODJP-UHFFFAOYSA-N 0 0 440.544 1.911 50 0 IDAARN COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc1OC ZINC000049409097 557104015 /nfs/dbraw/zinc/10/40/15/557104015.db2.gz AMVPRLIQOOAZPI-UHFFFAOYSA-N 0 0 449.529 1.925 50 0 IDAARN CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)NC2c3ccccc3-c3ccccc32)C1=O ZINC000011349638 557104233 /nfs/dbraw/zinc/10/42/33/557104233.db2.gz SJLWROBRSOWSGR-KRWDZBQOSA-N 0 0 427.482 1.228 50 0 IDAARN O=C(CN1CCN(C(=O)N2CCCCC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000023662820 557104957 /nfs/dbraw/zinc/10/49/57/557104957.db2.gz IJXSQDVBQMEYOD-UHFFFAOYSA-N 0 0 431.493 1.329 50 0 IDAARN COCCN(CCC(=O)OC)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000072282089 557105138 /nfs/dbraw/zinc/10/51/38/557105138.db2.gz YKTKYMTWHHPBDI-UHFFFAOYSA-N 0 0 439.559 1.745 50 0 IDAARN CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCOCC1 ZINC000023674130 557105323 /nfs/dbraw/zinc/10/53/23/557105323.db2.gz SBDKDTQYCREJRI-UHFFFAOYSA-N 0 0 427.542 1.453 50 0 IDAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1ccc3c(c1)OCO3)C2=O ZINC000023673892 557105355 /nfs/dbraw/zinc/10/53/55/557105355.db2.gz HBYPNTIGOYMUNA-UHFFFAOYSA-N 0 0 445.472 1.466 50 0 IDAARN CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000023674154 557105403 /nfs/dbraw/zinc/10/54/03/557105403.db2.gz FJPLGJDUBRILPR-AZUAARDMSA-N 0 0 425.595 1.200 50 0 IDAARN COc1cc(C)c(CN2CCN(C(=O)CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1OC ZINC000023674791 557105691 /nfs/dbraw/zinc/10/56/91/557105691.db2.gz AROPUVSDJLELSG-UHFFFAOYSA-N 0 0 443.544 1.976 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O)NCc1ccc2c(c1)OCO2 ZINC000049410484 557105831 /nfs/dbraw/zinc/10/58/31/557105831.db2.gz DDVSOUMCIDFCJI-UHFFFAOYSA-N 0 0 433.486 1.068 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O)Nc1ccc(F)c(Cl)c1 ZINC000049410602 557105850 /nfs/dbraw/zinc/10/58/50/557105850.db2.gz PGWPGPFWBBZETP-UHFFFAOYSA-N 0 0 429.857 1.300 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)NCc1ccc2c(c1)OCO2 ZINC000049410536 557105883 /nfs/dbraw/zinc/10/58/83/557105883.db2.gz IHPHIXXZBAZGBJ-UHFFFAOYSA-N 0 0 447.513 1.458 50 0 IDAARN Cc1ccc(-c2csc3c2[nH]c(N2CCC[C@H](C(=O)NCC(N)=O)C2)nc3=O)cc1 ZINC000049421308 557107778 /nfs/dbraw/zinc/10/77/78/557107778.db2.gz PNFIKDBENRWQEI-AWEZNQCLSA-N 0 0 425.514 1.778 50 0 IDAARN COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccccc3OC)n2)cc1 ZINC000049421688 557108456 /nfs/dbraw/zinc/10/84/56/557108456.db2.gz ASEXQNXYWARPJB-UHFFFAOYSA-N 0 0 429.454 1.732 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCCC4)C3=O)CC2)cc1 ZINC000023717785 557110187 /nfs/dbraw/zinc/11/01/87/557110187.db2.gz QCTXTIPXOMPVRD-UHFFFAOYSA-N 0 0 447.557 1.862 50 0 IDAARN O=C1NC2(CCCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000023718219 557110209 /nfs/dbraw/zinc/11/02/09/557110209.db2.gz RPFLFEDAYNJBMS-UHFFFAOYSA-N 0 0 446.573 1.694 50 0 IDAARN Cc1cccc(-c2nc(CN3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)CC3)no2)c1 ZINC000033327643 557110313 /nfs/dbraw/zinc/11/03/13/557110313.db2.gz XDJYYKNGQTXSNH-UHFFFAOYSA-N 0 0 445.479 1.985 50 0 IDAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)c(OC)c4)ncn3n2)cc1 ZINC000033331641 557115686 /nfs/dbraw/zinc/11/56/86/557115686.db2.gz VHKCYPVDYVPKAH-UHFFFAOYSA-N 0 0 449.467 1.900 50 0 IDAARN CCN(CC(=O)NCc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000023805515 557117042 /nfs/dbraw/zinc/11/70/42/557117042.db2.gz LJAIOIFXERQEEQ-NRFANRHFSA-N 0 0 428.514 1.680 50 0 IDAARN O=C(CCn1ccnc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000023805847 557117389 /nfs/dbraw/zinc/11/73/89/557117389.db2.gz CPWVITDYAJZUPJ-UHFFFAOYSA-N 0 0 426.546 1.794 50 0 IDAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1ccccc1CN1CCOCC1 ZINC000023806061 557117709 /nfs/dbraw/zinc/11/77/09/557117709.db2.gz LUCAFAHHADILRZ-UHFFFAOYSA-N 0 0 448.523 1.207 50 0 IDAARN O=C(CSc1nnnn1-c1ccc(O)cc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000023881823 557122558 /nfs/dbraw/zinc/12/25/58/557122558.db2.gz RQMDASBSUXUEIF-UHFFFAOYSA-N 0 0 440.529 1.609 50 0 IDAARN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)CC1 ZINC000008828751 557124746 /nfs/dbraw/zinc/12/47/46/557124746.db2.gz OKODXEZWRZODPP-UHFFFAOYSA-N 0 0 441.550 1.609 50 0 IDAARN O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000023247928 557125818 /nfs/dbraw/zinc/12/58/18/557125818.db2.gz ZGPKMRJXUWLQLA-SFHVURJKSA-N 0 0 449.573 1.861 50 0 IDAARN CCCCN(C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000024004521 557131539 /nfs/dbraw/zinc/13/15/39/557131539.db2.gz DREJXTQUIUNJNM-RBZFPXEDSA-N 0 0 437.566 1.506 50 0 IDAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3c(c1)C(=O)N(C)C3=O)C2=O ZINC000024020871 557131869 /nfs/dbraw/zinc/13/18/69/557131869.db2.gz IPOLQQKTYIWBGT-YTEVENLXSA-N 0 0 426.473 1.988 50 0 IDAARN C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000024751705 557133985 /nfs/dbraw/zinc/13/39/85/557133985.db2.gz AWRMSZORVRJMMV-LBPRGKRZSA-N 0 0 444.351 1.197 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1NC(C)=O ZINC000024084337 557135815 /nfs/dbraw/zinc/13/58/15/557135815.db2.gz IIJURQCTZMHFFL-SFHVURJKSA-N 0 0 437.518 1.907 50 0 IDAARN O=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024777092 557138093 /nfs/dbraw/zinc/13/80/93/557138093.db2.gz FOCIWUVIMSUDHY-UHFFFAOYSA-N 0 0 447.499 1.517 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000011403014 557141979 /nfs/dbraw/zinc/14/19/79/557141979.db2.gz LIXSPGSGPQYUPM-HZPDHXFCSA-N 0 0 438.546 1.677 50 0 IDAARN O=C(CN1CCN(Cc2ccsc2)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000023264090 557143785 /nfs/dbraw/zinc/14/37/85/557143785.db2.gz RWNPHCNQBYSSEL-LJQANCHMSA-N 0 0 425.620 1.824 50 0 IDAARN Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)n1 ZINC000024374175 557145608 /nfs/dbraw/zinc/14/56/08/557145608.db2.gz SYEPWIZXFIVRPQ-UHFFFAOYSA-N 0 0 446.529 1.500 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000024470376 557147676 /nfs/dbraw/zinc/14/76/76/557147676.db2.gz RJZDLKMVGZJPIA-UHFFFAOYSA-N 0 0 425.507 1.295 50 0 IDAARN CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)OC ZINC000009669174 557150038 /nfs/dbraw/zinc/15/00/38/557150038.db2.gz NZGJQPDHMSCHRL-UONOGXRCSA-N 0 0 436.559 1.814 50 0 IDAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000024528378 557150342 /nfs/dbraw/zinc/15/03/42/557150342.db2.gz ZRRCLRHPDLCCTC-QGZVFWFLSA-N 0 0 436.965 1.838 50 0 IDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 ZINC000024707168 557159449 /nfs/dbraw/zinc/15/94/49/557159449.db2.gz MQUTXRMZYHFWKE-UHFFFAOYSA-N 0 0 441.440 1.160 50 0 IDAARN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)[C@H]3C[C@@H]3C)CC2)c(C)c1C ZINC000024756737 557163300 /nfs/dbraw/zinc/16/33/00/557163300.db2.gz ANMLTDWPEIYOMM-DJJJIMSYSA-N 0 0 435.590 1.834 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000024770072 557165560 /nfs/dbraw/zinc/16/55/60/557165560.db2.gz SLRCEJPUABCDFA-UHFFFAOYSA-N 0 0 441.406 1.773 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1F ZINC000206911414 557166690 /nfs/dbraw/zinc/16/66/90/557166690.db2.gz JUHXAGALOZJXAE-UHFFFAOYSA-N 0 0 433.469 1.106 50 0 IDAARN COCCCNC(=O)CN1CCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)CC1 ZINC000024781281 557167420 /nfs/dbraw/zinc/16/74/20/557167420.db2.gz HDFPHSZWNNVPRZ-UHFFFAOYSA-N 0 0 446.527 1.029 50 0 IDAARN O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000024802998 557168372 /nfs/dbraw/zinc/16/83/72/557168372.db2.gz LHMBPZQMHSQTDS-PBHICJAKSA-N 0 0 425.938 1.024 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 ZINC000024839439 557172998 /nfs/dbraw/zinc/17/29/98/557172998.db2.gz DAWWTDIVSYPWIT-CHWSQXEVSA-N 0 0 442.028 1.931 50 0 IDAARN CCCn1c2nnc(-c3cc(Br)ccc3OC)n2c2c1c(=O)n(C)c(=O)n2C ZINC000010969961 557181539 /nfs/dbraw/zinc/18/15/39/557181539.db2.gz IWQBECAXAXGKMY-UHFFFAOYSA-N 0 0 447.293 1.930 50 0 IDAARN Cc1ccc(CC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 ZINC000024962635 557182817 /nfs/dbraw/zinc/18/28/17/557182817.db2.gz LWHOYOGQCUDHRY-UHFFFAOYSA-N 0 0 444.557 1.302 50 0 IDAARN CCn1c(CCC(=O)NCc2ccc(OC)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024963028 557182835 /nfs/dbraw/zinc/18/28/35/557182835.db2.gz LDKOUYZETUAFQW-UHFFFAOYSA-N 0 0 445.545 1.959 50 0 IDAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccsc3)NC(=O)N2CC)CC1 ZINC000096210862 557183249 /nfs/dbraw/zinc/18/32/49/557183249.db2.gz MMHHBRUIQAQPGM-GOSISDBHSA-N 0 0 449.577 1.999 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011559112 557184320 /nfs/dbraw/zinc/18/43/20/557184320.db2.gz VOPFNTQDZNURQT-INIZCTEOSA-N 0 0 446.481 1.656 50 0 IDAARN CCOc1ccc(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 ZINC000024992477 557188046 /nfs/dbraw/zinc/18/80/46/557188046.db2.gz CFGHORGFOWAYDH-UHFFFAOYSA-N 0 0 445.541 1.965 50 0 IDAARN NS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000025008554 557188975 /nfs/dbraw/zinc/18/89/75/557188975.db2.gz HGAOXWKSBWGPCY-UHFFFAOYSA-N 0 0 449.360 1.193 50 0 IDAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)CC1 ZINC000025014470 557189689 /nfs/dbraw/zinc/18/96/89/557189689.db2.gz NYUMSMYMTCNMFA-HXUWFJFHSA-N 0 0 443.525 1.733 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000025066451 557193839 /nfs/dbraw/zinc/19/38/39/557193839.db2.gz HKIKFVZGDWWQQV-UHFFFAOYSA-N 0 0 449.558 1.789 50 0 IDAARN O=C(CCNC(=O)CCC(=O)c1cccs1)NCc1ccc(N2CCOCC2)nc1 ZINC000025067163 557194315 /nfs/dbraw/zinc/19/43/15/557194315.db2.gz GMBLSUPPUSHCHM-UHFFFAOYSA-N 0 0 430.530 1.765 50 0 IDAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000025077000 557194554 /nfs/dbraw/zinc/19/45/54/557194554.db2.gz LZYBPCFJNOHHBT-UHFFFAOYSA-N 0 0 438.406 1.777 50 0 IDAARN O=C(NCCN1CCN(C(=O)c2cccc(Cl)c2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000096301019 557194587 /nfs/dbraw/zinc/19/45/87/557194587.db2.gz WCFBXMZBOOMYPK-UHFFFAOYSA-N 0 0 439.903 1.764 50 0 IDAARN Cn1c(OCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C ZINC000000789639 557194739 /nfs/dbraw/zinc/19/47/39/557194739.db2.gz QYRWTXIEOJIZOX-UHFFFAOYSA-N 0 0 438.415 1.929 50 0 biogenic IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(C)c(C)c1 ZINC000100876692 557195326 /nfs/dbraw/zinc/19/53/26/557195326.db2.gz JWPARFFZOAMBIF-VZCXRCSSSA-N 0 0 433.511 1.881 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100876653 557195362 /nfs/dbraw/zinc/19/53/62/557195362.db2.gz GETCARKJLXJSGU-VZCXRCSSSA-N 0 0 447.494 1.467 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(N(C)C)cc1 ZINC000100876808 557195369 /nfs/dbraw/zinc/19/53/69/557195369.db2.gz STHCFHGCCMDAGT-VZCXRCSSSA-N 0 0 448.526 1.330 50 0 IDAARN COc1ccccc1N1CCN(C(=O)[C@@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000025108024 557195542 /nfs/dbraw/zinc/19/55/42/557195542.db2.gz KAPDODRYSLCGEU-MRXNPFEDSA-N 0 0 449.511 1.328 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cc(C)on3)CC2)o1 ZINC000025138938 557196078 /nfs/dbraw/zinc/19/60/78/557196078.db2.gz BJTYTCYAZMQSOA-UHFFFAOYSA-N 0 0 439.490 1.812 50 0 IDAARN C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O ZINC000010971205 557196913 /nfs/dbraw/zinc/19/69/13/557196913.db2.gz KZAYARUJFBCNBQ-QFIPXVFZSA-N 0 0 441.509 1.985 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccs1 ZINC000100877452 557197316 /nfs/dbraw/zinc/19/73/16/557197316.db2.gz CUAWPFOVKLLKJK-VLGSPTGOSA-N 0 0 425.513 1.716 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1OC ZINC000100877642 557197856 /nfs/dbraw/zinc/19/78/56/557197856.db2.gz GJZVVBMYUFVPOK-VZCXRCSSSA-N 0 0 449.510 1.663 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)CCc1ccccc1 ZINC000100877663 557197973 /nfs/dbraw/zinc/19/79/73/557197973.db2.gz LIELSPUWVBXISK-XDOYNYLZSA-N 0 0 447.538 1.973 50 0 IDAARN Cc1c(C)n(-c2ccc(C(N)=O)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n12 ZINC000072233892 557199398 /nfs/dbraw/zinc/19/93/98/557199398.db2.gz KAHJDCHQROLGCB-UHFFFAOYSA-N 0 0 442.479 1.903 50 0 IDAARN O=C(c1cccs1)N1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 ZINC000025271418 557202209 /nfs/dbraw/zinc/20/22/09/557202209.db2.gz HIUFIVPZBPYXTP-UHFFFAOYSA-N 0 0 438.509 1.982 50 0 IDAARN O=C(CSc1nnnn1-c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000025329202 557204591 /nfs/dbraw/zinc/20/45/91/557204591.db2.gz GMDKXZFVFOINQI-UHFFFAOYSA-N 0 0 438.513 1.828 50 0 IDAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)N1CCc1ccccc1 ZINC000025392188 557207457 /nfs/dbraw/zinc/20/74/57/557207457.db2.gz VQSGYMDJDLFWFE-KRWDZBQOSA-N 0 0 433.555 1.425 50 0 IDAARN O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O)NC[C@H]1CCCO1 ZINC000247714491 557208254 /nfs/dbraw/zinc/20/82/54/557208254.db2.gz MNDUCYMJQOXZRU-UYAOXDASSA-N 0 0 440.544 1.923 50 0 IDAARN C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000025404603 557208587 /nfs/dbraw/zinc/20/85/87/557208587.db2.gz YIQLDXQBKAAOHW-UZLBHIALSA-N 0 0 444.532 1.518 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000025436482 557209603 /nfs/dbraw/zinc/20/96/03/557209603.db2.gz UIXXAZGFNJTXDC-UHFFFAOYSA-N 0 0 437.587 1.421 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)NCc3ccc(F)cc3)c(=O)n3c2CCCCC3)no1 ZINC000169763968 557211405 /nfs/dbraw/zinc/21/14/05/557211405.db2.gz CSJSWCXVVLCESC-UHFFFAOYSA-N 0 0 441.463 1.804 50 0 IDAARN Cc1nc(-c2c(=O)n(CC(=O)NCc3ccc(F)cc3)c(=O)n3c2CCCCC3)no1 ZINC000169764020 557211418 /nfs/dbraw/zinc/21/14/18/557211418.db2.gz 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439.899 1.684 50 0 biogenic IDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000105377552 557497059 /nfs/dbraw/zinc/49/70/59/557497059.db2.gz DUCJOSYWMDPMOJ-XYCWUBKJSA-N 0 0 449.507 1.613 50 0 biogenic IDAARN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000105778957 557510946 /nfs/dbraw/zinc/51/09/46/557510946.db2.gz FCPGTYGLNWQLEO-ZNMIVQPWSA-N 0 0 443.591 1.681 50 0 IDAARN CC(=O)N[C@@H]1[C@H](Oc2ccc(C)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000105916968 557512251 /nfs/dbraw/zinc/51/22/51/557512251.db2.gz QHNUAZWNAPSBQV-VIYGXFRKSA-N 0 0 437.445 1.030 50 0 IDAARN COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000012029479 557524683 /nfs/dbraw/zinc/52/46/83/557524683.db2.gz BYLWECWSPSSSNL-LJQANCHMSA-N 0 0 437.539 1.629 50 0 IDAARN CCCn1c(CCC(=O)O[C@@H](C)C(N)=O)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012045710 557525404 /nfs/dbraw/zinc/52/54/04/557525404.db2.gz HIOBIEZALVIPOW-AWEZNQCLSA-N 0 0 436.534 1.580 50 0 IDAARN O=C(NCCCc1ccccc1)C(=O)NC[C@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000012080731 557527426 /nfs/dbraw/zinc/52/74/26/557527426.db2.gz WVDSSQHABJBYDJ-HXUWFJFHSA-N 0 0 439.468 1.079 50 0 IDAARN NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2S1 ZINC000107169099 557535095 /nfs/dbraw/zinc/53/50/95/557535095.db2.gz DICCXHOPHCSSGA-SOLBZPMBSA-N 0 0 436.445 1.936 50 0 IDAARN CCOC(=O)C1CCN(C(=O)Cn2c3ccccc3c(=O)n(CCCOC)c2=O)CC1 ZINC000044841107 557539554 /nfs/dbraw/zinc/53/95/54/557539554.db2.gz RLVGQVKORQBBQG-UHFFFAOYSA-N 0 0 431.489 1.001 50 0 IDAARN COc1ccccc1CCNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000044892214 557539887 /nfs/dbraw/zinc/53/98/87/557539887.db2.gz OSECOOGMNOGOEP-UHFFFAOYSA-N 0 0 447.539 1.937 50 0 IDAARN O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nnc([C@H]2CCCO2)s1 ZINC000044901218 557540219 /nfs/dbraw/zinc/54/02/19/557540219.db2.gz OHFMAWNUPLTSOM-OAHLLOKOSA-N 0 0 434.497 1.999 50 0 IDAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nccs1 ZINC000044902395 557540445 /nfs/dbraw/zinc/54/04/45/557540445.db2.gz DZRRYKPWVXMGON-UHFFFAOYSA-N 0 0 426.495 1.534 50 0 IDAARN O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccnc1 ZINC000044902025 557540475 /nfs/dbraw/zinc/54/04/75/557540475.db2.gz RDCVJSMJWBSXHQ-UHFFFAOYSA-N 0 0 434.493 1.863 50 0 IDAARN O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000108479372 557543012 /nfs/dbraw/zinc/54/30/12/557543012.db2.gz VKTYFABUADBNOK-QBPKDAKJSA-N 0 0 432.464 1.111 50 0 IDAARN COC(=O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nn1 ZINC000040152511 557704380 /nfs/dbraw/zinc/70/43/80/557704380.db2.gz TUDJJWLHMPJTJQ-GOEBONIOSA-N 0 0 446.508 1.262 50 0 IDAARN COc1cc(C(=O)NCC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)cc(OC)c1OC ZINC000225526338 557736329 /nfs/dbraw/zinc/73/63/29/557736329.db2.gz NQSUJSZYWXWVIT-INIZCTEOSA-N 0 0 445.520 1.269 50 0 IDAARN COc1cc([C@@H]2CN(C(=O)NC(C)C)C[C@H]2C(=O)N2CCOCC2)cc(OC)c1OC ZINC000096211428 557768709 /nfs/dbraw/zinc/76/87/09/557768709.db2.gz UOVYKTOPYIBVTF-DLBZAZTESA-N 0 0 435.521 1.705 50 0 IDAARN O=C(Cn1ccc2ccccc2c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000225729839 557769754 /nfs/dbraw/zinc/76/97/54/557769754.db2.gz AWFYJPKHDFLRRW-UHFFFAOYSA-N 0 0 425.510 1.676 50 0 IDAARN COCCN1CC[C@@H](N2CCCN(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)C1=O ZINC000096310673 557778349 /nfs/dbraw/zinc/77/83/49/557778349.db2.gz FDBVXRRFJOIVJQ-GOSISDBHSA-N 0 0 447.960 1.564 50 0 IDAARN COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)s1 ZINC000225829683 557782215 /nfs/dbraw/zinc/78/22/15/557782215.db2.gz BXMRXNKTLVIUDN-GFCCVEGCSA-N 0 0 425.536 1.587 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850878 557830841 /nfs/dbraw/zinc/83/08/41/557830841.db2.gz CHABZSKUTBDJHP-INIZCTEOSA-N 0 0 427.505 1.552 50 0 IDAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 ZINC000000859436 557831551 /nfs/dbraw/zinc/83/15/51/557831551.db2.gz PBFURKMOUOWFGW-AZUAARDMSA-N 0 0 442.578 1.580 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCOCC2)C(C)C)cc1 ZINC000000859415 557831558 /nfs/dbraw/zinc/83/15/58/557831558.db2.gz HKUOYGONOPCVPJ-LJQANCHMSA-N 0 0 428.551 1.190 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000229438554 557832251 /nfs/dbraw/zinc/83/22/51/557832251.db2.gz MROJAWPVLXWBLG-GUDVDZBRSA-N 0 0 432.542 1.768 50 0 IDAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000013574167 557836324 /nfs/dbraw/zinc/83/63/24/557836324.db2.gz UXKZVKPESZJUQE-UEKNLZFZSA-N 0 0 436.306 1.350 50 0 IDAARN O=C(CCS(=O)(=O)N1CCOCC1)NC[C@H](c1ccc(Cl)cc1)n1cccn1 ZINC000240465896 557845503 /nfs/dbraw/zinc/84/55/03/557845503.db2.gz GBFBVEZZEZNPGH-QGZVFWFLSA-N 0 0 426.926 1.294 50 0 IDAARN CCN(CC)C(=O)CN(C)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000241132906 557845927 /nfs/dbraw/zinc/84/59/27/557845927.db2.gz JMZNFHITJPGZRW-GOSISDBHSA-N 0 0 425.551 1.775 50 0 IDAARN COC(=O)C1(NC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CCS(=O)(=O)CC1 ZINC000241170952 557846189 /nfs/dbraw/zinc/84/61/89/557846189.db2.gz KDBWAJVOTHJVRM-HZPDHXFCSA-N 0 0 438.546 1.146 50 0 IDAARN O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000018821770 557860528 /nfs/dbraw/zinc/86/05/28/557860528.db2.gz PRQVKFFDCABAAB-MRXNPFEDSA-N 0 0 431.489 1.712 50 0 IDAARN C[C@H]1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C[C@H](C)O1 ZINC000003211088 562932818 /nfs/dbraw/zinc/93/28/18/562932818.db2.gz FYIMWSZNJAFECY-STQMWFEESA-N 0 0 447.351 1.719 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001133061 562920658 /nfs/dbraw/zinc/92/06/58/562920658.db2.gz LCOSEPUJCNLFNC-UHFFFAOYSA-N 0 0 443.481 1.332 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1cccnc1 ZINC000001839236 562924836 /nfs/dbraw/zinc/92/48/36/562924836.db2.gz AYKNIMNMOOKULJ-GOSISDBHSA-N 0 0 431.330 1.061 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c(NCCCOC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000002202013 562926292 /nfs/dbraw/zinc/92/62/92/562926292.db2.gz CBUKOAZGSAQYSF-INIZCTEOSA-N 0 0 445.520 1.399 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000002635699 562928927 /nfs/dbraw/zinc/92/89/27/562928927.db2.gz RILGQTKSCSDDKC-UHFFFAOYSA-N 0 0 438.278 1.587 50 0 IDAARN CCc1nnc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)s1 ZINC000002658847 562929575 /nfs/dbraw/zinc/92/95/75/562929575.db2.gz ZQHKRPMQQMGPCM-HNNXBMFYSA-N 0 0 426.520 1.813 50 0 IDAARN CCN(CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1 ZINC000002943270 562930987 /nfs/dbraw/zinc/93/09/87/562930987.db2.gz XITLIFCXHDVXQK-UHFFFAOYSA-N 0 0 435.528 1.854 50 0 IDAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002954168 562931183 /nfs/dbraw/zinc/93/11/83/562931183.db2.gz SNSZRWRCGOEVPH-UHFFFAOYSA-N 0 0 441.525 1.238 50 0 IDAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 ZINC000003016145 562931658 /nfs/dbraw/zinc/93/16/58/562931658.db2.gz BSWWTYOCOKKKJJ-LJQANCHMSA-N 0 0 435.546 1.547 50 0 IDAARN CCOC(=O)NC(=O)c1cn(N(C)c2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O ZINC000003116924 562932526 /nfs/dbraw/zinc/93/25/26/562932526.db2.gz MMOOIYBJNFURFU-UHFFFAOYSA-N 0 0 435.746 1.390 50 0 IDAARN C[C@H]1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C[C@H](C)O1 ZINC000003261175 562933474 /nfs/dbraw/zinc/93/34/74/562933474.db2.gz LGILDKOVBIQHAN-IUCAKERBSA-N 0 0 425.290 1.433 50 0 IDAARN COc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(OC)c1OC ZINC000003315552 562934130 /nfs/dbraw/zinc/93/41/30/562934130.db2.gz MIGRMAQSSUONHD-UHFFFAOYSA-N 0 0 432.429 1.447 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000003355156 562934672 /nfs/dbraw/zinc/93/46/72/562934672.db2.gz NHDYICHERHHVOE-INIZCTEOSA-N 0 0 435.933 1.695 50 0 IDAARN Nc1c(N(CCO)C(=O)COc2ccc(Cl)cc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000003361130 562934825 /nfs/dbraw/zinc/93/48/25/562934825.db2.gz FNBRCVCVSZZGTH-UHFFFAOYSA-N 0 0 444.875 1.225 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1 ZINC000003363216 562934842 /nfs/dbraw/zinc/93/48/42/562934842.db2.gz XZPMIJKZHOUHKM-NSHDSACASA-N 0 0 425.488 1.004 50 0 IDAARN COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2sccc2C(N)=O)C(C)C)cc1 ZINC000003378394 562935067 /nfs/dbraw/zinc/93/50/67/562935067.db2.gz QGAWZMSMLKWAED-INIZCTEOSA-N 0 0 433.486 1.792 50 0 IDAARN Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)NC[C@H]1CCCO1 ZINC000003446559 562935980 /nfs/dbraw/zinc/93/59/80/562935980.db2.gz HJXBDACEGUNSHR-CYBMUJFWSA-N 0 0 442.339 1.721 50 0 IDAARN Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2c1=O ZINC000003609738 562936755 /nfs/dbraw/zinc/93/67/55/562936755.db2.gz KAQIXNBPMHXZRD-UHFFFAOYSA-N 0 0 446.916 1.734 50 0 IDAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1C ZINC000004165219 562942476 /nfs/dbraw/zinc/94/24/76/562942476.db2.gz DUBQOIFSALCGIN-MDZRGWNJSA-N 0 0 438.546 1.805 50 0 IDAARN COC(=O)[C@@H](C)[C@@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)N1CCOCC1 ZINC000004302010 562943051 /nfs/dbraw/zinc/94/30/51/562943051.db2.gz BGMDJXVXRCLPGC-COLVAYQJSA-N 0 0 426.263 1.736 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OCC)C3)cc2oc1=O ZINC000006577773 562947809 /nfs/dbraw/zinc/94/78/09/562947809.db2.gz PGKQFRKADHLXEG-ZDUSSCGKSA-N 0 0 440.474 1.121 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000007255540 562948675 /nfs/dbraw/zinc/94/86/75/562948675.db2.gz NMSIJMKFXSWEOR-ZDUSSCGKSA-N 0 0 425.507 1.256 50 0 IDAARN Cn1c2[nH]c(-c3ccccc3)c(-c3c(=O)[nH]c(=O)n(C)c3-n3cccc3)c2c(=O)[nH]c1=O ZINC000008586550 562950136 /nfs/dbraw/zinc/95/01/36/562950136.db2.gz LAYDMKPIPZUVGH-UHFFFAOYSA-N 0 0 430.424 1.067 50 0 IDAARN CCOC(=O)[C@H](C)Sc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1 ZINC000008589400 562951191 /nfs/dbraw/zinc/95/11/91/562951191.db2.gz QUAYQPICUJQWNS-ZDUSSCGKSA-N 0 0 435.531 1.689 50 0 IDAARN CCOC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)c(=O)n3C)cc1 ZINC000008591319 562951994 /nfs/dbraw/zinc/95/19/94/562951994.db2.gz HFMNJNXMJVKYGI-UHFFFAOYSA-N 0 0 431.470 1.523 50 0 IDAARN O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008601608 562955507 /nfs/dbraw/zinc/95/55/07/562955507.db2.gz AJYCAWLOPXJCIO-QGZVFWFLSA-N 0 0 447.488 1.382 50 0 IDAARN CC[C@@H](C)NC(=O)Cn1c2ccsc2c(=O)n(CC2CCC(C(=O)NC)CC2)c1=O ZINC000008605724 562956820 /nfs/dbraw/zinc/95/68/20/562956820.db2.gz FJKZWGPKEGXLEA-WLYUNCDWSA-N 0 0 434.562 1.692 50 0 IDAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000008670869 562960781 /nfs/dbraw/zinc/96/07/81/562960781.db2.gz WNKIAMMSXRHCFR-CYBMUJFWSA-N 0 0 435.531 1.572 50 0 IDAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2O1 ZINC000008878323 562965637 /nfs/dbraw/zinc/96/56/37/562965637.db2.gz AVRYCXOFHOCUBP-UHFFFAOYSA-N 0 0 448.497 1.521 50 0 biogenic IDAARN Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3ccccc3F)nc2n(C)c1=O ZINC000008902015 562965841 /nfs/dbraw/zinc/96/58/41/562965841.db2.gz BVLTUUIKMCQHKI-UHFFFAOYSA-N 0 0 443.504 1.938 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCCOCCOCC2)cc1 ZINC000009019067 562966638 /nfs/dbraw/zinc/96/66/38/562966638.db2.gz WDMGFORRILPKQD-FQEVSTJZSA-N 0 0 442.578 1.580 50 0 IDAARN COc1cc(/C=C/C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F ZINC000009247069 562968423 /nfs/dbraw/zinc/96/84/23/562968423.db2.gz UAZPQRRPVDRJIQ-BPJJOFIESA-N 0 0 433.429 1.499 50 0 IDAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000009284333 562968959 /nfs/dbraw/zinc/96/89/59/562968959.db2.gz JXZDQQAKNDPPKY-AWEZNQCLSA-N 0 0 443.481 1.888 50 0 IDAARN COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000009396906 562969911 /nfs/dbraw/zinc/96/99/11/562969911.db2.gz ZXSJIGLVJCCNOW-HNNXBMFYSA-N 0 0 445.541 1.930 50 0 IDAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000009396858 562969929 /nfs/dbraw/zinc/96/99/29/562969929.db2.gz UWBLXGWSWBZFKN-OAHLLOKOSA-N 0 0 445.541 1.930 50 0 IDAARN COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000009396905 562969930 /nfs/dbraw/zinc/96/99/30/562969930.db2.gz ZXSJIGLVJCCNOW-OAHLLOKOSA-N 0 0 445.541 1.930 50 0 IDAARN O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1cccnc1 ZINC000009410659 562970354 /nfs/dbraw/zinc/97/03/54/562970354.db2.gz MPGUKGMKCVIWQF-UHFFFAOYSA-N 0 0 448.520 1.444 50 0 IDAARN COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)C1 ZINC000009429542 562970539 /nfs/dbraw/zinc/97/05/39/562970539.db2.gz XBDLVJDWYHIRAI-WBVHZDCISA-N 0 0 449.573 1.538 50 0 IDAARN COc1ccc(/C=C2\SC(=O)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000009429837 562970609 /nfs/dbraw/zinc/97/06/09/562970609.db2.gz HISNUMGDGYSLQC-VQCBNXJZSA-N 0 0 438.527 1.767 50 0 IDAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1nnc2ccc(N3CCCC3)nn21 ZINC000009430983 562970672 /nfs/dbraw/zinc/97/06/72/562970672.db2.gz ICSYARZJSZDETI-GOSISDBHSA-N 0 0 436.516 1.948 50 0 IDAARN CC(C)n1c2sc3c(c2c(=O)n(CC(=O)NC[C@@H]2CCCO2)c1=O)CC(C)(C)OC3 ZINC000009435264 562970982 /nfs/dbraw/zinc/97/09/82/562970982.db2.gz UPLITUUXYVLJNK-ZDUSSCGKSA-N 0 0 435.546 1.952 50 0 IDAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000009466936 562971724 /nfs/dbraw/zinc/97/17/24/562971724.db2.gz OEHOPHNJQFJONC-MLGOLLRUSA-N 0 0 445.588 1.576 50 0 IDAARN COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)c1 ZINC000009508776 562972540 /nfs/dbraw/zinc/97/25/40/562972540.db2.gz FTSOVGNHJFJHLK-UHFFFAOYSA-N 0 0 447.513 1.809 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)[C@H]1COc2ccccc2O1 ZINC000009539479 562973035 /nfs/dbraw/zinc/97/30/35/562973035.db2.gz ZBVAFAVRNLLUIC-GOSISDBHSA-N 0 0 434.470 1.567 50 0 IDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1 ZINC000009600531 562973916 /nfs/dbraw/zinc/97/39/16/562973916.db2.gz VTALHWPVTWTCLB-AWEZNQCLSA-N 0 0 443.934 1.181 50 0 IDAARN COc1ccc(O)c(C(=O)c2cnn(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)c1 ZINC000009613225 562974271 /nfs/dbraw/zinc/97/42/71/562974271.db2.gz RSMHLUQWKDDYOU-UHFFFAOYSA-N 0 0 429.454 1.767 50 0 IDAARN O=C(NC[C@H]1COc2ccccc2O1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000009632380 562974442 /nfs/dbraw/zinc/97/44/42/562974442.db2.gz JOUQKCVSLUPYEZ-AWEZNQCLSA-N 0 0 436.461 1.416 50 0 IDAARN CCc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000009632781 562974463 /nfs/dbraw/zinc/97/44/63/562974463.db2.gz TUSPAGQRVFVHCO-UHFFFAOYSA-N 0 0 426.520 1.311 50 0 IDAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)NC1CC1 ZINC000009633219 562974596 /nfs/dbraw/zinc/97/45/96/562974596.db2.gz XDTPZPXPMQEYRK-UHFFFAOYSA-N 0 0 437.301 1.450 50 0 IDAARN Cn1cnnc1SCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009662476 562974828 /nfs/dbraw/zinc/97/48/28/562974828.db2.gz ZTVNNROFHXPGJN-UHFFFAOYSA-N 0 0 431.927 1.220 50 0 IDAARN CC(C)CC[C@@]1(C)NC(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000009672018 562975171 /nfs/dbraw/zinc/97/51/71/562975171.db2.gz ZFVAHYWWDGURJI-LJQANCHMSA-N 0 0 428.411 1.905 50 0 IDAARN Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1S(=O)(=O)N(C)C ZINC000009689713 562975575 /nfs/dbraw/zinc/97/55/75/562975575.db2.gz NRGZKAXAPVPRFR-UHFFFAOYSA-N 0 0 439.534 1.424 50 0 IDAARN O=S(=O)(c1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 ZINC000009708509 562975688 /nfs/dbraw/zinc/97/56/88/562975688.db2.gz HJGOYBQQYMRCFC-UHFFFAOYSA-N 0 0 428.557 1.950 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cccnc1 ZINC000009715268 562975890 /nfs/dbraw/zinc/97/58/90/562975890.db2.gz NSDBIQJWISMAOR-GOSISDBHSA-N 0 0 448.520 1.587 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c(=O)n(C)c1=O ZINC000009715404 562975998 /nfs/dbraw/zinc/97/59/98/562975998.db2.gz HRPBTEXCKFWRKR-UHFFFAOYSA-N 0 0 432.412 1.474 50 0 IDAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000009724633 562976135 /nfs/dbraw/zinc/97/61/35/562976135.db2.gz IWLJLWJTTFKYKA-BEFAXECRSA-N 0 0 447.557 1.868 50 0 IDAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000009724641 562976140 /nfs/dbraw/zinc/97/61/40/562976140.db2.gz IWLJLWJTTFKYKA-DNVCBOLYSA-N 0 0 447.557 1.868 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)cc1 ZINC000009739514 562976241 /nfs/dbraw/zinc/97/62/41/562976241.db2.gz ZFWKDWBNETWSPS-UHFFFAOYSA-N 0 0 429.542 1.956 50 0 IDAARN O=C(OCc1nc2ccsc2c(=O)[nH]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009742430 562976355 /nfs/dbraw/zinc/97/63/55/562976355.db2.gz PWGRKAHKFWQADY-UHFFFAOYSA-N 0 0 435.483 1.363 50 0 IDAARN NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000009742529 562976369 /nfs/dbraw/zinc/97/63/69/562976369.db2.gz DNCPNNOQBDKXBQ-QGZVFWFLSA-N 0 0 445.903 1.834 50 0 IDAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000009797014 562976976 /nfs/dbraw/zinc/97/69/76/562976976.db2.gz AJMNAXACAUWTPC-JOCHJYFZSA-N 0 0 440.525 1.808 50 0 IDAARN Cc1ccc(NC(=O)CSc2nnnn2C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000009821582 562977220 /nfs/dbraw/zinc/97/72/20/562977220.db2.gz HHCWOUWLCYXILR-UHFFFAOYSA-N 0 0 438.535 1.068 50 0 IDAARN O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000009857501 562977421 /nfs/dbraw/zinc/97/74/21/562977421.db2.gz VUAIOKYIBFRYIM-UHFFFAOYSA-N 0 0 436.403 1.585 50 0 IDAARN Cc1ccc(C)c(OCCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000010022178 562978350 /nfs/dbraw/zinc/97/83/50/562978350.db2.gz OFCLQBNLPZSUDI-UHFFFAOYSA-N 0 0 434.514 1.622 50 0 IDAARN CCOC(=O)C1=C(COC(=O)COc2ccc(Br)cc2)NC(=O)N[C@H]1C ZINC000012880161 562983392 /nfs/dbraw/zinc/98/33/92/562983392.db2.gz KNZOVLXPLIDGJJ-JTQLQIEISA-N 0 0 427.251 1.890 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000012941396 562983517 /nfs/dbraw/zinc/98/35/17/562983517.db2.gz GIBCDUQRJRUDQA-MRXNPFEDSA-N 0 0 433.486 1.270 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000013000247 562983876 /nfs/dbraw/zinc/98/38/76/562983876.db2.gz VXFDTTLXJUWSCU-IBGZPJMESA-N 0 0 444.575 1.567 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)CN2c3ccccc3C[C@H]2C)c(=O)[nH]c1=O ZINC000013660960 562999532 /nfs/dbraw/zinc/99/95/32/562999532.db2.gz OFZCJBNIEPNVSY-OAHLLOKOSA-N 0 0 429.521 1.350 50 0 IDAARN CC[C@H](C)N(C(=O)CSc1nnnn1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000015227039 563017805 /nfs/dbraw/zinc/01/78/05/563017805.db2.gz OQFIJYBEQYFDFG-KBPBESRZSA-N 0 0 439.563 1.577 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000015614980 563017943 /nfs/dbraw/zinc/01/79/43/563017943.db2.gz NUSZIZAIFCIXLV-CYBMUJFWSA-N 0 0 447.351 1.919 50 0 IDAARN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000015879211 563018087 /nfs/dbraw/zinc/01/80/87/563018087.db2.gz ZKRNZDOISFJZAW-UHFFFAOYSA-N 0 0 430.486 1.949 50 0 IDAARN Cc1c2cnn(CC(=O)NCCN3CCOCC3)c(=O)c2c(C)n1Cc1ccc(F)cc1 ZINC000015941273 563019401 /nfs/dbraw/zinc/01/94/01/563019401.db2.gz OYVIZBVJEFCWOO-UHFFFAOYSA-N 0 0 441.507 1.451 50 0 IDAARN O=C(COc1ccc(Br)cc1Br)N[C@@H]1CCS(=O)(=O)C1 ZINC000016049511 563020788 /nfs/dbraw/zinc/02/07/88/563020788.db2.gz ICQOBUWCNFQEDY-SECBINFHSA-N 0 0 427.114 1.894 50 0 IDAARN O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)N1CCOCC1 ZINC000020107574 563023546 /nfs/dbraw/zinc/02/35/46/563023546.db2.gz ITRDTLGWTLQNDV-UHFFFAOYSA-N 0 0 426.608 1.006 50 0 IDAARN CCN1CCN(C(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc32)CC1 ZINC000020107281 563023575 /nfs/dbraw/zinc/02/35/75/563023575.db2.gz KLSVNLODXAFNCH-UHFFFAOYSA-N 0 0 449.511 1.288 50 0 IDAARN C[C@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288234 563024348 /nfs/dbraw/zinc/02/43/48/563024348.db2.gz ONSRSVXXFYQFPE-RXVVDRJESA-N 0 0 442.585 1.975 50 0 IDAARN C[C@H](NC(=O)C(=O)N1CCOCC1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288229 563024375 /nfs/dbraw/zinc/02/43/75/563024375.db2.gz ONSRSVXXFYQFPE-GHTZIAJQSA-N 0 0 442.585 1.975 50 0 IDAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000036135204 563091267 /nfs/dbraw/zinc/09/12/67/563091267.db2.gz RALDGVSPWXCGOJ-UHFFFAOYSA-N 0 0 448.501 1.322 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)c1 ZINC000036372492 563093451 /nfs/dbraw/zinc/09/34/51/563093451.db2.gz YXLYEBXIFRLICH-UHFFFAOYSA-N 0 0 434.518 1.229 50 0 IDAARN O=C(CN1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1 ZINC000036385059 563094376 /nfs/dbraw/zinc/09/43/76/563094376.db2.gz QEZGHTPSZRKTLL-UHFFFAOYSA-N 0 0 442.447 1.067 50 0 IDAARN COc1ccc(CNC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000036385506 563094459 /nfs/dbraw/zinc/09/44/59/563094459.db2.gz VSGVAFJCJWKKAW-INIZCTEOSA-N 0 0 435.521 1.846 50 0 IDAARN COCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000057120609 563143107 /nfs/dbraw/zinc/14/31/07/563143107.db2.gz GIUQCUASWMZPDG-UHFFFAOYSA-N 0 0 446.939 1.056 50 0 IDAARN CCCN(CCC)C(=O)CCc1nc(-c2nn(-c3ccc(C)cc3)c(=O)n(C)c2=O)no1 ZINC000032995598 568614480 /nfs/dbraw/zinc/61/44/80/568614480.db2.gz WYQNYEKOEKZPGX-UHFFFAOYSA-N 0 0 440.504 1.871 50 0 IDAARN COC(=O)c1sccc1NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000025088549 568636041 /nfs/dbraw/zinc/63/60/41/568636041.db2.gz OCUSTMPEEVGPAB-UHFFFAOYSA-N 0 0 433.515 1.954 50 0 IDAARN COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)C1 ZINC000019076869 568636955 /nfs/dbraw/zinc/63/69/55/568636955.db2.gz KYNUNUWZBYWGBH-TZMCWYRMSA-N 0 0 438.531 1.256 50 0 IDAARN Cn1c2ncn(C[C@@H](O)Cn3c4ccccc4nc3Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000000952710 568645738 /nfs/dbraw/zinc/64/57/38/568645738.db2.gz RMLXWCATAFKYHX-QGZVFWFLSA-N 0 0 444.495 1.435 50 0 biogenic IDAARN Cn1ccnc1C(=O)c1cc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 ZINC000005981468 568739904 /nfs/dbraw/zinc/73/99/04/568739904.db2.gz WRCQRWVKRWOISF-CYBMUJFWSA-N 0 0 444.538 1.595 50 0 IDAARN O=S(=O)(c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1)N1CCOCC1 ZINC000003220708 568743191 /nfs/dbraw/zinc/74/31/91/568743191.db2.gz ZEYDHTITVRNHLZ-UHFFFAOYSA-N 0 0 435.527 1.923 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1 ZINC000003272471 568744748 /nfs/dbraw/zinc/74/47/48/568744748.db2.gz BAFNFFMBCCOADN-UHFFFAOYSA-N 0 0 427.276 1.821 50 0 IDAARN O=C(CCn1cnc2ccccc2c1=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000043972842 568744816 /nfs/dbraw/zinc/74/48/16/568744816.db2.gz PGVGDYULULEOEB-UHFFFAOYSA-N 0 0 433.443 1.966 50 0 IDAARN CCN(C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)[C@@H]1CCS(=O)(=O)C1 ZINC000003376714 568748280 /nfs/dbraw/zinc/74/82/80/568748280.db2.gz GGURNLJGYJSXSQ-BFUOFWGJSA-N 0 0 438.527 1.194 50 0 IDAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000003415771 568748744 /nfs/dbraw/zinc/74/87/44/568748744.db2.gz MLMDKJZCKMIELP-UHFFFAOYSA-N 0 0 447.513 1.427 50 0 IDAARN Cn1c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2ccccc21 ZINC000044213657 568749817 /nfs/dbraw/zinc/74/98/17/568749817.db2.gz LJGKTPZTDNMDBD-UHFFFAOYSA-N 0 0 428.514 1.851 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccncc1 ZINC000003641216 568752381 /nfs/dbraw/zinc/75/23/81/568752381.db2.gz PXSMLEKVUSVFPK-SFHVURJKSA-N 0 0 449.320 1.200 50 0 IDAARN COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(N)=O ZINC000003659280 568752825 /nfs/dbraw/zinc/75/28/25/568752825.db2.gz YKYNTEVLWUBRTH-SXGWCWSVSA-N 0 0 438.440 1.399 50 0 IDAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccc(C(N)=O)cc1 ZINC000059010211 568760124 /nfs/dbraw/zinc/76/01/24/568760124.db2.gz DQQGHHKIGKYUAZ-GOSISDBHSA-N 0 0 442.468 1.871 50 0 IDAARN Cc1c(C)[n+]([O-])c([C@H](c2ccc3c(c2)n(C)c(=O)n3C)C2C(=O)OC(C)(C)OC2=O)n1C ZINC000263587482 568760584 /nfs/dbraw/zinc/76/05/84/568760584.db2.gz HKKXGHSEBVZWTG-MRXNPFEDSA-N 0 0 442.472 1.050 50 0 IDAARN O=C(NC[C@@H]1CCCO1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263616720 568776776 /nfs/dbraw/zinc/77/67/76/568776776.db2.gz KEVCUGSIJYLERT-UGKGYDQZSA-N 0 0 440.548 1.992 50 0 IDAARN O=C(NC[C@@H]1CCCO1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000263616719 568776808 /nfs/dbraw/zinc/77/68/08/568776808.db2.gz KEVCUGSIJYLERT-SIKLNZKXSA-N 0 0 440.548 1.992 50 0 IDAARN COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)c5ccccn5)CC4)c3CO2)cc1 ZINC000263616809 568776916 /nfs/dbraw/zinc/77/69/16/568776916.db2.gz KRFLZLIEPGRBTM-QFIPXVFZSA-N 0 0 434.500 1.911 50 0 IDAARN NS(=O)(=O)c1ccc(CCN[C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263617519 568777330 /nfs/dbraw/zinc/77/73/30/568777330.db2.gz OEDCDBRDPDDVKH-LJQANCHMSA-N 0 0 429.477 1.411 50 0 IDAARN CCOC(=O)CN1c2ccccc2[C@]2(C1=O)C(C(=O)OC)=C(C)OC(N)=C2C(=O)OCC ZINC000001322833 568780186 /nfs/dbraw/zinc/78/01/86/568780186.db2.gz RNNJVLPCVHVSMJ-QFIPXVFZSA-N 0 0 444.440 1.045 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 ZINC000001427025 568793959 /nfs/dbraw/zinc/79/39/59/568793959.db2.gz SQEHVYMHRASKGO-LJQANCHMSA-N 0 0 426.498 1.701 50 0 IDAARN O=C(COc1nsnc1N1CCOCC1)Nc1ccc(I)cc1 ZINC000001429445 568794311 /nfs/dbraw/zinc/79/43/11/568794311.db2.gz VNXUYJGAJTXNAO-UHFFFAOYSA-N 0 0 446.270 1.997 50 0 IDAARN COc1cccc(C(=O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000001429300 568794426 /nfs/dbraw/zinc/79/44/26/568794426.db2.gz YHMZWDZDJDMSOO-UHFFFAOYSA-N 0 0 425.489 1.562 50 0 IDAARN CCN(CCO)C(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(C)C ZINC000084774005 568801228 /nfs/dbraw/zinc/80/12/28/568801228.db2.gz DJDYJAKKBFJVAM-SFHVURJKSA-N 0 0 427.567 1.312 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000015674824 568803461 /nfs/dbraw/zinc/80/34/61/568803461.db2.gz WAOBWZZNSZLTOA-UHFFFAOYSA-N 0 0 432.546 1.004 50 0 IDAARN COc1ccc(CNC(=O)C2=CC(c3ccc4c(c3)OCO4)=NS(=O)(=O)N2C)cc1 ZINC000015673559 568803491 /nfs/dbraw/zinc/80/34/91/568803491.db2.gz FEUKUKZSFPZYME-UHFFFAOYSA-N 0 0 429.454 1.604 50 0 IDAARN CN1C(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)=CC(c2ccco2)=NS1(=O)=O ZINC000015673661 568803534 /nfs/dbraw/zinc/80/35/34/568803534.db2.gz MEVKRBSWCMNEAZ-UHFFFAOYSA-N 0 0 434.499 1.821 50 0 IDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1ccccn1 ZINC000015678538 568805259 /nfs/dbraw/zinc/80/52/59/568805259.db2.gz YGNGVHXSXUSAHV-UHFFFAOYSA-N 0 0 448.526 1.180 50 0 IDAARN CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000015678600 568805364 /nfs/dbraw/zinc/80/53/64/568805364.db2.gz TZGVGOSQPFPEHV-UHFFFAOYSA-N 0 0 429.454 1.194 50 0 IDAARN Cc1cc(C)cc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000015680253 568806143 /nfs/dbraw/zinc/80/61/43/568806143.db2.gz ITCZGKRJNGZHJW-JOCHJYFZSA-N 0 0 429.542 1.987 50 0 IDAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015731555 568814303 /nfs/dbraw/zinc/81/43/03/568814303.db2.gz FFBDPNVRQNUUTO-UHFFFAOYSA-N 0 0 443.525 1.913 50 0 IDAARN COc1cc(OC)c(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1Cl ZINC000015767283 568821436 /nfs/dbraw/zinc/82/14/36/568821436.db2.gz UMPNCWCCFKZMHV-UHFFFAOYSA-N 0 0 444.897 1.213 50 0 IDAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCN(c4ccccc4F)CC3)cn2)CC1 ZINC000015767132 568821571 /nfs/dbraw/zinc/82/15/71/568821571.db2.gz WVTYZCVAHJWQMH-UHFFFAOYSA-N 0 0 449.552 1.792 50 0 IDAARN O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(Br)cc1F ZINC000015767373 568821759 /nfs/dbraw/zinc/82/17/59/568821759.db2.gz ASQWKUMMZQYNAW-UHFFFAOYSA-N 0 0 447.286 1.444 50 0 IDAARN COc1cc(Cl)c(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)c(OC)c1 ZINC000015767631 568821870 /nfs/dbraw/zinc/82/18/70/568821870.db2.gz VFSNJGQVSWLRPR-UHFFFAOYSA-N 0 0 444.897 1.213 50 0 IDAARN O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000015772580 568822841 /nfs/dbraw/zinc/82/28/41/568822841.db2.gz LSNPVYZPTIFXNI-UHFFFAOYSA-N 0 0 428.496 1.902 50 0 IDAARN COc1cccc(NC(=O)N2CCC(N3CCN(Cc4ccccn4)C(=O)C3=O)CC2)c1 ZINC000015774579 568823250 /nfs/dbraw/zinc/82/32/50/568823250.db2.gz QATQQXJIMNHHJW-UHFFFAOYSA-N 0 0 437.500 1.958 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@@H]1C(=O)N1CCC(C)CC1 ZINC000015775715 568823468 /nfs/dbraw/zinc/82/34/68/568823468.db2.gz HKWVTDCLZSRKCB-HXUWFJFHSA-N 0 0 435.546 1.244 50 0 IDAARN Cc1nn(CCC(=O)N2CCc3ccccc3C2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000015777546 568824698 /nfs/dbraw/zinc/82/46/98/568824698.db2.gz LDOQORQKFWXQDX-UHFFFAOYSA-N 0 0 432.546 1.496 50 0 IDAARN CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)ccc21 ZINC000015784268 568827210 /nfs/dbraw/zinc/82/72/10/568827210.db2.gz DPSBSLPJCAQEAO-UHFFFAOYSA-N 0 0 448.589 1.510 50 0 IDAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1 ZINC000085651749 568831468 /nfs/dbraw/zinc/83/14/68/568831468.db2.gz ZSYYVCOHCYVYOF-CQSZACIVSA-N 0 0 439.559 1.485 50 0 IDAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3)ccc21)N1CCOCC1 ZINC000085651850 568831631 /nfs/dbraw/zinc/83/16/31/568831631.db2.gz GSTBGIXWQIEDJR-UHFFFAOYSA-N 0 0 447.538 1.400 50 0 IDAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCOCC1 ZINC000085651852 568831677 /nfs/dbraw/zinc/83/16/77/568831677.db2.gz VRBPMJCAHLCRIH-UHFFFAOYSA-N 0 0 425.532 1.096 50 0 IDAARN C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)C1=O ZINC000019821112 568836843 /nfs/dbraw/zinc/83/68/43/568836843.db2.gz STDPNEGAYYCYAB-QGZVFWFLSA-N 0 0 427.526 1.957 50 0 IDAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000001515046 568839400 /nfs/dbraw/zinc/83/94/00/568839400.db2.gz RKVSOILKCNMCED-GOSISDBHSA-N 0 0 433.917 1.978 50 0 IDAARN COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000015822230 568840038 /nfs/dbraw/zinc/84/00/38/568840038.db2.gz FUIDNGGSQSCDGW-UHFFFAOYSA-N 0 0 433.486 1.902 50 0 IDAARN CCCCn1c(SCC(=O)Nc2ccccc2OC)nc2c1c(=O)n(C)c(=O)n2C ZINC000006162151 568848892 /nfs/dbraw/zinc/84/88/92/568848892.db2.gz OIZZYDRCOIJOSJ-UHFFFAOYSA-N 0 0 431.518 1.973 50 0 IDAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CC2)C1 ZINC000015866018 568850698 /nfs/dbraw/zinc/85/06/98/568850698.db2.gz PRYGVKSZUAUZEM-HNNXBMFYSA-N 0 0 425.551 1.981 50 0 IDAARN Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)NCCN1CCOCC1 ZINC000015879096 568853585 /nfs/dbraw/zinc/85/35/85/568853585.db2.gz HJUJWLSJMSFZDE-UHFFFAOYSA-N 0 0 441.937 1.667 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000015881636 568855906 /nfs/dbraw/zinc/85/59/06/568855906.db2.gz MTKKLBWJZYTZAB-UHFFFAOYSA-N 0 0 431.514 1.460 50 0 IDAARN O=S(=O)(c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000015884134 568858081 /nfs/dbraw/zinc/85/80/81/568858081.db2.gz RVMLHBWOCNLBDB-UHFFFAOYSA-N 0 0 439.476 1.861 50 0 IDAARN O=S(=O)(c1ccccc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000015884152 568858109 /nfs/dbraw/zinc/85/81/09/568858109.db2.gz KLBKSBFEIXIUOJ-UHFFFAOYSA-N 0 0 439.476 1.861 50 0 IDAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000015894344 568858354 /nfs/dbraw/zinc/85/83/54/568858354.db2.gz MQPFAAHFXWNQNJ-PKOBYXMFSA-N 0 0 441.553 1.895 50 0 biogenic IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968487 568861175 /nfs/dbraw/zinc/86/11/75/568861175.db2.gz TYWOLZGGOZTIIF-SZAHKIGCSA-N 0 0 433.508 1.593 50 0 biogenic IDAARN C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016032932 568867583 /nfs/dbraw/zinc/86/75/83/568867583.db2.gz OKERUZQAHHXNIF-NNYLJVSSSA-N 0 0 439.899 1.684 50 0 biogenic IDAARN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000012952317 568872316 /nfs/dbraw/zinc/87/23/16/568872316.db2.gz OBRWUFVLRVJMFB-UHFFFAOYSA-N 0 0 446.485 1.997 50 0 IDAARN CS(=O)(=O)N1CCCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000026208695 568875733 /nfs/dbraw/zinc/87/57/33/568875733.db2.gz KTZBWOPPGXATHI-UHFFFAOYSA-N 0 0 432.340 1.063 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)NCc3nc(N(C)C)nc(N4CCCC4)n3)CC2=O)cc1C ZINC000575607444 568877992 /nfs/dbraw/zinc/87/79/92/568877992.db2.gz UCAFWLCPRPKHKU-QGZVFWFLSA-N 0 0 437.548 1.824 50 0 IDAARN O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1Br ZINC000040446119 568878213 /nfs/dbraw/zinc/87/82/13/568878213.db2.gz MPMGTABSZZLUHJ-QMMMGPOBSA-N 0 0 447.170 1.925 50 0 IDAARN CN(C)c1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(N2CCOCC2)n1 ZINC000575608515 568878420 /nfs/dbraw/zinc/87/84/20/568878420.db2.gz UYSFSJUTZIVEOX-UHFFFAOYSA-N 0 0 446.455 1.272 50 0 IDAARN Cc1nnc2c(N3CC[C@@H](NC(=O)[C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)C3)nccn12 ZINC000575608405 568878472 /nfs/dbraw/zinc/87/84/72/568878472.db2.gz SLDYDUVHKWUFBX-ZWKOTPCHSA-N 0 0 433.516 1.798 50 0 IDAARN CN1c2cc(F)c(NC(=O)CCS(=O)(=O)c3ccccc3)cc2N(C)S1(=O)=O ZINC000575612112 568879174 /nfs/dbraw/zinc/87/91/74/568879174.db2.gz KQLLLGMNOWPXOT-UHFFFAOYSA-N 0 0 427.479 1.759 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1 ZINC000575612705 568879651 /nfs/dbraw/zinc/87/96/51/568879651.db2.gz NYCIENPTBJEYAP-QFIPXVFZSA-N 0 0 432.542 1.981 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O ZINC000575613943 568879982 /nfs/dbraw/zinc/87/99/82/568879982.db2.gz YSALOETZBIMINY-UHFFFAOYSA-N 0 0 429.495 1.622 50 0 IDAARN Cn1c(=O)n(C2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nc1C(F)(F)F ZINC000575616091 568881444 /nfs/dbraw/zinc/88/14/44/568881444.db2.gz WEJOOXUUJBCECC-UHFFFAOYSA-N 0 0 436.394 1.174 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)cn1C ZINC000035478384 568882512 /nfs/dbraw/zinc/88/25/12/568882512.db2.gz SKMGRMASDJUUNJ-HNNXBMFYSA-N 0 0 449.485 1.722 50 0 IDAARN CCn1c2nnc(CCC(=O)N3CCN(c4ccccn4)CC3)n2c2ccsc2c1=O ZINC000035478643 568882722 /nfs/dbraw/zinc/88/27/22/568882722.db2.gz WHIHZFIGGYGQHO-UHFFFAOYSA-N 0 0 437.529 1.802 50 0 IDAARN COc1cccc(CNC(=O)CNC(=O)CSc2nc3ccccc3c3nnnn32)c1 ZINC000170621852 568883962 /nfs/dbraw/zinc/88/39/62/568883962.db2.gz DVLYARIZXJZBDS-UHFFFAOYSA-N 0 0 437.485 1.206 50 0 IDAARN COc1cccc(CNC(=O)C[C@@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)c1 ZINC000102420554 568884807 /nfs/dbraw/zinc/88/48/07/568884807.db2.gz VRVNUNWXBZTQOF-SFHVURJKSA-N 0 0 448.479 1.346 50 0 IDAARN C[C@@H]1CN(c2ccccc2NC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000229832617 568887009 /nfs/dbraw/zinc/88/70/09/568887009.db2.gz APBUAPMFJPLGFK-XHSDSOJGSA-N 0 0 438.550 1.115 50 0 IDAARN O=C(c1ccco1)N1CCN(c2nc3nc(=O)n(Cc4ccccc4)c(=O)c-3c[nH]2)CC1 ZINC000090591692 568888477 /nfs/dbraw/zinc/88/84/77/568888477.db2.gz FSQHBDBCEZGQEV-UHFFFAOYSA-N 0 0 432.440 1.084 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000012975404 568890167 /nfs/dbraw/zinc/89/01/67/568890167.db2.gz SJGHVPKUNUVBFU-QGZVFWFLSA-N 0 0 435.546 1.177 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3ccccc3OCC)c(=O)c2=O)CC1 ZINC000090610119 568891869 /nfs/dbraw/zinc/89/18/69/568891869.db2.gz LERFNJANQPSQML-UHFFFAOYSA-N 0 0 444.488 1.135 50 0 IDAARN Nc1c(N(CCO)Cc2cccc(Br)c2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000012987390 568895091 /nfs/dbraw/zinc/89/50/91/568895091.db2.gz MSOOAFSNKAAICJ-UHFFFAOYSA-N 0 0 445.317 1.929 50 0 IDAARN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012984086 568895519 /nfs/dbraw/zinc/89/55/19/568895519.db2.gz FYOUJMWWDWDTSH-QWHCGFSZSA-N 0 0 449.460 1.396 50 0 IDAARN CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000013001975 568898362 /nfs/dbraw/zinc/89/83/62/568898362.db2.gz OUQPAWMZAQJBGL-QMMMGPOBSA-N 0 0 429.451 1.078 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)ccc1Cl ZINC000013010929 568900095 /nfs/dbraw/zinc/90/00/95/568900095.db2.gz SBQWNJRGOLAJIE-QMMMGPOBSA-N 0 0 445.906 1.593 50 0 IDAARN CCCn1c(N)c(Br)c(=O)n(CC(=O)Nc2ccc(NC(C)=O)cc2)c1=O ZINC000013016704 568901617 /nfs/dbraw/zinc/90/16/17/568901617.db2.gz CIPULLRTTLUEMM-UHFFFAOYSA-N 0 0 438.282 1.362 50 0 IDAARN COC(=O)c1cn(-c2ccc(Cl)c(C(=O)N3CCN(C)CC3)c2)cc2c(=O)[nH]nc1-2 ZINC000253414468 568903352 /nfs/dbraw/zinc/90/33/52/568903352.db2.gz XOGFJQUFGDUZGU-UHFFFAOYSA-N 0 0 429.864 1.493 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000253414850 568903390 /nfs/dbraw/zinc/90/33/90/568903390.db2.gz YUULPKULCUMACG-KRWDZBQOSA-N 0 0 444.513 1.149 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 ZINC000524729070 568903609 /nfs/dbraw/zinc/90/36/09/568903609.db2.gz BMMJPIJFAFIPGM-FYQPLNBISA-N 0 0 438.528 1.399 50 0 biogenic IDAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2ccc(OCc3nccn3C)cc2)C1=O ZINC000253623950 568904210 /nfs/dbraw/zinc/90/42/10/568904210.db2.gz VLPBMJJVFXASBX-AWEZNQCLSA-N 0 0 426.429 1.599 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)c2ccc(F)cc2)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000006444634 568907288 /nfs/dbraw/zinc/90/72/88/568907288.db2.gz CKWUAJRHTHOOCQ-MRXNPFEDSA-N 0 0 439.447 1.659 50 0 IDAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)C(C)C)cc1 ZINC000240756973 568911827 /nfs/dbraw/zinc/91/18/27/568911827.db2.gz HVSCCXLPZWQVBW-ZWWNWMABSA-N 0 0 430.505 1.286 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)C2)c(=O)[nH]c1=O ZINC000242183891 568912586 /nfs/dbraw/zinc/91/25/86/568912586.db2.gz XCTBDAMNTWAMOW-ZJIFWQFVSA-N 0 0 433.553 1.967 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000245255223 568913660 /nfs/dbraw/zinc/91/36/60/568913660.db2.gz GEUADDACMQBGLF-JYJNAYRXSA-N 0 0 444.575 1.083 50 0 IDAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CCOCC3)CC2)cc1 ZINC000245256302 568914012 /nfs/dbraw/zinc/91/40/12/568914012.db2.gz OHINISDXECQGMA-IYARVYRRSA-N 0 0 437.562 1.055 50 0 IDAARN CCCCNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000245256873 568914181 /nfs/dbraw/zinc/91/41/81/568914181.db2.gz UMQIEIRKFXRYNA-WKILWMFISA-N 0 0 427.542 1.943 50 0 IDAARN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000245257435 568914363 /nfs/dbraw/zinc/91/43/63/568914363.db2.gz ZUCFXFUGGHQVNO-ULQDDVLXSA-N 0 0 428.576 1.383 50 0 IDAARN CC(C)CNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000245311986 568914456 /nfs/dbraw/zinc/91/44/56/568914456.db2.gz RIZGEOSPNTUPQG-WKILWMFISA-N 0 0 427.542 1.799 50 0 IDAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)ccc21 ZINC000026832191 568917643 /nfs/dbraw/zinc/91/76/43/568917643.db2.gz ROGSYYPLWJNKLY-UHFFFAOYSA-N 0 0 437.424 1.556 50 0 IDAARN Cn1c(SCC(=O)N2CCC(C(N)=O)CC2)nnc1-c1sc2ncccc2c1N ZINC000064370053 568920023 /nfs/dbraw/zinc/92/00/23/568920023.db2.gz UBPYSFOBWATHAL-UHFFFAOYSA-N 0 0 431.547 1.490 50 0 IDAARN CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000089323125 568920945 /nfs/dbraw/zinc/92/09/45/568920945.db2.gz GHMYWWHHFOYPAQ-UHFFFAOYSA-N 0 0 431.514 1.671 50 0 IDAARN COCCNC(=O)c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O ZINC000035781560 568922720 /nfs/dbraw/zinc/92/27/20/568922720.db2.gz SYXHQCVAWIAVOM-UHFFFAOYSA-N 0 0 425.411 1.492 50 0 IDAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CCCC1 ZINC000089448738 568925226 /nfs/dbraw/zinc/92/52/26/568925226.db2.gz RDBSDFZYKCSDJH-CQSZACIVSA-N 0 0 440.518 1.507 50 0 IDAARN CCc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NCc4cccnc4)cc32)no1 ZINC000064450630 568928630 /nfs/dbraw/zinc/92/86/30/568928630.db2.gz JXUWNKHQRHVGJY-UHFFFAOYSA-N 0 0 429.458 1.431 50 0 IDAARN CC(C)CN(C(=O)CN(C)C(=O)CC1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000006529455 568929603 /nfs/dbraw/zinc/92/96/03/568929603.db2.gz MQEUSLHTNGSTGZ-UHFFFAOYSA-N 0 0 435.569 1.803 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000006552936 568931110 /nfs/dbraw/zinc/93/11/10/568931110.db2.gz BQJJEDYSYXCXTR-RCDICMHDSA-N 0 0 425.489 1.924 50 0 IDAARN CCCC(=O)Nc1cc2c(cc1N1CCC(C(=O)OCC)CC1)n(C)c(=O)c(=O)n2C ZINC000064526173 568931208 /nfs/dbraw/zinc/93/12/08/568931208.db2.gz KKLIBKAUAYCQFH-UHFFFAOYSA-N 0 0 430.505 1.755 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000006552935 568931253 /nfs/dbraw/zinc/93/12/53/568931253.db2.gz BQJJEDYSYXCXTR-FPTDNZKUSA-N 0 0 425.489 1.924 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000013101518 568931580 /nfs/dbraw/zinc/93/15/80/568931580.db2.gz GBAONQLKVHWHPH-LJQANCHMSA-N 0 0 446.481 1.436 50 0 IDAARN O=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)N1CCCCC1 ZINC000016689914 568938361 /nfs/dbraw/zinc/93/83/61/568938361.db2.gz BWGHYSBMVRSPFI-UHFFFAOYSA-N 0 0 429.473 1.582 50 0 IDAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000016695076 568938934 /nfs/dbraw/zinc/93/89/34/568938934.db2.gz SQTOYNZHPWFUFT-SIKLNZKXSA-N 0 0 449.507 1.546 50 0 IDAARN COC(=O)[C@@H](C)NC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCOCC4)c3c2)CC1 ZINC000064612049 568941825 /nfs/dbraw/zinc/94/18/25/568941825.db2.gz KWAMFGDLICJLFW-OAHLLOKOSA-N 0 0 443.504 1.257 50 0 IDAARN Cc1ccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3cccnc3)c2=O)cc1 ZINC000036085098 568947843 /nfs/dbraw/zinc/94/78/43/568947843.db2.gz SPJGRWWYMBERGC-UHFFFAOYSA-N 0 0 442.479 1.513 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036085270 568947845 /nfs/dbraw/zinc/94/78/45/568947845.db2.gz CTOSPPJUBWJQRY-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085275 568947904 /nfs/dbraw/zinc/94/79/04/568947904.db2.gz GYCLEZVFWPDGBQ-QGZVFWFLSA-N 0 0 438.459 1.799 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085496 568948074 /nfs/dbraw/zinc/94/80/74/568948074.db2.gz DBJRLKRAHJOPDP-UHFFFAOYSA-N 0 0 430.411 1.487 50 0 IDAARN O=C(c1nn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccccc2)c1=O)N1CCOCC1 ZINC000036085632 568948177 /nfs/dbraw/zinc/94/81/77/568948177.db2.gz FOFMCNNCMIJNHC-UHFFFAOYSA-N 0 0 426.860 1.568 50 0 IDAARN COCCNC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036086156 568948426 /nfs/dbraw/zinc/94/84/26/568948426.db2.gz NEEYCPXAFJAWKC-UHFFFAOYSA-N 0 0 448.401 1.838 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036086278 568948666 /nfs/dbraw/zinc/94/86/66/568948666.db2.gz RLMCESHGIRWHQV-UHFFFAOYSA-N 0 0 440.475 1.965 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036087204 568948679 /nfs/dbraw/zinc/94/86/79/568948679.db2.gz MYZXKGOTARDZIY-UHFFFAOYSA-N 0 0 444.875 1.481 50 0 IDAARN COCCNC(=O)c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036087488 568948849 /nfs/dbraw/zinc/94/88/49/568948849.db2.gz NRPHOUSAOUEWKR-UHFFFAOYSA-N 0 0 432.839 1.611 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccc(C)cc3)c2=O)cc1 ZINC000036086630 568949053 /nfs/dbraw/zinc/94/90/53/568949053.db2.gz IUDKNLTYJIXYMY-FQEVSTJZSA-N 0 0 434.496 1.968 50 0 IDAARN Cc1cccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(F)c3)c2=O)c1 ZINC000036087038 568949384 /nfs/dbraw/zinc/94/93/84/568949384.db2.gz ZQIJFHBJFXDDLC-LJQANCHMSA-N 0 0 438.459 1.799 50 0 IDAARN Cc1cccc(-n2nc(C(=O)N3CCN(C)CC3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087024 568949443 /nfs/dbraw/zinc/94/94/43/568949443.db2.gz GQDYSYYHPJFDQU-UHFFFAOYSA-N 0 0 433.512 1.447 50 0 IDAARN COc1cccc(Cn2c(=O)c(C(=O)N3CCCC3)nn(-c3cccc(OC)c3)c2=O)c1 ZINC000036087729 568949768 /nfs/dbraw/zinc/94/97/68/568949768.db2.gz DDSJUAMNJXMLRG-UHFFFAOYSA-N 0 0 436.468 1.696 50 0 IDAARN O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC(=O)N2CCc3ccccc3[C@H]2C1 ZINC000036108731 568953791 /nfs/dbraw/zinc/95/37/91/568953791.db2.gz JZKNWZHEKGCZRR-LJQANCHMSA-N 0 0 439.493 1.054 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cn1C ZINC000064818973 568965690 /nfs/dbraw/zinc/96/56/90/568965690.db2.gz QQRDVSNBUYZIAT-KRWDZBQOSA-N 0 0 448.501 1.562 50 0 IDAARN CCCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2oc1=O ZINC000064818885 568965698 /nfs/dbraw/zinc/96/56/98/568965698.db2.gz LSMXNXBQWROWIP-UHFFFAOYSA-N 0 0 440.474 1.075 50 0 IDAARN COCCN(Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1)C[C@@H](O)COCC(C)C ZINC000036206913 568972908 /nfs/dbraw/zinc/97/29/08/568972908.db2.gz HARYJNJEEIBFCC-CQSZACIVSA-N 0 0 441.550 1.562 50 0 IDAARN COCCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)C(C)C)CC1 ZINC000036210421 568974616 /nfs/dbraw/zinc/97/46/16/568974616.db2.gz RXPNUPJPZXNSDG-HXUWFJFHSA-N 0 0 433.549 1.841 50 0 IDAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)COC)CC1 ZINC000036211553 568975482 /nfs/dbraw/zinc/97/54/82/568975482.db2.gz OFHNNPYTEHWQEP-VLIAUNLRSA-N 0 0 433.505 1.313 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036211016 568976906 /nfs/dbraw/zinc/97/69/06/568976906.db2.gz SFJCEZJPDFWSQS-OAQYLSRUSA-N 0 0 445.560 1.985 50 0 IDAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000036227555 568978650 /nfs/dbraw/zinc/97/86/50/568978650.db2.gz 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CCN1CCN(C(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000064889142 568980199 /nfs/dbraw/zinc/98/01/99/568980199.db2.gz XYQRRYGAQLTPHQ-UHFFFAOYSA-N 0 0 433.578 1.765 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)COc3ccccc3)CC1)OCC(=O)N2 ZINC000064889619 568980389 /nfs/dbraw/zinc/98/03/89/568980389.db2.gz XPNKRIQDNBPQNE-UHFFFAOYSA-N 0 0 445.497 1.238 50 0 IDAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000064889603 568980474 /nfs/dbraw/zinc/98/04/74/568980474.db2.gz OERJMHLRHXIARB-UHFFFAOYSA-N 0 0 445.497 1.481 50 0 IDAARN Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000064889927 568980551 /nfs/dbraw/zinc/98/05/51/568980551.db2.gz CKOHHZMJJAGWEH-UHFFFAOYSA-N 0 0 445.497 1.238 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)Cc3cccs3)CC1)O[C@H](C)C(=O)N2 ZINC000064889743 568980573 /nfs/dbraw/zinc/98/05/73/568980573.db2.gz VZJUUDBEJFQJHR-CQSZACIVSA-N 0 0 449.554 1.852 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3cccs3)CC1)O[C@H](C)C(=O)N2 ZINC000064889713 568980636 /nfs/dbraw/zinc/98/06/36/568980636.db2.gz ZEGXNPDZQMXARS-CYBMUJFWSA-N 0 0 435.527 1.923 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2NC1=O ZINC000064890062 568980824 /nfs/dbraw/zinc/98/08/24/568980824.db2.gz HDFFJZTVCBWHDZ-OJXHRBAXSA-N 0 0 441.509 1.952 50 0 IDAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccco4)CC3)cc2NC1=O ZINC000064890206 568981120 /nfs/dbraw/zinc/98/11/20/568981120.db2.gz PFLJTDORSUBPAL-KRZKXXONSA-N 0 0 445.497 1.935 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000036250359 568983867 /nfs/dbraw/zinc/98/38/67/568983867.db2.gz VUPWAPYIDXYVMN-FQEVSTJZSA-N 0 0 432.590 1.755 50 0 IDAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)o1 ZINC000064921399 568985785 /nfs/dbraw/zinc/98/57/85/568985785.db2.gz SFUMXXGLLGHOQQ-UHFFFAOYSA-N 0 0 433.486 1.636 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)cc2NC1=O ZINC000064921560 568986526 /nfs/dbraw/zinc/98/65/26/568986526.db2.gz 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O=C(CN1C(=O)COc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21)N1CCCC1 ZINC000064956674 568998415 /nfs/dbraw/zinc/99/84/15/568998415.db2.gz OSBWKHIGQMDVJM-UHFFFAOYSA-N 0 0 429.473 1.014 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000064956783 568998942 /nfs/dbraw/zinc/99/89/42/568998942.db2.gz HVDVGIDSLPQSGG-UHFFFAOYSA-N 0 0 446.489 1.275 50 0 IDAARN O=C(CN1c2cc(S(=O)(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O)NC1CC1 ZINC000064966584 569001384 /nfs/dbraw/zinc/00/13/84/569001384.db2.gz MZQAQWKPCMTDCP-GOSISDBHSA-N 0 0 432.546 1.455 50 0 IDAARN COc1ccc(N(C)C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)c(OC)c1 ZINC000064966848 569001629 /nfs/dbraw/zinc/00/16/29/569001629.db2.gz ACBPRKTUUFOPNY-UHFFFAOYSA-N 0 0 430.848 1.878 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000036357750 569084867 /nfs/dbraw/zinc/08/48/67/569084867.db2.gz UIGMHDHZHLIGTH-AWEZNQCLSA-N 0 0 445.497 1.700 50 0 IDAARN O=C(NCc1ccncc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036360379 569086279 /nfs/dbraw/zinc/08/62/79/569086279.db2.gz LXUMICWXQOJXMB-QGZVFWFLSA-N 0 0 428.514 1.535 50 0 IDAARN NC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)CC1 ZINC000036365617 569086796 /nfs/dbraw/zinc/08/67/96/569086796.db2.gz NSZZWVTVDCACEW-UHFFFAOYSA-N 0 0 432.527 1.915 50 0 IDAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)NCCOC)c(Cl)cc32)no1 ZINC000065022505 569088904 /nfs/dbraw/zinc/08/89/04/569088904.db2.gz PMPWGRWRJHLNPN-UHFFFAOYSA-N 0 0 430.870 1.136 50 0 IDAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)NC[C@H]4CCCO4)c(C)cc32)no1 ZINC000065022682 569088974 /nfs/dbraw/zinc/08/89/74/569088974.db2.gz XHBBNELIHOKBSV-CYBMUJFWSA-N 0 0 436.490 1.323 50 0 IDAARN CCOc1cccc(CC(=O)N2CCCN(c3cc(=O)n(C)c(=O)n3C)CC2)c1OCC ZINC000065024330 569089637 /nfs/dbraw/zinc/08/96/37/569089637.db2.gz QAXMBGUWBFNXRX-UHFFFAOYSA-N 0 0 444.532 1.163 50 0 IDAARN CCOc1ccccc1NC(=O)NCCn1nnc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000065029906 569091232 /nfs/dbraw/zinc/09/12/32/569091232.db2.gz TWTXKLGCVWZAGM-UHFFFAOYSA-N 0 0 432.506 1.902 50 0 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/nfs/dbraw/zinc/09/64/28/569096428.db2.gz SPOZXYFGPYMTHB-OAHLLOKOSA-N 0 0 442.582 1.167 50 0 IDAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2nccs2)CC1 ZINC000036390279 569096513 /nfs/dbraw/zinc/09/65/13/569096513.db2.gz HPJWSLOGZBVTQC-GOSISDBHSA-N 0 0 427.530 1.647 50 0 IDAARN CCOc1ccc(NC(=O)Cn2c(=O)c(-c3noc(CC)n3)c3n(c2=O)CCCC3)cc1 ZINC000169764942 569096656 /nfs/dbraw/zinc/09/66/56/569096656.db2.gz SEXVCIOSFFNFRD-UHFFFAOYSA-N 0 0 439.472 1.996 50 0 IDAARN O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCN1CCOCC1 ZINC000065062017 569096950 /nfs/dbraw/zinc/09/69/50/569096950.db2.gz QHDISTAGKJPLIX-UHFFFAOYSA-N 0 0 435.999 1.641 50 0 IDAARN CCC(=O)N1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000065061626 569097005 /nfs/dbraw/zinc/09/70/05/569097005.db2.gz NWCSUPWIWOTVJP-UHFFFAOYSA-N 0 0 426.539 1.163 50 0 IDAARN CCCC(=O)N1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 ZINC000065061630 569097034 /nfs/dbraw/zinc/09/70/34/569097034.db2.gz JVACDSZFPBTCGC-UHFFFAOYSA-N 0 0 440.566 1.553 50 0 IDAARN O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000036393807 569098624 /nfs/dbraw/zinc/09/86/24/569098624.db2.gz LRQKTNQCGNSCDC-FQEVSTJZSA-N 0 0 444.509 1.983 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-c3nnco3)cc2)cc1 ZINC000036396258 569098978 /nfs/dbraw/zinc/09/89/78/569098978.db2.gz VSCVHRFKPPQCRA-UHFFFAOYSA-N 0 0 429.458 1.954 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1C ZINC000065075791 569099747 /nfs/dbraw/zinc/09/97/47/569099747.db2.gz YHTJFEQHTNHBBJ-UHFFFAOYSA-N 0 0 429.498 1.895 50 0 IDAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)Cc4cccc(F)c4)CC3)ccc21 ZINC000065075781 569099750 /nfs/dbraw/zinc/09/97/50/569099750.db2.gz SAHJCHWELUGHFH-UHFFFAOYSA-N 0 0 433.461 1.346 50 0 IDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1 ZINC000065075763 569099776 /nfs/dbraw/zinc/09/97/76/569099776.db2.gz VDVVXQJBLFSOLO-UHFFFAOYSA-N 0 0 431.470 1.287 50 0 IDAARN CC(C)C[C@H](C)NC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 ZINC000169780996 569103111 /nfs/dbraw/zinc/10/31/11/569103111.db2.gz GSSGFRFNHHWIRJ-HNNXBMFYSA-N 0 0 435.546 1.850 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NCCCOC)CC3)cc2oc1=O ZINC000065086004 569103197 /nfs/dbraw/zinc/10/31/97/569103197.db2.gz RLEQDVROBAXJGU-UHFFFAOYSA-N 0 0 439.534 1.558 50 0 IDAARN COCCNC(=O)CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C(C)C)CC1 ZINC000065086104 569103347 /nfs/dbraw/zinc/10/33/47/569103347.db2.gz SQWXEVPCWDSEJP-UHFFFAOYSA-N 0 0 439.534 1.729 50 0 IDAARN O=C(c1nc(-c2csc(S(=O)(=O)NCc3cccnc3)c2)no1)N1CCOCC1 ZINC000065097486 569103806 /nfs/dbraw/zinc/10/38/06/569103806.db2.gz KRAFEHUYDLCSQQ-UHFFFAOYSA-N 0 0 435.487 1.144 50 0 IDAARN CCNC(=O)CCc1nc2ccccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000065101436 569105390 /nfs/dbraw/zinc/10/53/90/569105390.db2.gz MSPUHQNSSAGKPQ-UHFFFAOYSA-N 0 0 436.468 1.510 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)Nc4ccc(F)cc4)c(=O)c3s2)CC1 ZINC000065101032 569105713 /nfs/dbraw/zinc/10/57/13/569105713.db2.gz WGHPBRZRKYOUOY-UHFFFAOYSA-N 0 0 444.492 1.593 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc(-c3nnc(C(=O)N4CCN(C)CC4)o3)cc2)CC1 ZINC000065113845 569108575 /nfs/dbraw/zinc/10/85/75/569108575.db2.gz NYZOBVAJSLSLPV-UHFFFAOYSA-N 0 0 433.534 1.545 50 0 IDAARN COc1ccc(OC)c(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1 ZINC000065114018 569108617 /nfs/dbraw/zinc/10/86/17/569108617.db2.gz YTIVPYYHTCJRSP-UHFFFAOYSA-N 0 0 446.485 1.934 50 0 IDAARN O=c1n(Cc2cccc(C(F)(F)F)c2)nc2c(S(=O)(=O)N3CCOCC3)cccn12 ZINC000065129422 569108793 /nfs/dbraw/zinc/10/87/93/569108793.db2.gz SBWDVOZMXVNFBE-UHFFFAOYSA-N 0 0 442.419 1.584 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3c(N4CCSCC4)nccn3c2=O)cc1 ZINC000065151607 569111324 /nfs/dbraw/zinc/11/13/24/569111324.db2.gz VAHWNPFXJFVGBI-UHFFFAOYSA-N 0 0 442.501 1.260 50 0 IDAARN Cc1ccc(N2CCN(c3nccn4c(=O)n(CC(=O)NC5CCCCC5)nc34)CC2)cc1 ZINC000065151826 569111504 /nfs/dbraw/zinc/11/15/04/569111504.db2.gz SWUJSPKWTDSHIL-UHFFFAOYSA-N 0 0 449.559 1.975 50 0 IDAARN O=C(C1CC1)N1CCc2cc(N3C[C@@H](C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21 ZINC000065195519 569115414 /nfs/dbraw/zinc/11/54/14/569115414.db2.gz BYBLDLOTMMPZGQ-SFHVURJKSA-N 0 0 439.512 1.704 50 0 biogenic IDAARN COCc1cc2nn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)n2c(-c2ccccc2)n1 ZINC000065196604 569115825 /nfs/dbraw/zinc/11/58/25/569115825.db2.gz DSAZXKZSUFCMEH-UHFFFAOYSA-N 0 0 447.451 1.750 50 0 IDAARN COc1ccc(C(=O)N2C[C@@H]3CN(S(=O)(=O)c4ccc(OC)cc4)C[C@H](C2)O3)cc1 ZINC000065225124 569117735 /nfs/dbraw/zinc/11/77/35/569117735.db2.gz OXMNDQLGLJYMEN-KDURUIRLSA-N 0 0 432.498 1.618 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cc4n(n3)CCCN(C)C4=O)CC2)cc1 ZINC000065225898 569117922 /nfs/dbraw/zinc/11/79/22/569117922.db2.gz PTISMOMMIDKMTG-UHFFFAOYSA-N 0 0 445.545 1.886 50 0 IDAARN CC(C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000036576369 569118479 /nfs/dbraw/zinc/11/84/79/569118479.db2.gz JAWMUUFGZPJACF-CHWSQXEVSA-N 0 0 439.563 1.121 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(F)ccc1F)C(=O)OC ZINC000036569347 569118576 /nfs/dbraw/zinc/11/85/76/569118576.db2.gz YFZDEDFEWYXBAY-CRAIPNDOSA-N 0 0 436.415 1.840 50 0 IDAARN NC(=O)C1CCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)CC1 ZINC000065235938 569119458 /nfs/dbraw/zinc/11/94/58/569119458.db2.gz ISGNWXFJYZZSOP-UHFFFAOYSA-N 0 0 433.472 1.292 50 0 IDAARN CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2N2CCC3(CC2)OCCO3)cc1 ZINC000036585718 569120071 /nfs/dbraw/zinc/12/00/71/569120071.db2.gz RDPMIBMNKRHKNC-ZWKOTPCHSA-N 0 0 429.560 1.027 50 0 IDAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCSCC4)c3)nc2)C1 ZINC000065254359 569122670 /nfs/dbraw/zinc/12/26/70/569122670.db2.gz NPOXZVOOUISCKB-OAHLLOKOSA-N 0 0 435.575 1.877 50 0 IDAARN Cn1ncc2c1nc(C(=O)N1CCN(Cc3ccccc3)CC1)nc2N1CCSCC1 ZINC000065257223 569123350 /nfs/dbraw/zinc/12/33/50/569123350.db2.gz FJVCNMAEBDGSMI-UHFFFAOYSA-N 0 0 437.573 1.875 50 0 IDAARN COC(=O)c1c2c(sc1NC(=O)c1cc(C(=O)N3CCOCC3)nn1C)CCCC2 ZINC000036612401 569123657 /nfs/dbraw/zinc/12/36/57/569123657.db2.gz AUPMPNCUOMGFRW-UHFFFAOYSA-N 0 0 432.502 1.872 50 0 IDAARN CCn1ncc(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1C ZINC000036614499 569124047 /nfs/dbraw/zinc/12/40/47/569124047.db2.gz OTBSMRMXRQDSGO-UHFFFAOYSA-N 0 0 431.562 1.845 50 0 IDAARN COc1cc([C@H](CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731438 569126484 /nfs/dbraw/zinc/12/64/84/569126484.db2.gz XYBBCSLUKDMCAQ-KGLIPLIRSA-N 0 0 437.470 1.193 50 0 biogenic IDAARN COc1cc([C@H](CC(=O)N[C@@H]2C=CS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731795 569126664 /nfs/dbraw/zinc/12/66/64/569126664.db2.gz KQRGDAUIDRPQMW-KGLIPLIRSA-N 0 0 435.454 1.317 50 0 biogenic IDAARN CC(=O)N1CC(=O)[C@H]([C@@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])c2cccnc2)C1=O ZINC000524732788 569126960 /nfs/dbraw/zinc/12/69/60/569126960.db2.gz NYKSQASWADIOKX-FCHUYYIVSA-N 0 0 432.480 1.888 50 0 IDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000524734612 569127748 /nfs/dbraw/zinc/12/77/48/569127748.db2.gz VCSTUMWCKWVYLR-FQEVSTJZSA-N 0 0 446.511 1.784 50 0 IDAARN C=C1C(N2CCC(NC(=O)N[C@H](C)C(=O)OC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271798 569128596 /nfs/dbraw/zinc/12/85/96/569128596.db2.gz DCDWCUKYEQYFCC-OAHLLOKOSA-N 0 0 448.545 1.793 50 0 IDAARN CC[C@@]1(N2CCN(C(=O)COc3cccc(Cl)c3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292192 569132342 /nfs/dbraw/zinc/13/23/42/569132342.db2.gz BQBHZAZWZJLBIG-LJQANCHMSA-N 0 0 429.970 1.677 50 0 IDAARN Cc1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3C[C@H]3CCCO3)c2=O)cc1 ZINC000065305444 569133191 /nfs/dbraw/zinc/13/31/91/569133191.db2.gz ICHNYIDBWMKWFU-OAHLLOKOSA-N 0 0 439.497 1.999 50 0 IDAARN O=C(NCCCN1CCCC1=O)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311438 569133796 /nfs/dbraw/zinc/13/37/96/569133796.db2.gz ZZYGXDAGWPDKOE-UHFFFAOYSA-N 0 0 437.544 1.637 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000036708274 569135017 /nfs/dbraw/zinc/13/50/17/569135017.db2.gz IWGDUCMDUADSEB-UHFFFAOYSA-N 0 0 431.518 1.359 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC(=O)NC2CCCC2)C1=O ZINC000065314826 569135716 /nfs/dbraw/zinc/13/57/16/569135716.db2.gz GRSRKVSWBVXAPE-UHFFFAOYSA-N 0 0 435.546 1.391 50 0 IDAARN CCn1cc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)c(=O)c2ccc(C)nc21 ZINC000238814658 569136451 /nfs/dbraw/zinc/13/64/51/569136451.db2.gz BDWGKWGAGINXOL-UHFFFAOYSA-N 0 0 448.527 1.856 50 0 IDAARN Cc1sc2ncn(C[C@@H]3CCCO3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1 ZINC000065331011 569137049 /nfs/dbraw/zinc/13/70/49/569137049.db2.gz BHZCUEPJZFBATD-LBPRGKRZSA-N 0 0 449.514 1.240 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cncc(Br)c3)CC2)cn1 ZINC000238970706 569138292 /nfs/dbraw/zinc/13/82/92/569138292.db2.gz ZJNLPVQRPSIIOQ-UHFFFAOYSA-N 0 0 428.312 1.114 50 0 IDAARN Cn1nc(Br)c2c1ncn(CC(=O)Nc1ccccc1Cn1cncn1)c2=O ZINC000065551848 569139604 /nfs/dbraw/zinc/13/96/04/569139604.db2.gz GGCXEATYTUITBZ-UHFFFAOYSA-N 0 0 443.265 1.171 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000007425573 569140168 /nfs/dbraw/zinc/14/01/68/569140168.db2.gz FXRRITUYFQVAIR-MRXNPFEDSA-N 0 0 427.505 1.408 50 0 IDAARN COc1c2c(cc3c1[C@H](CNC(=O)c1ccc4c(c1)NC(=O)CO4)N(C)CC3)OCO2 ZINC000526052455 569140560 /nfs/dbraw/zinc/14/05/60/569140560.db2.gz GXMBTAUXJFFSEL-HNNXBMFYSA-N 0 0 425.441 1.714 50 0 IDAARN Cn1c(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)nc2ccc(F)cc21 ZINC000170595060 569141423 /nfs/dbraw/zinc/14/14/23/569141423.db2.gz NSMQHQPPEFAIOO-UHFFFAOYSA-N 0 0 437.522 1.708 50 0 IDAARN CCCCOCCOCCOCCS(=O)(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000170595716 569141739 /nfs/dbraw/zinc/14/17/39/569141739.db2.gz NNIMCJQOHJDIPZ-FQEVSTJZSA-N 0 0 442.578 1.729 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2cncnc2)C(C)C)c1 ZINC000170596824 569141800 /nfs/dbraw/zinc/14/18/00/569141800.db2.gz DZYXENFJTNVRAL-GOSISDBHSA-N 0 0 433.534 1.900 50 0 IDAARN CC1CCN(C(=O)C(=O)NC[C@H](NC(=O)C(=O)N2CCC(C)CC2)C2CCCCC2)CC1 ZINC000170597861 569142255 /nfs/dbraw/zinc/14/22/55/569142255.db2.gz WMBSGOOSIFWYTC-FQEVSTJZSA-N 0 0 448.608 1.685 50 0 IDAARN Cc1nn(C)c(-n2cccn2)c1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000170600995 569142818 /nfs/dbraw/zinc/14/28/18/569142818.db2.gz HOSIFJPTDPGSCD-UHFFFAOYSA-N 0 0 444.517 1.496 50 0 IDAARN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000170601396 569143114 /nfs/dbraw/zinc/14/31/14/569143114.db2.gz BRSBZBBAOYKOBR-MLGOLLRUSA-N 0 0 443.504 1.795 50 0 IDAARN CC(C)N(CCOCCNC(=O)c1ccnc(N(C)C)c1)C(=O)c1ccnc(N(C)C)c1 ZINC000170607628 569144136 /nfs/dbraw/zinc/14/41/36/569144136.db2.gz ZPUWFPKMYPVECU-UHFFFAOYSA-N 0 0 442.564 1.906 50 0 IDAARN CN(C(=O)COC(=O)CN1CCN(C)C(=O)C1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000170610696 569144974 /nfs/dbraw/zinc/14/49/74/569144974.db2.gz BWZMDSINJIOOPG-JOCHJYFZSA-N 0 0 449.935 1.454 50 0 IDAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Br)[nH]c1=O ZINC000170611641 569145120 /nfs/dbraw/zinc/14/51/20/569145120.db2.gz SWGNWYGTFFKURY-UHFFFAOYSA-N 0 0 425.264 1.617 50 0 IDAARN CCCN(C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@H](CC)C(=O)OCC ZINC000170611569 569145265 /nfs/dbraw/zinc/14/52/65/569145265.db2.gz KUIZSEYJCCXMDD-MRXNPFEDSA-N 0 0 444.550 1.953 50 0 IDAARN Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)ccc1Br ZINC000170613265 569146235 /nfs/dbraw/zinc/14/62/35/569146235.db2.gz PGVIDZIUUIQJPF-IQMFZBJNSA-N 0 0 432.365 1.985 50 0 IDAARN Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)ccc1Br ZINC000170613266 569146291 /nfs/dbraw/zinc/14/62/91/569146291.db2.gz PGVIDZIUUIQJPF-CMJOXMDJSA-N 0 0 432.365 1.985 50 0 IDAARN CN(C)S(=O)(=O)N(C)CCOC(=O)Cc1ccc(I)cc1 ZINC000170617284 569147128 /nfs/dbraw/zinc/14/71/28/569147128.db2.gz KSCKIOJTNAFXKD-UHFFFAOYSA-N 0 0 426.276 1.115 50 0 IDAARN O=C(CCSc1ccccc1)NC(=O)COC(=O)Cn1cnc2ccccc2c1=O ZINC000009882967 569149878 /nfs/dbraw/zinc/14/98/78/569149878.db2.gz ZTDHZXZUPALEFM-UHFFFAOYSA-N 0 0 425.466 1.765 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009908574 569150521 /nfs/dbraw/zinc/15/05/21/569150521.db2.gz NZBRKSAMGIMKSG-VBKZILBWSA-N 0 0 433.486 1.707 50 0 IDAARN COC(=O)CC1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000071288879 569151020 /nfs/dbraw/zinc/15/10/20/569151020.db2.gz IJMSJTVRCCIFSI-UHFFFAOYSA-N 0 0 436.940 1.973 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n(C)c1 ZINC000010027704 569151811 /nfs/dbraw/zinc/15/18/11/569151811.db2.gz QJSHPZILXVOXMM-UHFFFAOYSA-N 0 0 448.501 1.153 50 0 IDAARN O=C(NCc1ccccn1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219889 569152781 /nfs/dbraw/zinc/15/27/81/569152781.db2.gz KLHXNOLKTALQLE-UHFFFAOYSA-N 0 0 445.888 1.604 50 0 IDAARN O=C(NC[C@@H]1CCCO1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219929 569152818 /nfs/dbraw/zinc/15/28/18/569152818.db2.gz DXJRPTXNYPKEJU-ZDUSSCGKSA-N 0 0 438.893 1.188 50 0 IDAARN COCCCNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219912 569152842 /nfs/dbraw/zinc/15/28/42/569152842.db2.gz VBFCXCXFQXDZFH-UHFFFAOYSA-N 0 0 426.882 1.045 50 0 IDAARN O=C(NC[C@H]1CCCO1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219886 569152845 /nfs/dbraw/zinc/15/28/45/569152845.db2.gz PRRNFCIBYCAHEW-CYBMUJFWSA-N 0 0 438.893 1.188 50 0 IDAARN COc1ccc(OC)c(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000010216296 569153126 /nfs/dbraw/zinc/15/31/26/569153126.db2.gz YVSPIMLKMZKCTM-UHFFFAOYSA-N 0 0 430.486 1.689 50 0 IDAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000010216366 569153134 /nfs/dbraw/zinc/15/31/34/569153134.db2.gz GTYRSLJNURMOSA-UHFFFAOYSA-N 0 0 428.470 1.078 50 0 IDAARN Cc1cc(O)c(C(c2ccc(F)cc2)c2c(O)cc(C)n(CCO)c2=O)c(=O)n1CCO ZINC000010217766 569153401 /nfs/dbraw/zinc/15/34/01/569153401.db2.gz AGQSHLZUKRTZJG-UHFFFAOYSA-N 0 0 444.459 1.342 50 0 IDAARN O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000010219809 569153837 /nfs/dbraw/zinc/15/38/37/569153837.db2.gz DSFSGHUMVRJJQO-UHFFFAOYSA-N 0 0 446.435 1.834 50 0 IDAARN O=C(NCc1ccccn1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000010219820 569153849 /nfs/dbraw/zinc/15/38/49/569153849.db2.gz QPQDAMJDSHREIN-UHFFFAOYSA-N 0 0 429.433 1.090 50 0 IDAARN CN1CCN(n2c3c(c(SCC(=O)Nc4ccc5c(c4)OCO5)nc2=O)CCC3)CC1 ZINC000010255091 569153973 /nfs/dbraw/zinc/15/39/73/569153973.db2.gz DYRXFDAMMJMJIQ-UHFFFAOYSA-N 0 0 443.529 1.075 50 0 IDAARN COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(CSc2nccc(C)n2)cc1=O ZINC000010254992 569153985 /nfs/dbraw/zinc/15/39/85/569153985.db2.gz LIOFEYXLSLSLGB-UHFFFAOYSA-N 0 0 439.497 1.985 50 0 IDAARN CC(C)OCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000010385574 569154469 /nfs/dbraw/zinc/15/44/69/569154469.db2.gz RCOCMCASLAYKRI-HNNXBMFYSA-N 0 0 431.493 1.090 50 0 IDAARN CC(C)OCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000010385612 569154471 /nfs/dbraw/zinc/15/44/71/569154471.db2.gz MDILDVMGDSBTSI-MRXNPFEDSA-N 0 0 445.520 1.101 50 0 IDAARN CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000010385761 569154473 /nfs/dbraw/zinc/15/44/73/569154473.db2.gz BLCBPCTYBRAKEW-HNNXBMFYSA-N 0 0 445.520 1.484 50 0 IDAARN CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000010385150 569154526 /nfs/dbraw/zinc/15/45/26/569154526.db2.gz FXMCIPWISBRPHE-OAHLLOKOSA-N 0 0 447.923 1.753 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385289 569154560 /nfs/dbraw/zinc/15/45/60/569154560.db2.gz OLZRMEAOZXJNPC-OAHLLOKOSA-N 0 0 439.472 1.631 50 0 IDAARN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnc2ccccn2c1=O ZINC000025604803 569155378 /nfs/dbraw/zinc/15/53/78/569155378.db2.gz GOTBCGCGQGSLSY-UHFFFAOYSA-N 0 0 435.440 1.611 50 0 IDAARN Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)NCCc1cccs1 ZINC000013729290 569156874 /nfs/dbraw/zinc/15/68/74/569156874.db2.gz OYULNAQRMICXSV-ZDUSSCGKSA-N 0 0 428.557 1.890 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000014264464 569158373 /nfs/dbraw/zinc/15/83/73/569158373.db2.gz DANJVVIFWRFWAK-UHFFFAOYSA-N 0 0 428.470 1.468 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(CC(=O)Nc2ccccc2OC)c1=O ZINC000014358308 569158806 /nfs/dbraw/zinc/15/88/06/569158806.db2.gz QFGWRDUZWWBGIL-UHFFFAOYSA-N 0 0 429.477 1.372 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(CC(=O)Nc2cc(C)ccc2OC)c1=O ZINC000014358295 569158851 /nfs/dbraw/zinc/15/88/51/569158851.db2.gz WEMIRMZSCIABJR-UHFFFAOYSA-N 0 0 443.504 1.680 50 0 IDAARN COc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N(C)C ZINC000014493634 569159058 /nfs/dbraw/zinc/15/90/58/569159058.db2.gz OBXAKNUPSMQULQ-UHFFFAOYSA-N 0 0 438.481 1.523 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000089638884 569160254 /nfs/dbraw/zinc/16/02/54/569160254.db2.gz FXHVFKBVCDVETH-UHFFFAOYSA-N 0 0 429.546 1.535 50 0 IDAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H]4OCCN(C)[C@H]4C3)ccc2C)cc1 ZINC000089651313 569160633 /nfs/dbraw/zinc/16/06/33/569160633.db2.gz DNJALXHLHKTVCD-PMACEKPBSA-N 0 0 445.541 1.959 50 0 IDAARN O=C(NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O)c1cnccn1 ZINC000016850549 569164728 /nfs/dbraw/zinc/16/47/28/569164728.db2.gz QHMNUEVYLGOHHI-UHFFFAOYSA-N 0 0 437.431 1.242 50 0 IDAARN COc1ccc(N2C(=S)N=NC2CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000016913774 569165895 /nfs/dbraw/zinc/16/58/95/569165895.db2.gz QQYTZUOAIOPXSJ-UHFFFAOYSA-N 0 0 447.542 1.745 50 0 IDAARN COC(=O)C1(NC(=O)CN2C(=O)N[C@](C)(CCc3ccc(OC)cc3)C2=O)CCCCC1 ZINC000089914315 569167438 /nfs/dbraw/zinc/16/74/38/569167438.db2.gz TVTMCTOVMGWYMR-JOCHJYFZSA-N 0 0 445.516 1.930 50 0 IDAARN Cn1cc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(Br)cc3)C2=O)cn1 ZINC000089917045 569167494 /nfs/dbraw/zinc/16/74/94/569167494.db2.gz KMAPLEYAZCAKCP-INIZCTEOSA-N 0 0 441.307 1.424 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)NCc3nnnn3-c3ccc(F)c(F)c3)CC2=O)c1 ZINC000016960368 569168102 /nfs/dbraw/zinc/16/81/02/569168102.db2.gz UATGDOZZZAPCCD-LBPRGKRZSA-N 0 0 428.399 1.618 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](Cn4ccnn4)C3)cc2)C[C@@H](C)O1 ZINC000089936764 569168231 /nfs/dbraw/zinc/16/82/31/569168231.db2.gz YNHHHLZSARFIDF-KURKYZTESA-N 0 0 447.561 1.628 50 0 IDAARN CCCC[C@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)N1CCCS1(=O)=O ZINC000089950179 569168600 /nfs/dbraw/zinc/16/86/00/569168600.db2.gz ZOMOMWMEQUKBAK-RBUKOAKNSA-N 0 0 442.626 1.126 50 0 IDAARN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)c(OC)c1 ZINC000089960384 569169143 /nfs/dbraw/zinc/16/91/43/569169143.db2.gz WUAVQJLFSRONQN-AWEZNQCLSA-N 0 0 448.563 1.811 50 0 IDAARN CCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000016986950 569169188 /nfs/dbraw/zinc/16/91/88/569169188.db2.gz KNNVYEITRTZDMG-UHFFFAOYSA-N 0 0 445.472 1.159 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCOCC3)c12 ZINC000016992989 569169867 /nfs/dbraw/zinc/16/98/67/569169867.db2.gz QYFRMWBRDXHKRO-CQSZACIVSA-N 0 0 430.486 1.832 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 ZINC000017011517 569170372 /nfs/dbraw/zinc/17/03/72/569170372.db2.gz VPOFVGDOSRDAKT-HOCLYGCPSA-N 0 0 432.502 1.551 50 0 IDAARN Cc1cc(NC(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)no1 ZINC000017025652 569170968 /nfs/dbraw/zinc/17/09/68/569170968.db2.gz IGZSEHHOHHUKTL-UHFFFAOYSA-N 0 0 439.457 1.262 50 0 IDAARN O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000017155510 569175028 /nfs/dbraw/zinc/17/50/28/569175028.db2.gz CGIKYODTHQFJJX-UHFFFAOYSA-N 0 0 444.492 1.906 50 0 IDAARN CCN(C(=O)COC(=O)/C=C/c1cc(F)cc2c1OCOC2)[C@H]1CCS(=O)(=O)C1 ZINC000017255133 569176383 /nfs/dbraw/zinc/17/63/83/569176383.db2.gz OVOKTVWFHCFOHM-CWDCEQMOSA-N 0 0 427.450 1.284 50 0 IDAARN Cc1ccc(N=c2sc(SCCS(C)(=O)=O)nn2CCS(C)(=O)=O)cc1 ZINC000252467397 569184824 /nfs/dbraw/zinc/18/48/24/569184824.db2.gz HVHVCOYQQZFXAS-UHFFFAOYSA-N 0 0 435.618 1.667 50 0 IDAARN O=C([O-])CC[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000002130453 569184930 /nfs/dbraw/zinc/18/49/30/569184930.db2.gz OECOESKZBWEZIY-NZQNYPKQSA-N 0 0 425.485 1.995 50 0 biogenic IDAARN C[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccccc1O ZINC000002133893 569185086 /nfs/dbraw/zinc/18/50/86/569185086.db2.gz LPLHLJDAFSPKOR-QAXQKDMVSA-N 0 0 436.461 1.232 50 0 biogenic IDAARN Cn1cnnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000252484737 569186548 /nfs/dbraw/zinc/18/65/48/569186548.db2.gz GFYBFFXKJRFQCK-UHFFFAOYSA-N 0 0 444.844 1.334 50 0 IDAARN Cc1ccc(NC(=O)CCNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002140627 569186555 /nfs/dbraw/zinc/18/65/55/569186555.db2.gz IXNXMPGKKJPONP-KWXDATOUSA-N 0 0 434.489 1.836 50 0 IDAARN COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002150540 569187321 /nfs/dbraw/zinc/18/73/21/569187321.db2.gz TZTYXTVFHBZCGU-AABGKKOBSA-N 0 0 438.528 1.351 50 0 biogenic IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)n1CCOCCO ZINC000010233371 569188307 /nfs/dbraw/zinc/18/83/07/569188307.db2.gz XKPNGSOJICKDGM-UHFFFAOYSA-N 0 0 449.870 1.308 50 0 IDAARN CCCC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2NC1=O ZINC000252509761 569188634 /nfs/dbraw/zinc/18/86/34/569188634.db2.gz YUXMBZQBZXVOIN-GOSISDBHSA-N 0 0 431.518 1.877 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1 ZINC000252523127 569189576 /nfs/dbraw/zinc/18/95/76/569189576.db2.gz BXLXHKONQGOXOJ-WOJBJXKFSA-N 0 0 425.485 1.993 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC[S@@](=O)C1 ZINC000252532964 569189681 /nfs/dbraw/zinc/18/96/81/569189681.db2.gz FOTWHRRBPFGJJR-WXFDILNBSA-N 0 0 428.576 1.818 50 0 IDAARN CC[C@H](C)[C@@H](CO)NC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000252536234 569189921 /nfs/dbraw/zinc/18/99/21/569189921.db2.gz HXIRDDSEBDDGHL-USXIJHARSA-N 0 0 435.521 1.675 50 0 IDAARN CSCC[C@@H](NC(=O)C[C@H]1NC(=O)N(Cc2ccco2)C1=O)c1nnc2ccccn21 ZINC000252536761 569190025 /nfs/dbraw/zinc/19/00/25/569190025.db2.gz JNJKYJIXLRKEKO-HUUCEWRRSA-N 0 0 442.501 1.948 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1OC ZINC000252571284 569191088 /nfs/dbraw/zinc/19/10/88/569191088.db2.gz XRHKKAFHXWAIGY-QZTJIDSGSA-N 0 0 441.484 1.959 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N[C@@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000252571347 569191236 /nfs/dbraw/zinc/19/12/36/569191236.db2.gz XWHYYXJRZNQHKP-WMLDXEAASA-N 0 0 436.472 1.673 50 0 IDAARN CC(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)CC1 ZINC000037399051 569194288 /nfs/dbraw/zinc/19/42/88/569194288.db2.gz HOHOESLKRKPXRC-UHFFFAOYSA-N 0 0 434.496 1.460 50 0 IDAARN CC(=O)N1CCN(C(=O)Cn2c3ccccc3c(=O)n(-c3cccc(Cl)c3)c2=O)CC1 ZINC000037400013 569194841 /nfs/dbraw/zinc/19/48/41/569194841.db2.gz PZYZHACMSRUZDW-UHFFFAOYSA-N 0 0 440.887 1.497 50 0 IDAARN COC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000037525242 569198965 /nfs/dbraw/zinc/19/89/65/569198965.db2.gz QBKPJTFFZIGUSY-HXUWFJFHSA-N 0 0 444.532 1.475 50 0 IDAARN COC(=O)CC(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2cccc(F)c2)CC1 ZINC000037574833 569201337 /nfs/dbraw/zinc/20/13/37/569201337.db2.gz TXGPFRXAAHPOAX-UHFFFAOYSA-N 0 0 443.435 1.152 50 0 IDAARN O=C(CCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)NCC1CC1 ZINC000037578100 569201518 /nfs/dbraw/zinc/20/15/18/569201518.db2.gz QKXPACPWTBLDHL-UHFFFAOYSA-N 0 0 427.480 1.714 50 0 IDAARN CCOC(=O)C1CCN(C(=O)c2cc3n(n2)CCN(Cc2cccc(OC)c2)C3=O)CC1 ZINC000037624068 569203306 /nfs/dbraw/zinc/20/33/06/569203306.db2.gz KOXYLSQKNXNWAW-UHFFFAOYSA-N 0 0 440.500 1.963 50 0 IDAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2 ZINC000002248399 569214672 /nfs/dbraw/zinc/21/46/72/569214672.db2.gz VRBUFKZPOCIFIR-UHFFFAOYSA-N 0 0 433.461 1.749 50 0 IDAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccco1)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(Cc3ccco3)C(=O)[C@@H]12 ZINC000136742192 569258848 /nfs/dbraw/zinc/25/88/48/569258848.db2.gz WSVQHUCRCMDNNU-GBGOZXPFSA-N 0 0 432.432 1.837 50 0 IDAARN COc1cccc2c1OCC(C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1)=C2 ZINC000253392123 569264329 /nfs/dbraw/zinc/26/43/29/569264329.db2.gz RLAYYCFHHFTKHS-UHFFFAOYSA-N 0 0 430.473 1.989 50 0 IDAARN O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)NCC1(c2ccccc2)CC1 ZINC000253428843 569267613 /nfs/dbraw/zinc/26/76/13/569267613.db2.gz LFPORXFVLOAOOR-UHFFFAOYSA-N 0 0 428.510 1.950 50 0 IDAARN CCOC(CNC(=O)c1sc2ncn(CC(=O)N(CC)CC)c(=O)c2c1C)OCC ZINC000027534447 569267797 /nfs/dbraw/zinc/26/77/97/569267797.db2.gz HRKPXTUAHLBFBZ-UHFFFAOYSA-N 0 0 438.550 1.764 50 0 IDAARN O=C([O-])CC[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000002338681 569274901 /nfs/dbraw/zinc/27/49/01/569274901.db2.gz ITLLBGBJIXZGKY-NZQNYPKQSA-N 0 0 437.427 1.611 50 0 IDAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)c1C ZINC000253471417 569282538 /nfs/dbraw/zinc/28/25/38/569282538.db2.gz CORXTIBTJFBFQE-UHFFFAOYSA-N 0 0 440.591 1.739 50 0 IDAARN CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)CC1 ZINC000009434238 569296356 /nfs/dbraw/zinc/29/63/56/569296356.db2.gz ZZOWJYPAQBCJJE-UHFFFAOYSA-N 0 0 437.331 1.541 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)C1CCCCC1 ZINC000002415303 569301367 /nfs/dbraw/zinc/30/13/67/569301367.db2.gz OUGCUOGJWZQCSE-IBGZPJMESA-N 0 0 436.390 1.932 50 0 IDAARN COCCN(C(=O)c1cc2cc(Br)ccc2oc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000011990891 569303456 /nfs/dbraw/zinc/30/34/56/569303456.db2.gz IFDCTSURHZEBHZ-CYBMUJFWSA-N 0 0 444.303 1.831 50 0 IDAARN CCN1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000012997776 569306195 /nfs/dbraw/zinc/30/61/95/569306195.db2.gz HVGXDBVRHSPWHM-LJQANCHMSA-N 0 0 448.633 1.424 50 0 IDAARN COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000013041639 569308150 /nfs/dbraw/zinc/30/81/50/569308150.db2.gz LWHPIRTWSWDDLQ-CYBMUJFWSA-N 0 0 444.531 1.818 50 0 IDAARN COCCN(C(=O)COc1ccc(F)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013041691 569308242 /nfs/dbraw/zinc/30/82/42/569308242.db2.gz FZVYNESFTDAXMR-UHFFFAOYSA-N 0 0 442.875 1.626 50 0 IDAARN CCOC(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000013056829 569308392 /nfs/dbraw/zinc/30/83/92/569308392.db2.gz SCRKDGWIGNYFLX-UHFFFAOYSA-N 0 0 426.539 1.430 50 0 IDAARN O=S(=O)(c1ccc(F)cc1)N1CCN(Cn2nnn(-c3ccccc3)c2=S)CC1 ZINC000013072025 569308959 /nfs/dbraw/zinc/30/89/59/569308959.db2.gz IVAVYZXYPNIUBQ-UHFFFAOYSA-N 0 0 434.522 1.901 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000013071308 569308963 /nfs/dbraw/zinc/30/89/63/569308963.db2.gz SHHSHLFWNQWPNC-UHFFFAOYSA-N 0 0 441.531 1.625 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2cccs2)cc1 ZINC000013375883 569315192 /nfs/dbraw/zinc/31/51/92/569315192.db2.gz JDCHEOFSINRFDJ-ROUUACIJSA-N 0 0 442.584 1.478 50 0 IDAARN CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(F)cc2)cc1 ZINC000013372063 569315231 /nfs/dbraw/zinc/31/52/31/569315231.db2.gz VKRSCAGZJHSNGS-PMACEKPBSA-N 0 0 441.546 1.996 50 0 IDAARN Cc1nnc(CN2CCN(C(=O)[C@@H]3CCN(c4cccc(Br)c4)C3=O)CC2)[nH]1 ZINC000078823354 569319455 /nfs/dbraw/zinc/31/94/55/569319455.db2.gz 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O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000079477699 569330760 /nfs/dbraw/zinc/33/07/60/569330760.db2.gz KTORYKINDMKVNF-SFHVURJKSA-N 0 0 439.578 1.026 50 0 IDAARN CCOCCCNC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1 ZINC000020107560 569334224 /nfs/dbraw/zinc/33/42/24/569334224.db2.gz QKPZPHPHKPHVFK-UHFFFAOYSA-N 0 0 442.651 1.690 50 0 IDAARN O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)NC[C@H]1CCCO1 ZINC000020107531 569334284 /nfs/dbraw/zinc/33/42/84/569334284.db2.gz WJSUHRMPRTXFGA-QGZVFWFLSA-N 0 0 440.635 1.442 50 0 IDAARN COc1ccc(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1OC ZINC000020130741 569335339 /nfs/dbraw/zinc/33/53/39/569335339.db2.gz GUXWLYLHRUBMQZ-UHFFFAOYSA-N 0 0 437.496 1.884 50 0 IDAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCC(N4C(=O)CNC4=O)CC3)n(C)n2)c1 ZINC000390827713 569353916 /nfs/dbraw/zinc/35/39/16/569353916.db2.gz JJAJIZHORKVTNX-UHFFFAOYSA-N 0 0 427.461 1.261 50 0 IDAARN COc1ccc(OC)c(-c2cc(C(=O)NC3CCN([C@H]4CCS(=O)(=O)C4)CC3)[nH]n2)c1 ZINC000390830022 569354185 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446.504 1.072 50 0 IDAARN COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000020287685 569359278 /nfs/dbraw/zinc/35/92/78/569359278.db2.gz WNDHZNNGXGSQGJ-JXFKEZNVSA-N 0 0 430.574 1.866 50 0 IDAARN CCCCn1c2nc(CN(C)Cc3ccc(C(=O)NC)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000095348536 569361562 /nfs/dbraw/zinc/36/15/62/569361562.db2.gz VRPGGNFSYCBXDK-UHFFFAOYSA-N 0 0 426.521 1.698 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(CC[C@@H](O)c3ccccc3)c1)c(=O)n2C ZINC000095348887 569361655 /nfs/dbraw/zinc/36/16/55/569361655.db2.gz XWQOMRMHZRJYMM-LJQANCHMSA-N 0 0 447.495 1.739 50 0 IDAARN CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000095349231 569361819 /nfs/dbraw/zinc/36/18/19/569361819.db2.gz BDBPFCIAPAHOKS-QGZVFWFLSA-N 0 0 446.591 1.301 50 0 IDAARN C[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000095351758 569362151 /nfs/dbraw/zinc/36/21/51/569362151.db2.gz WVSPWMWPUAORGY-SDDRHHMPSA-N 0 0 445.497 1.157 50 0 IDAARN CCOC[C@@H](O)CN1CCN(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)CC1 ZINC000095399142 569363655 /nfs/dbraw/zinc/36/36/55/569363655.db2.gz QLRDJKXQVMASPI-ADXZGYQBSA-N 0 0 427.567 1.129 50 0 IDAARN CN(Cc1nccn1C)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000095402860 569364180 /nfs/dbraw/zinc/36/41/80/569364180.db2.gz VTZRBQJVSZCJBL-UHFFFAOYSA-N 0 0 428.312 1.194 50 0 IDAARN CN1CCN(C(=O)Cn2ccc(NC(=O)NCCc3cc(F)cc4c3OCOC4)n2)CC1 ZINC000095406040 569364589 /nfs/dbraw/zinc/36/45/89/569364589.db2.gz ITVUJRUCJFLICP-UHFFFAOYSA-N 0 0 446.483 1.027 50 0 IDAARN CC1(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CCOCC1 ZINC000095409526 569365219 /nfs/dbraw/zinc/36/52/19/569365219.db2.gz PHJGCHQUPVNQDQ-KRWDZBQOSA-N 0 0 426.535 1.649 50 0 IDAARN COC(=O)CN(CCC(F)(F)F)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000095409561 569365241 /nfs/dbraw/zinc/36/52/41/569365241.db2.gz GTVKOJWNUWMXPK-UHFFFAOYSA-N 0 0 426.775 1.780 50 0 IDAARN COc1ccsc1S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000095415192 569365358 /nfs/dbraw/zinc/36/53/58/569365358.db2.gz PXWURMKRIAYVON-HNNXBMFYSA-N 0 0 429.951 1.943 50 0 IDAARN CC(C)NC(=O)CSc1ccccc1C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000095430112 569366123 /nfs/dbraw/zinc/36/61/23/569366123.db2.gz WDPDZTQQUCOWPI-HNNXBMFYSA-N 0 0 427.592 1.846 50 0 IDAARN CC(C)[C@@H](C(=O)NC[C@H](O)COc1cccc(Cl)c1Cl)N1CCCS1(=O)=O ZINC000095430624 569366141 /nfs/dbraw/zinc/36/61/41/569366141.db2.gz VIPOWBUGBKHXRN-LRDDRELGSA-N 0 0 439.361 1.909 50 0 IDAARN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ncccc32)cc1 ZINC000095433548 569366447 /nfs/dbraw/zinc/36/64/47/569366447.db2.gz ABWFUUABWSEAGZ-CQSZACIVSA-N 0 0 426.516 1.871 50 0 IDAARN COC(=O)c1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000095442141 569366716 /nfs/dbraw/zinc/36/67/16/569366716.db2.gz DTXBYASOAQVVMJ-UHFFFAOYSA-N 0 0 446.525 1.948 50 0 IDAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H]1CCN(C2CC2)C1=O ZINC000095441560 569366719 /nfs/dbraw/zinc/36/67/19/569366719.db2.gz KPXJOFXNIFZUFB-HXUWFJFHSA-N 0 0 427.526 1.967 50 0 IDAARN C[C@@H](Cc1ncc[nH]1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000095450375 569367767 /nfs/dbraw/zinc/36/77/67/569367767.db2.gz SKFMXSZLYVYIPB-AWEZNQCLSA-N 0 0 426.926 1.544 50 0 IDAARN COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000095454109 569368227 /nfs/dbraw/zinc/36/82/27/569368227.db2.gz RXVYPPASMKZFTK-UHFFFAOYSA-N 0 0 431.558 1.880 50 0 IDAARN CC(C)(C)S(=O)(=O)CC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000095453335 569368255 /nfs/dbraw/zinc/36/82/55/569368255.db2.gz NSYVTBHRKVJHKA-UHFFFAOYSA-N 0 0 425.551 1.177 50 0 IDAARN COc1ccc(CCNC(=O)Cn2c(CSC)nc3ccccc32)cc1S(N)(=O)=O ZINC000095455577 569368511 /nfs/dbraw/zinc/36/85/11/569368511.db2.gz NCIZAGKYSUJRLS-UHFFFAOYSA-N 0 0 448.570 1.914 50 0 IDAARN CON(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2Cn2ccnn2)ccc1Cl ZINC000095456745 569368820 /nfs/dbraw/zinc/36/88/20/569368820.db2.gz MMRRMFSTVSFPDQ-CQSZACIVSA-N 0 0 427.914 1.808 50 0 IDAARN CN(C)CCN(CC(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000095460532 569369648 /nfs/dbraw/zinc/36/96/48/569369648.db2.gz QHDDXFQCEYHMOJ-UHFFFAOYSA-N 0 0 434.580 1.203 50 0 IDAARN COC(=O)CCN1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[C@@H](C)C1 ZINC000095460658 569369775 /nfs/dbraw/zinc/36/97/75/569369775.db2.gz JCRCERJCYCAREO-HNNXBMFYSA-N 0 0 446.573 1.823 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(C)CC2)CC1 ZINC000095464876 569370508 /nfs/dbraw/zinc/37/05/08/569370508.db2.gz IPEIHWBCFPQXOF-MJGOQNOKSA-N 0 0 430.549 1.437 50 0 IDAARN COC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1cccnc1 ZINC000095465350 569370667 /nfs/dbraw/zinc/37/06/67/569370667.db2.gz MUVXZKLWJNOJTN-RDJZCZTQSA-N 0 0 437.543 1.883 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccc(O)cc2oc1=O ZINC000095471153 569371834 /nfs/dbraw/zinc/37/18/34/569371834.db2.gz SYHRUUMZNXHBAE-UHFFFAOYSA-N 0 0 430.438 1.772 50 0 IDAARN CSCC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000095471287 569371867 /nfs/dbraw/zinc/37/18/67/569371867.db2.gz IZAUTOOZXDSUAR-QWHCGFSZSA-N 0 0 444.604 1.322 50 0 IDAARN CC(C)Cn1nc(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O ZINC000095476052 569372890 /nfs/dbraw/zinc/37/28/90/569372890.db2.gz KANHYVPMGRALOH-UHFFFAOYSA-N 0 0 428.514 1.559 50 0 IDAARN Cc1nc(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000095992256 569378298 /nfs/dbraw/zinc/37/82/98/569378298.db2.gz UKBOPSXCDLFAQF-UTJYPRCQSA-N 0 0 429.403 1.764 50 0 IDAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000096011839 569379876 /nfs/dbraw/zinc/37/98/76/569379876.db2.gz FDWPCBJBVKWANC-UHFFFAOYSA-N 0 0 443.460 1.322 50 0 IDAARN COc1cccc(N2CCN(C(=O)C3CCN(c4cc(-n5cncn5)ncn4)CC3)CC2)c1 ZINC000096105241 569382234 /nfs/dbraw/zinc/38/22/34/569382234.db2.gz LPOOMEABKJFESH-UHFFFAOYSA-N 0 0 448.531 1.631 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3cc(-n4cncn4)ncn3)CC1)CC2 ZINC000096105238 569382264 /nfs/dbraw/zinc/38/22/64/569382264.db2.gz RWSUZKLQTDLONK-UHFFFAOYSA-N 0 0 449.515 1.876 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000096116192 569383673 /nfs/dbraw/zinc/38/36/73/569383673.db2.gz FPGYZFSSIKPTHZ-KRWDZBQOSA-N 0 0 425.441 1.958 50 0 biogenic IDAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124114 569385389 /nfs/dbraw/zinc/38/53/89/569385389.db2.gz MFTAYJVQMTURSK-QGZVFWFLSA-N 0 0 434.504 1.749 50 0 IDAARN O=C(NCc1ccnc(N2CCCC2)c1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096124027 569385415 /nfs/dbraw/zinc/38/54/15/569385415.db2.gz WKFZLVJRXLWAKE-SFHVURJKSA-N 0 0 433.520 1.585 50 0 IDAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124249 569385514 /nfs/dbraw/zinc/38/55/14/569385514.db2.gz CQVSDYAIIFSVOH-UHFFFAOYSA-N 0 0 433.394 1.804 50 0 IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccncc2)CC1 ZINC000096223183 569387302 /nfs/dbraw/zinc/38/73/02/569387302.db2.gz QAJQWJNELMAXMI-NRFANRHFSA-N 0 0 435.528 1.669 50 0 IDAARN COc1ccc(CN2C[C@@H](C(=O)Nc3ccc4ncn(C)c(=O)c4c3)CC2=O)cc1OC ZINC000096223901 569387305 /nfs/dbraw/zinc/38/73/05/569387305.db2.gz AWHKOHYQFUESCQ-HNNXBMFYSA-N 0 0 436.468 1.938 50 0 IDAARN COc1ccc(Cl)cc1NCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000096306694 569392164 /nfs/dbraw/zinc/39/21/64/569392164.db2.gz XMLFXOOIHLQDGZ-UHFFFAOYSA-N 0 0 428.674 1.960 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)c1OC ZINC000096307738 569392175 /nfs/dbraw/zinc/39/21/75/569392175.db2.gz ONKMTBUOMXRUEH-UHFFFAOYSA-N 0 0 443.481 1.410 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2nc(-c3ccc4c(c3)[nH]c(=O)c(=O)n4C)no2)cc1 ZINC000096320593 569394057 /nfs/dbraw/zinc/39/40/57/569394057.db2.gz BFNBENLJAXPSTC-GFCCVEGCSA-N 0 0 441.469 1.625 50 0 IDAARN COCCNC(=O)N1CCN(c2nc3cccnc3n(Cc3ccc(C)cc3)c2=O)CC1 ZINC000096321716 569394204 /nfs/dbraw/zinc/39/42/04/569394204.db2.gz XUVRYWYNTOEVGH-UHFFFAOYSA-N 0 0 436.516 1.626 50 0 IDAARN COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C)n1 ZINC000096322076 569394406 /nfs/dbraw/zinc/39/44/06/569394406.db2.gz NFYGSGRBVPKZBP-UHFFFAOYSA-N 0 0 430.442 1.821 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2C)CC1 ZINC000096323277 569395166 /nfs/dbraw/zinc/39/51/66/569395166.db2.gz LCPPNWRYPVSSQJ-UHFFFAOYSA-N 0 0 440.953 1.911 50 0 IDAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000096323419 569395240 /nfs/dbraw/zinc/39/52/40/569395240.db2.gz IOOKVOCQWWYXKA-LJQANCHMSA-N 0 0 448.545 1.754 50 0 IDAARN CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000096324095 569395755 /nfs/dbraw/zinc/39/57/55/569395755.db2.gz ZSRPQZSXOJYDDL-CYBMUJFWSA-N 0 0 427.548 1.389 50 0 IDAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000096324608 569396019 /nfs/dbraw/zinc/39/60/19/569396019.db2.gz AXROJZHQEMXONO-UHFFFAOYSA-N 0 0 446.515 1.463 50 0 IDAARN COc1ccc(N2Cc3nn(CC(=O)NCc4ccc5ccccc5n4)c(=O)n3C2=O)cc1 ZINC000096335768 569396642 /nfs/dbraw/zinc/39/66/42/569396642.db2.gz DIZGBHBLMBJXAK-UHFFFAOYSA-N 0 0 444.451 1.906 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc43)C2)CC1 ZINC000096343974 569396899 /nfs/dbraw/zinc/39/68/99/569396899.db2.gz IXMNWPVGRNGLLP-LBPRGKRZSA-N 0 0 434.294 1.369 50 0 IDAARN COc1cc(OC)cc(-n2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)c1 ZINC000002466821 569403796 /nfs/dbraw/zinc/40/37/96/569403796.db2.gz WTQYLMVHNGOCHC-AWEZNQCLSA-N 0 0 445.497 1.526 50 0 IDAARN CSc1cccc(N2C[C@H](C(=O)NCCn3cc(-c4nc(C)no4)nn3)CC2=O)c1 ZINC000225583644 569404867 /nfs/dbraw/zinc/40/48/67/569404867.db2.gz MQNMQGCTYIKBIE-CYBMUJFWSA-N 0 0 427.490 1.528 50 0 IDAARN O=C1CCCC(=O)N1CCS(=O)(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225736323 569407826 /nfs/dbraw/zinc/40/78/26/569407826.db2.gz AEQCPGSPYJAQQV-CYBMUJFWSA-N 0 0 435.424 1.422 50 0 IDAARN Cc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000225744433 569407944 /nfs/dbraw/zinc/40/79/44/569407944.db2.gz LWKQAMVXPKLUPM-UHFFFAOYSA-N 0 0 441.473 1.268 50 0 IDAARN O=c1[nH]c2ccc(F)cc2c(=O)n1C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000225763118 569408294 /nfs/dbraw/zinc/40/82/94/569408294.db2.gz ILFPFMCAPZADSM-UHFFFAOYSA-N 0 0 445.472 1.790 50 0 IDAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000299754403 569409063 /nfs/dbraw/zinc/40/90/63/569409063.db2.gz JZMHEXPQRVKICL-IKGGRYGDSA-N 0 0 435.480 1.618 50 0 biogenic IDAARN CCn1c(=O)c2c(nc1N1CCN(C(=O)COc3c(C)cccc3C)CC1)c(C)nn2C ZINC000028559046 569412322 /nfs/dbraw/zinc/41/23/22/569412322.db2.gz FBIGKTKZNGHTAW-UHFFFAOYSA-N 0 0 438.532 1.803 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000002649822 569414680 /nfs/dbraw/zinc/41/46/80/569414680.db2.gz LMAPZNSAVHVHCP-UHFFFAOYSA-N 0 0 446.529 1.741 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000056907949 569427632 /nfs/dbraw/zinc/42/76/32/569427632.db2.gz UUEZWHNENQZNQB-MOPGFXCFSA-N 0 0 446.573 1.976 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cncc(Br)c1 ZINC000029149515 569427652 /nfs/dbraw/zinc/42/76/52/569427652.db2.gz DGVKOSPHMVHDPH-UHFFFAOYSA-N 0 0 446.348 1.857 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000056908011 569427702 /nfs/dbraw/zinc/42/77/02/569427702.db2.gz LKEQLEIYCRLDBX-INIZCTEOSA-N 0 0 433.534 1.687 50 0 IDAARN COC(=O)COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C)CC2)cc1Cl ZINC000226686321 569427794 /nfs/dbraw/zinc/42/77/94/569427794.db2.gz DHCRWSBVDINBNA-UHFFFAOYSA-N 0 0 432.926 1.817 50 0 IDAARN COC(=O)c1ccc(CN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)o1 ZINC000056938956 569427823 /nfs/dbraw/zinc/42/78/23/569427823.db2.gz DJWXTTCAWGMMBY-INIZCTEOSA-N 0 0 436.534 1.561 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000056937706 569427829 /nfs/dbraw/zinc/42/78/29/569427829.db2.gz FHCHWTYIBKOVJK-QGZVFWFLSA-N 0 0 444.623 1.644 50 0 IDAARN COCCCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945565 569427914 /nfs/dbraw/zinc/42/79/14/569427914.db2.gz GBHGYESPTACPNY-LJQANCHMSA-N 0 0 432.496 1.551 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C1=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000056965943 569428678 /nfs/dbraw/zinc/42/86/78/569428678.db2.gz PSLWTSBMDNZKBV-UHFFFAOYSA-N 0 0 426.904 1.874 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056997279 569428788 /nfs/dbraw/zinc/42/87/88/569428788.db2.gz LJXUZJFAEXQORA-UHFFFAOYSA-N 0 0 434.537 1.628 50 0 IDAARN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056997854 569428964 /nfs/dbraw/zinc/42/89/64/569428964.db2.gz SROSTHZEVNKSQB-UHFFFAOYSA-N 0 0 428.464 1.489 50 0 IDAARN COc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000056998052 569428980 /nfs/dbraw/zinc/42/89/80/569428980.db2.gz VDOVWQYFZGCGDH-QZTJIDSGSA-N 0 0 430.482 1.438 50 0 IDAARN CCOc1ccc(OCCNC(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000029325351 569429715 /nfs/dbraw/zinc/42/97/15/569429715.db2.gz AUAOJFWAOGMZGD-UHFFFAOYSA-N 0 0 437.518 1.750 50 0 IDAARN NC(=O)[C@@H]1CC(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)=NN1c1ccccc1 ZINC000029439117 569430358 /nfs/dbraw/zinc/43/03/58/569430358.db2.gz GGPFFBBKNVTIKA-NRFANRHFSA-N 0 0 433.512 1.662 50 0 IDAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2ccccc2F)CC1 ZINC000002951943 569432088 /nfs/dbraw/zinc/43/20/88/569432088.db2.gz NMEHDVADJPZRLB-UHFFFAOYSA-N 0 0 439.491 1.157 50 0 IDAARN O=C(NCCCN1CCCC1=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002959435 569432472 /nfs/dbraw/zinc/43/24/72/569432472.db2.gz FVNCHPZHLNNTSJ-CVEARBPZSA-N 0 0 436.559 1.109 50 0 IDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000002968322 569433181 /nfs/dbraw/zinc/43/31/81/569433181.db2.gz YTVXHNXUOXVTNH-MRXNPFEDSA-N 0 0 439.472 1.709 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415589 569434038 /nfs/dbraw/zinc/43/40/38/569434038.db2.gz ILMWGOUCBPDTTJ-SFHVURJKSA-N 0 0 426.452 1.219 50 0 IDAARN CCc1ccc([C@@H]2NC(=O)N=C(CN3CCN(c4ncccn4)CC3)C2C(=O)OC)cc1 ZINC000057415297 569434075 /nfs/dbraw/zinc/43/40/75/569434075.db2.gz GUKKYKDACGBZBW-FQEVSTJZSA-N 0 0 436.516 1.642 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057414997 569434104 /nfs/dbraw/zinc/43/41/04/569434104.db2.gz FSHDOIMEJGIBTK-SFHVURJKSA-N 0 0 442.907 1.733 50 0 IDAARN COC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057416033 569434137 /nfs/dbraw/zinc/43/41/37/569434137.db2.gz REVGCRZLTFSRNQ-QGZVFWFLSA-N 0 0 430.486 1.580 50 0 IDAARN Cc1cc(NC(=O)Cn2c3ccsc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)no1 ZINC000057428270 569434865 /nfs/dbraw/zinc/43/48/65/569434865.db2.gz FYJXDCMUMVQEJI-UHFFFAOYSA-N 0 0 440.437 1.937 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)c1 ZINC000057520489 569438761 /nfs/dbraw/zinc/43/87/61/569438761.db2.gz PXKYNUHWJQYAAG-UHFFFAOYSA-N 0 0 445.501 1.413 50 0 IDAARN COc1ccc(N[C@@H](C(=O)N(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000057529478 569439206 /nfs/dbraw/zinc/43/92/06/569439206.db2.gz ZATSSUOLLRLFDN-HXUWFJFHSA-N 0 0 433.530 1.958 50 0 IDAARN 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ZINC000067287862 569467304 /nfs/dbraw/zinc/46/73/04/569467304.db2.gz OQLPQJLRVANICE-IBGZPJMESA-N 0 0 431.489 1.705 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)CC1 ZINC000038731524 569468385 /nfs/dbraw/zinc/46/83/85/569468385.db2.gz MDTFJZPXHPGZQQ-CVEARBPZSA-N 0 0 425.576 1.194 50 0 IDAARN Cn1c2ncn(CC(=O)OCc3cc(-c4cc5ccccc5o4)on3)c2c(=O)n(C)c1=O ZINC000038767986 569468971 /nfs/dbraw/zinc/46/89/71/569468971.db2.gz WXPQKADXAGCPEE-UHFFFAOYSA-N 0 0 435.396 1.578 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000038946938 569469603 /nfs/dbraw/zinc/46/96/03/569469603.db2.gz GRFRPIBESVQMRF-OALUTQOASA-N 0 0 437.537 1.272 50 0 IDAARN CCOCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC000008704258 569470322 /nfs/dbraw/zinc/47/03/22/569470322.db2.gz LPWHCFLLVIGFHI-CQSZACIVSA-N 0 0 428.468 1.878 50 0 IDAARN Cn1c2nc3n(c2c(=O)n(CCCO)c1=O)CCCN3c1ccc(Br)cc1 ZINC000008706324 569470504 /nfs/dbraw/zinc/47/05/04/569470504.db2.gz MPHNQUBTFLFZIA-UHFFFAOYSA-N 0 0 434.294 1.583 50 0 IDAARN CCc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 ZINC000008706549 569470534 /nfs/dbraw/zinc/47/05/34/569470534.db2.gz DTCDSJKILATKDG-UHFFFAOYSA-N 0 0 442.479 1.853 50 0 IDAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000008709002 569470723 /nfs/dbraw/zinc/47/07/23/569470723.db2.gz KBCCCLKUOGVKFN-KRWDZBQOSA-N 0 0 443.554 1.784 50 0 IDAARN O=C(CN1CSCC1=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000008709575 569470774 /nfs/dbraw/zinc/47/07/74/569470774.db2.gz VDTKCXMRSRICHH-UHFFFAOYSA-N 0 0 449.510 1.730 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cccc(OC)c2)n(C)c1=O ZINC000008709689 569470835 /nfs/dbraw/zinc/47/08/35/569470835.db2.gz UKAOUTQHXRQAMM-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN CCOCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000008709731 569470836 /nfs/dbraw/zinc/47/08/36/569470836.db2.gz FKIWJCOEILBYRH-CQSZACIVSA-N 0 0 428.468 1.878 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)C2=O ZINC000008719114 569471400 /nfs/dbraw/zinc/47/14/00/569471400.db2.gz PBMVBAKXPIPTPG-VFNWGFHPSA-N 0 0 448.545 1.910 50 0 IDAARN O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000008724032 569471954 /nfs/dbraw/zinc/47/19/54/569471954.db2.gz DVTOKJFONVSLFK-UHFFFAOYSA-N 0 0 426.498 1.823 50 0 IDAARN O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000008756490 569474056 /nfs/dbraw/zinc/47/40/56/569474056.db2.gz GQQPNLXKKDUAJM-MRXNPFEDSA-N 0 0 427.457 1.624 50 0 IDAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000008764457 569474590 /nfs/dbraw/zinc/47/45/90/569474590.db2.gz QYEJYNLGGVATQN-ROUUACIJSA-N 0 0 429.450 1.113 50 0 biogenic IDAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000008764456 569474604 /nfs/dbraw/zinc/47/46/04/569474604.db2.gz QYEJYNLGGVATQN-MSOLQXFVSA-N 0 0 429.450 1.113 50 0 biogenic IDAARN COc1cc2c(c3oc(=O)c(CCC(=O)N(CCO)CCO)c(C)c13)CCC(C)(C)O2 ZINC000008764935 569474669 /nfs/dbraw/zinc/47/46/69/569474669.db2.gz ALCMTTVCNVABAX-UHFFFAOYSA-N 0 0 433.501 1.959 50 0 biogenic IDAARN Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H]4CS(=O)(=O)C[C@@H]4O)c(C)c3cc2c1C ZINC000008765226 569474752 /nfs/dbraw/zinc/47/47/52/569474752.db2.gz CWLPYTGPRICPQL-IRXDYDNUSA-N 0 0 433.482 1.671 50 0 biogenic IDAARN CCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)C1=O ZINC000008769475 569475049 /nfs/dbraw/zinc/47/50/49/569475049.db2.gz JLVFTTRJFKGRSQ-CYBMUJFWSA-N 0 0 434.518 1.079 50 0 IDAARN C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008772671 569475282 /nfs/dbraw/zinc/47/52/82/569475282.db2.gz ZFWBAVWGYFKUDD-VIFPVBQESA-N 0 0 426.834 1.900 50 0 IDAARN CN(C)C(=NNc1ccc([N+](=O)[O-])cc1)P(=O)(N1CCOCC1)N1CCOCC1 ZINC000263621591 569475373 /nfs/dbraw/zinc/47/53/73/569475373.db2.gz SPGSBBOOHPLLPI-UHFFFAOYSA-N 0 0 426.414 1.697 50 0 IDAARN COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)NC1CC1 ZINC000008776466 569475378 /nfs/dbraw/zinc/47/53/78/569475378.db2.gz IHWYQMADDBOIGQ-UHFFFAOYSA-N 0 0 448.453 1.660 50 0 IDAARN Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](CCC(=O)[O-])[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000008790437 569476025 /nfs/dbraw/zinc/47/60/25/569476025.db2.gz BMRYPTQIJUYKGS-HOSCZWGSSA-N 0 0 447.491 1.823 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000008790764 569476085 /nfs/dbraw/zinc/47/60/85/569476085.db2.gz HRLBJLBAUIJCAE-UJAPCULTSA-N 0 0 447.491 1.823 50 0 biogenic IDAARN Cc1ccccc1OCc1nc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n[nH]1 ZINC000008848633 569479207 /nfs/dbraw/zinc/47/92/07/569479207.db2.gz SYCSJWCGGDENRW-UHFFFAOYSA-N 0 0 428.474 1.434 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)N2CCc4ccccc42)c(=O)c3=O)cc1 ZINC000008849375 569479239 /nfs/dbraw/zinc/47/92/39/569479239.db2.gz NNLCZHRJCDAMNN-UHFFFAOYSA-N 0 0 433.468 1.545 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)NCc2ccc(F)cc2)c(=O)c3=O)cc1 ZINC000008849463 569479258 /nfs/dbraw/zinc/47/92/58/569479258.db2.gz IFMXLAKKACNRSF-UHFFFAOYSA-N 0 0 439.447 1.411 50 0 IDAARN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000008853043 569479569 /nfs/dbraw/zinc/47/95/69/569479569.db2.gz HLNVRHRMVBOCHR-BXUZGUMPSA-N 0 0 441.893 1.376 50 0 IDAARN COCCn1c(=O)[nH]c(=O)c2c1nc(CCc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000008861409 569479989 /nfs/dbraw/zinc/47/99/89/569479989.db2.gz PNAJZMBGZWJIOH-UHFFFAOYSA-N 0 0 432.480 1.726 50 0 IDAARN CCCCn1c2ncn(Cc3ccco3)c2c(=O)n(CC(=O)Nc2cc(C)on2)c1=O ZINC000008862507 569480191 /nfs/dbraw/zinc/48/01/91/569480191.db2.gz RUIRDCJIBUBPGU-UHFFFAOYSA-N 0 0 426.433 1.736 50 0 IDAARN CCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3cc(C)no3)CC2)cc1OCC ZINC000040013327 569482557 /nfs/dbraw/zinc/48/25/57/569482557.db2.gz CYWSLLNLIQRABV-UHFFFAOYSA-N 0 0 430.505 1.855 50 0 IDAARN Cc1cc(CN2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CC2)on1 ZINC000040013317 569482568 /nfs/dbraw/zinc/48/25/68/569482568.db2.gz NHGZPTVNQKKCDP-FQEVSTJZSA-N 0 0 434.562 1.939 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(SCCS(=O)(=O)c3ccccc3)nc2)CC1 ZINC000040024296 569482713 /nfs/dbraw/zinc/48/27/13/569482713.db2.gz TWPSTECFKJRHEF-UHFFFAOYSA-N 0 0 441.600 1.584 50 0 IDAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000040040147 569483408 /nfs/dbraw/zinc/48/34/08/569483408.db2.gz MPWBSQYKPKEKNB-CHWSQXEVSA-N 0 0 445.925 1.518 50 0 IDAARN O=C(NCCCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000040058956 569484708 /nfs/dbraw/zinc/48/47/08/569484708.db2.gz YOUDONFWLNPIEZ-UHFFFAOYSA-N 0 0 441.513 1.046 50 0 IDAARN COc1cc(OC)nc(NC(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)n1 ZINC000040068602 569485135 /nfs/dbraw/zinc/48/51/35/569485135.db2.gz NTMWLTCQVCOMLW-HXUWFJFHSA-N 0 0 425.401 1.646 50 0 IDAARN CCOC(=O)C(NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C(=O)OCC ZINC000040069734 569485424 /nfs/dbraw/zinc/48/54/24/569485424.db2.gz WGZITQPGYKMNOP-NSHDSACASA-N 0 0 441.278 1.413 50 0 IDAARN Cc1ccc(-c2cnc(CCC(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1C ZINC000040094542 569487486 /nfs/dbraw/zinc/48/74/86/569487486.db2.gz XIRLDJDDSFXUCF-KRWDZBQOSA-N 0 0 433.530 1.701 50 0 IDAARN CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)Cc1ccc2c(c1)OCO2 ZINC000008936987 569488084 /nfs/dbraw/zinc/48/80/84/569488084.db2.gz HDUVTZFXJOXAKZ-HSZRJFAPSA-N 0 0 438.484 1.822 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000040106423 569488346 /nfs/dbraw/zinc/48/83/46/569488346.db2.gz GEQWDVMUMNCUCB-OAHLLOKOSA-N 0 0 435.571 1.728 50 0 IDAARN O=C(NCc1ccc(-n2cncn2)nc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000040107056 569488414 /nfs/dbraw/zinc/48/84/14/569488414.db2.gz DOGCEPYAOGBJTH-SJORKVTESA-N 0 0 426.477 1.261 50 0 IDAARN Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)n1 ZINC000040107532 569488467 /nfs/dbraw/zinc/48/84/67/569488467.db2.gz IRJZIHVRINPGEW-ICSRJNTNSA-N 0 0 444.557 1.183 50 0 IDAARN O=C(NC1CCN(c2ncccn2)CC1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F ZINC000040108851 569488563 /nfs/dbraw/zinc/48/85/63/569488563.db2.gz BQGDSGXUCOSBIW-UHFFFAOYSA-N 0 0 434.382 1.576 50 0 IDAARN CCc1[nH]c(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c(C)c1C(=O)OC ZINC000040111550 569488862 /nfs/dbraw/zinc/48/88/62/569488862.db2.gz QSLQURLDKFZJBH-UHFFFAOYSA-N 0 0 426.517 1.990 50 0 IDAARN O=C(NCCNC(=O)c1ccc(O)cc1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000040119669 569489408 /nfs/dbraw/zinc/48/94/08/569489408.db2.gz MQDALENXCBWUBV-UHFFFAOYSA-N 0 0 437.543 1.788 50 0 IDAARN CCc1c(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)cnn1-c1ccc(OC)nn1 ZINC000040119725 569489435 /nfs/dbraw/zinc/48/94/35/569489435.db2.gz QBJKVIQARREEHH-UHFFFAOYSA-N 0 0 440.460 1.036 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(CN3CCOC3=O)c2)C[C@H](C)O1 ZINC000040120680 569489493 /nfs/dbraw/zinc/48/94/93/569489493.db2.gz GYTFLQLLKCHAPL-GASCZTMLSA-N 0 0 440.522 1.199 50 0 IDAARN CC(C)(C)NC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000040123153 569489711 /nfs/dbraw/zinc/48/97/11/569489711.db2.gz OVSZZDAEXLDJHD-ZDUSSCGKSA-N 0 0 440.547 1.692 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCn3nc(-c4ccco4)ccc3=O)ccc21 ZINC000008954758 569490069 /nfs/dbraw/zinc/49/00/69/569490069.db2.gz PXXLPKSUGMJMKQ-UHFFFAOYSA-N 0 0 428.470 1.391 50 0 IDAARN CNC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000040152029 569493364 /nfs/dbraw/zinc/49/33/64/569493364.db2.gz KDHBRBMYGNBVLH-LJQANCHMSA-N 0 0 427.482 1.975 50 0 IDAARN O=C(c1cc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c[nH]1)N1CCCC1 ZINC000040153205 569493563 /nfs/dbraw/zinc/49/35/63/569493563.db2.gz LDCRSBBUWFEOHZ-UHFFFAOYSA-N 0 0 437.566 1.129 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)o1 ZINC000040154138 569493692 /nfs/dbraw/zinc/49/36/92/569493692.db2.gz CEFKPOLACMCFIK-UHFFFAOYSA-N 0 0 446.485 1.199 50 0 IDAARN NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](C1=Cc3ccccc3OC1)NS2(=O)=O ZINC000040156511 569494189 /nfs/dbraw/zinc/49/41/89/569494189.db2.gz XNSXHERUQCRLFH-MRXNPFEDSA-N 0 0 427.891 1.493 50 0 IDAARN COc1ccc(CN2CCN(C(=O)CN3CCOCC3)CC2)c(Br)c1OC ZINC000040156916 569494279 /nfs/dbraw/zinc/49/42/79/569494279.db2.gz YYEMXFSPLGRNRS-UHFFFAOYSA-N 0 0 442.354 1.443 50 0 IDAARN Cn1c(NCCCCO)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000008985001 569494739 /nfs/dbraw/zinc/49/47/39/569494739.db2.gz GOUFLTPKSYDKEO-UHFFFAOYSA-N 0 0 426.304 1.973 50 0 IDAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000008987965 569494921 /nfs/dbraw/zinc/49/49/21/569494921.db2.gz NGVSWCBMSIDOAC-OAQYLSRUSA-N 0 0 446.410 1.309 50 0 IDAARN CC(=O)c1cccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)c1 ZINC000009000949 569495971 /nfs/dbraw/zinc/49/59/71/569495971.db2.gz HNDMEDCGOWUOTI-UHFFFAOYSA-N 0 0 429.436 1.843 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000009001605 569496001 /nfs/dbraw/zinc/49/60/01/569496001.db2.gz BUEPSDIEUMWAPH-UHFFFAOYSA-N 0 0 445.435 1.411 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccncc3)c2=O)cc1 ZINC000009001625 569496015 /nfs/dbraw/zinc/49/60/15/569496015.db2.gz UNQBQHMYBRRJBE-UHFFFAOYSA-N 0 0 445.435 1.427 50 0 IDAARN Cc1cc(C)nc(SCCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000009015170 569496737 /nfs/dbraw/zinc/49/67/37/569496737.db2.gz DXACGIXAFLHFBV-UHFFFAOYSA-N 0 0 425.312 1.775 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCO1 ZINC000244983750 569496798 /nfs/dbraw/zinc/49/67/98/569496798.db2.gz IPOJHGIIGWHNFZ-HUUCEWRRSA-N 0 0 429.564 1.093 50 0 IDAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000245020789 569496975 /nfs/dbraw/zinc/49/69/75/569496975.db2.gz MHCDJDCTWVHRFL-HNNXBMFYSA-N 0 0 426.473 1.700 50 0 IDAARN COc1ccc(NC(=O)C(=O)NCCc2ccc(O)cc2)cc1N1CCCCS1(=O)=O ZINC000040266997 569497306 /nfs/dbraw/zinc/49/73/06/569497306.db2.gz YMJBVJVMXVQZLS-UHFFFAOYSA-N 0 0 447.513 1.628 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1OC ZINC000009037407 569497340 /nfs/dbraw/zinc/49/73/40/569497340.db2.gz MURWNBWXOBYYSE-ZDUSSCGKSA-N 0 0 434.470 1.764 50 0 IDAARN CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCCc2ccccc2OC)n1 ZINC000009038144 569497424 /nfs/dbraw/zinc/49/74/24/569497424.db2.gz JOOGZRYSSYOLCF-UHFFFAOYSA-N 0 0 438.488 1.523 50 0 IDAARN COCCNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000040286956 569498152 /nfs/dbraw/zinc/49/81/52/569498152.db2.gz ZKLDTXOYVZWTGM-SFTDATJTSA-N 0 0 425.485 1.485 50 0 IDAARN COc1c2c(c(S(=O)(=O)NCc3ccc4c(c3)OCO4)c3c1CN(C)CC3)OCO2 ZINC000040309878 569498689 /nfs/dbraw/zinc/49/86/89/569498689.db2.gz SWUIJHXARZBYIF-UHFFFAOYSA-N 0 0 434.470 1.619 50 0 biogenic IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)C2)cc1 ZINC000009059864 569499391 /nfs/dbraw/zinc/49/93/91/569499391.db2.gz QSFBACJBHIVNRU-OAHLLOKOSA-N 0 0 441.513 1.983 50 0 IDAARN Cc1cn2c3c(nc2n1CCCn1ccnc1)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000009060229 569499409 /nfs/dbraw/zinc/49/94/09/569499409.db2.gz KCHMUFUARSKQGK-UHFFFAOYSA-N 0 0 435.463 1.932 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccn1 ZINC000009060971 569499530 /nfs/dbraw/zinc/49/95/30/569499530.db2.gz QGKMFPNKXSUSQB-QGZVFWFLSA-N 0 0 430.530 1.305 50 0 IDAARN CCOC(=O)C1=C(CN2Cc3ccccc3C[C@H]2C(=O)NC)NC(=O)N[C@H]1c1ccco1 ZINC000245225036 569499553 /nfs/dbraw/zinc/49/95/53/569499553.db2.gz LDAZPUDDUJMEIJ-PXNSSMCTSA-N 0 0 438.484 1.624 50 0 IDAARN COc1ccc(OC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000009063826 569499596 /nfs/dbraw/zinc/49/95/96/569499596.db2.gz FROJCSVYJNIEKT-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(c3ccccc3NC2=O)C(C(=O)OCC)=C(N)O1 ZINC000009076321 569500269 /nfs/dbraw/zinc/50/02/69/569500269.db2.gz ABTMEVQITDTIBH-QFIPXVFZSA-N 0 0 444.440 1.411 50 0 IDAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NC[C@H]4CCCO4)C3)ccc21 ZINC000245238123 569500456 /nfs/dbraw/zinc/50/04/56/569500456.db2.gz UPMURYDHFPTVRW-RBUKOAKNSA-N 0 0 449.573 1.682 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)cc2C[C@H]1C ZINC000245237546 569500497 /nfs/dbraw/zinc/50/04/97/569500497.db2.gz MTHJBYFAVDVMMB-CHWSQXEVSA-N 0 0 449.554 1.771 50 0 IDAARN COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000009094986 569501308 /nfs/dbraw/zinc/50/13/08/569501308.db2.gz YONSTWJRDJGSTO-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2C[C@H]1C ZINC000245257899 569501569 /nfs/dbraw/zinc/50/15/69/569501569.db2.gz HBDIIQHVEKSJNN-KYJSFNMBSA-N 0 0 427.526 1.954 50 0 IDAARN COCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1c1ccc(OC)cc1OC ZINC000245279056 569502001 /nfs/dbraw/zinc/50/20/01/569502001.db2.gz BDFITNPPYUXNGW-PMACEKPBSA-N 0 0 448.541 1.871 50 0 IDAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000009113330 569502534 /nfs/dbraw/zinc/50/25/34/569502534.db2.gz HSCWTEDIUNSJOJ-LBPRGKRZSA-N 0 0 435.329 1.478 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009120026 569503686 /nfs/dbraw/zinc/50/36/86/569503686.db2.gz LBQKUPYSWJWNMR-INIZCTEOSA-N 0 0 433.486 1.865 50 0 IDAARN CCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)s1 ZINC000009120052 569503743 /nfs/dbraw/zinc/50/37/43/569503743.db2.gz RQIZMACWSSFYIP-UHFFFAOYSA-N 0 0 438.531 1.911 50 0 IDAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(=O)n(C)c1=O ZINC000009120319 569503872 /nfs/dbraw/zinc/50/38/72/569503872.db2.gz ZAFKWKUMLFTHCE-UHFFFAOYSA-N 0 0 429.807 1.757 50 0 IDAARN O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000009120497 569503882 /nfs/dbraw/zinc/50/38/82/569503882.db2.gz GSWAFQCQRXZSQB-UHFFFAOYSA-N 0 0 440.861 1.919 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 ZINC000009121039 569504119 /nfs/dbraw/zinc/50/41/19/569504119.db2.gz JJTGGNDSOJZKQO-OAHLLOKOSA-N 0 0 447.469 1.421 50 0 IDAARN O=C(c1ccccc1)N1CSC[C@@H]1C(=O)N1CCCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000069384779 569504144 /nfs/dbraw/zinc/50/41/44/569504144.db2.gz KNNPMKHBTGIQOH-GOSISDBHSA-N 0 0 440.525 1.265 50 0 IDAARN Nc1nc(COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nc(Nc2ccccc2)n1 ZINC000009127170 569505121 /nfs/dbraw/zinc/50/51/21/569505121.db2.gz UMFVXURILMCQTL-UHFFFAOYSA-N 0 0 434.865 1.855 50 0 IDAARN O=C(CSc1cccc[n+]1[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009128998 569505639 /nfs/dbraw/zinc/50/56/39/569505639.db2.gz WQYQSRJPVOLQLI-UHFFFAOYSA-N 0 0 427.935 1.599 50 0 IDAARN CN1C(=O)N(C)C(=O)C2(Cc3cc(NC(=S)NC4CC4)ccc3N3CCC[C@H]32)C1=O ZINC000009129095 569505674 /nfs/dbraw/zinc/50/56/74/569505674.db2.gz RZFMYXHSKOSWAU-INIZCTEOSA-N 0 0 427.530 1.697 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)c1 ZINC000040478190 569506706 /nfs/dbraw/zinc/50/67/06/569506706.db2.gz FLXOJINUFVNXGY-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN O=c1c2ccccc2c(=O)c1=NNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009141545 569507270 /nfs/dbraw/zinc/50/72/70/569507270.db2.gz DCQUXMMHACTDTH-UHFFFAOYSA-N 0 0 433.873 1.038 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)NCCc1cccs1)c(=O)n2Cc1ccccc1 ZINC000009156726 569508376 /nfs/dbraw/zinc/50/83/76/569508376.db2.gz CAHZQCSPQFXQFW-UHFFFAOYSA-N 0 0 437.525 1.848 50 0 IDAARN COC(=O)c1cc(NC(=O)CSc2nnc(C(F)(F)F)n2N)cc(C(=O)OC)c1 ZINC000009167732 569509080 /nfs/dbraw/zinc/50/90/80/569509080.db2.gz UWLVAYLYOKUAAU-UHFFFAOYSA-N 0 0 433.368 1.315 50 0 IDAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009184514 569509941 /nfs/dbraw/zinc/50/99/41/569509941.db2.gz QXBGUBKPPKYLJO-UYAOXDASSA-N 0 0 448.566 1.414 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000009195880 569511011 /nfs/dbraw/zinc/51/10/11/569511011.db2.gz ZPBBBYDTFPDTKS-DOPJRALCSA-N 0 0 427.457 1.857 50 0 IDAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 ZINC000009218362 569512358 /nfs/dbraw/zinc/51/23/58/569512358.db2.gz CDNRNUWIXGRLCB-IBGZPJMESA-N 0 0 427.530 1.494 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC[C@@H]1COc2ccccc2O1 ZINC000009222655 569512780 /nfs/dbraw/zinc/51/27/80/569512780.db2.gz PVPJGPIJYOPZTN-CQSZACIVSA-N 0 0 438.527 1.268 50 0 IDAARN NC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCCCc1ccccc1 ZINC000009244917 569515241 /nfs/dbraw/zinc/51/52/41/569515241.db2.gz JYKHCNBFZGWLDD-GOSISDBHSA-N 0 0 445.903 1.606 50 0 IDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cnc3ccccc3n2)c(=O)[nH]c1=O ZINC000009245361 569515344 /nfs/dbraw/zinc/51/53/44/569515344.db2.gz ZLJBYKCPQCIMIU-UHFFFAOYSA-N 0 0 446.467 1.555 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000009245609 569515368 /nfs/dbraw/zinc/51/53/68/569515368.db2.gz IPNGKNNXPXEUDT-LJQANCHMSA-N 0 0 445.541 1.601 50 0 IDAARN COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(S(N)(=O)=O)cc2)C3)cc1 ZINC000009252580 569516051 /nfs/dbraw/zinc/51/60/51/569516051.db2.gz ZXYOTYDEJLGSII-SFHVURJKSA-N 0 0 428.470 1.340 50 0 IDAARN CN(C(=O)CSC(=S)N1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009255705 569516640 /nfs/dbraw/zinc/51/66/40/569516640.db2.gz ZEYSUZUSNXQTKE-UHFFFAOYSA-N 0 0 433.559 1.244 50 0 IDAARN COc1cc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)cc(OC)c1OC ZINC000009274698 569518256 /nfs/dbraw/zinc/51/82/56/569518256.db2.gz PJVKXDLPKJGRNW-UHFFFAOYSA-N 0 0 438.396 1.997 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000009283121 569518815 /nfs/dbraw/zinc/51/88/15/569518815.db2.gz IYZGRZILDQCXPV-UHFFFAOYSA-N 0 0 446.437 1.764 50 0 IDAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000009283728 569518896 /nfs/dbraw/zinc/51/88/96/569518896.db2.gz YDOKUENNWPQLGS-AWEZNQCLSA-N 0 0 440.481 1.293 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2ncn3nc(-c4ccc(OC)cc4)cc3c2=O)C1 ZINC000009287204 569519261 /nfs/dbraw/zinc/51/92/61/569519261.db2.gz CWLGWXDCDDUKRA-INIZCTEOSA-N 0 0 439.472 1.368 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccc2c(c1)OCO2 ZINC000009301004 569520711 /nfs/dbraw/zinc/52/07/11/569520711.db2.gz CWUBRQDZGCHWDW-UHFFFAOYSA-N 0 0 437.474 1.132 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NC(C)(C)CO ZINC000009304704 569521188 /nfs/dbraw/zinc/52/11/88/569521188.db2.gz LEWRMYOIEMOANN-DJJJIMSYSA-N 0 0 445.516 1.782 50 0 IDAARN CCNC(=O)NC(=O)[C@H](C)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000009313715 569521970 /nfs/dbraw/zinc/52/19/70/569521970.db2.gz OUPLQZTYGORCOM-AWEZNQCLSA-N 0 0 426.539 1.906 50 0 IDAARN COc1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1=O ZINC000009315388 569522110 /nfs/dbraw/zinc/52/21/10/569522110.db2.gz IFMVEMSLKMEKIC-HNNXBMFYSA-N 0 0 449.554 1.643 50 0 IDAARN COc1ccc(C(=O)OCC(=O)N2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000009315753 569522195 /nfs/dbraw/zinc/52/21/95/569522195.db2.gz VNKTWZCQSNSGDI-HNNXBMFYSA-N 0 0 440.518 1.131 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)Cn3nnc(COc4ccccc4)n3)CC2)c(F)c1 ZINC000009322102 569522614 /nfs/dbraw/zinc/52/26/14/569522614.db2.gz NPBUEDFRYQEDFF-UHFFFAOYSA-N 0 0 438.463 1.943 50 0 IDAARN Cc1nn(Cc2nc(N)nc(Nc3ccccc3)n2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000009338586 569523666 /nfs/dbraw/zinc/52/36/66/569523666.db2.gz JEZCNASHUOIZQU-UHFFFAOYSA-N 0 0 444.521 1.080 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1cccnc1 ZINC000009344667 569524015 /nfs/dbraw/zinc/52/40/15/569524015.db2.gz OJCQWMFVTLYXRB-OAHLLOKOSA-N 0 0 434.493 1.766 50 0 IDAARN Cn1c(CCC(=O)NC2=NCCS2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000009350373 569524773 /nfs/dbraw/zinc/52/47/73/569524773.db2.gz UOKTVFSAVNXMAH-UHFFFAOYSA-N 0 0 435.575 1.900 50 0 IDAARN Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 ZINC000069947903 569525022 /nfs/dbraw/zinc/52/50/22/569525022.db2.gz ADQPQSIMGWJIJA-KRWDZBQOSA-N 0 0 426.521 1.961 50 0 IDAARN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)n1 ZINC000069950439 569525289 /nfs/dbraw/zinc/52/52/89/569525289.db2.gz SPDACXCLQHYZKC-CQSZACIVSA-N 0 0 430.486 1.760 50 0 IDAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1C(=O)N1CCCCC1 ZINC000069951033 569525400 /nfs/dbraw/zinc/52/54/00/569525400.db2.gz VNESAFWUAGIGNT-UHFFFAOYSA-N 0 0 426.498 1.990 50 0 IDAARN O=C(COc1cccc(-n2cnnn2)c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009366560 569526276 /nfs/dbraw/zinc/52/62/76/569526276.db2.gz AJYQCMGBMJQMGL-SFHVURJKSA-N 0 0 427.486 1.257 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000009377490 569527523 /nfs/dbraw/zinc/52/75/23/569527523.db2.gz XYCDJDAUQCQOEC-SFHVURJKSA-N 0 0 449.504 1.994 50 0 IDAARN O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000070009675 569528068 /nfs/dbraw/zinc/52/80/68/569528068.db2.gz RTVJVNHMGREPBO-UHFFFAOYSA-N 0 0 429.473 1.792 50 0 IDAARN CC(C)c1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000009382354 569528300 /nfs/dbraw/zinc/52/83/00/569528300.db2.gz BKLIPRUMHBNOSH-UHFFFAOYSA-N 0 0 443.485 1.610 50 0 IDAARN Cn1c2[nH]c(CCC(=O)Nc3ccc(-n4cnc5ccccc54)cc3)nc2c(=O)[nH]c1=O ZINC000070013040 569528484 /nfs/dbraw/zinc/52/84/84/569528484.db2.gz DFHLQMBGUPSNNZ-UHFFFAOYSA-N 0 0 429.440 1.860 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NC[C@H]4CCCO4)CC3)cc2C[C@H]1C ZINC000009397018 569529318 /nfs/dbraw/zinc/52/93/18/569529318.db2.gz CHKIUYJMPYYEFU-DNVCBOLYSA-N 0 0 449.573 1.680 50 0 IDAARN C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)c1ccccc1 ZINC000009407867 569530325 /nfs/dbraw/zinc/53/03/25/569530325.db2.gz YRDSSOJFKKTHGA-CQSZACIVSA-N 0 0 429.498 1.278 50 0 IDAARN Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 ZINC000009407862 569530347 /nfs/dbraw/zinc/53/03/47/569530347.db2.gz JAZXBFSIOVYTTD-UHFFFAOYSA-N 0 0 429.498 1.657 50 0 IDAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000009407843 569530353 /nfs/dbraw/zinc/53/03/53/569530353.db2.gz SUUAQSMINUTGJB-UHFFFAOYSA-N 0 0 431.470 1.048 50 0 IDAARN Cc1cccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1 ZINC000009407897 569530380 /nfs/dbraw/zinc/53/03/80/569530380.db2.gz XQDAZXGMNICIBK-UHFFFAOYSA-N 0 0 443.525 1.068 50 0 IDAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000009407890 569530410 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CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccnn2Cc2ccccn2)cc1 ZINC000009467445 569538356 /nfs/dbraw/zinc/53/83/56/569538356.db2.gz GLXMLQIQYQHHOA-UHFFFAOYSA-N 0 0 442.501 1.544 50 0 IDAARN CC(C)c1ccc(-c2nnc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)cc1 ZINC000009467856 569538552 /nfs/dbraw/zinc/53/85/52/569538552.db2.gz NFRAKLDFYXWGSA-UHFFFAOYSA-N 0 0 439.501 1.714 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)OCC(=O)c2ccc(OC)cc2OC)nc1N ZINC000009469507 569538804 /nfs/dbraw/zinc/53/88/04/569538804.db2.gz WMMDCZDSAOWLHG-UHFFFAOYSA-N 0 0 435.458 1.771 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1nccs1 ZINC000009483336 569539551 /nfs/dbraw/zinc/53/95/51/569539551.db2.gz LYDNZRLPIFSTDF-LBPRGKRZSA-N 0 0 442.950 1.952 50 0 IDAARN CSCC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009486822 569539625 /nfs/dbraw/zinc/53/96/25/569539625.db2.gz IZAUTOOZXDSUAR-STQMWFEESA-N 0 0 444.604 1.322 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000009486697 569539637 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ZINC000009639448 569555238 /nfs/dbraw/zinc/55/52/38/569555238.db2.gz TULICITXUOYLRX-UHFFFAOYSA-N 0 0 440.481 1.657 50 0 IDAARN CCOC(=O)C1=C(COC(=O)c2cnc(C)cn2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000009644408 569555998 /nfs/dbraw/zinc/55/59/98/569555998.db2.gz HSLQCXVJXLSYNC-SFHVURJKSA-N 0 0 426.429 1.822 50 0 IDAARN COc1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1OC ZINC000009660473 569556831 /nfs/dbraw/zinc/55/68/31/569556831.db2.gz ODEHLIVXHHJUAJ-UHFFFAOYSA-N 0 0 431.470 1.851 50 0 IDAARN COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000009661016 569556990 /nfs/dbraw/zinc/55/69/90/569556990.db2.gz WWSYCQXSSYWHBP-UHFFFAOYSA-N 0 0 445.497 1.915 50 0 IDAARN COc1ccc(CC(=O)Nc2nnc(C3CC3)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000009664725 569557487 /nfs/dbraw/zinc/55/74/87/569557487.db2.gz XLYBPZRBFSEVCL-UHFFFAOYSA-N 0 0 438.531 1.626 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009671906 569558667 /nfs/dbraw/zinc/55/86/67/569558667.db2.gz 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COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000009688651 569560831 /nfs/dbraw/zinc/56/08/31/569560831.db2.gz LSMWYLFYDQQQLU-OAHLLOKOSA-N 0 0 445.497 1.847 50 0 IDAARN Cc1nn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C)c1S(=O)(=O)N(C)C ZINC000009691417 569561022 /nfs/dbraw/zinc/56/10/22/569561022.db2.gz CUXLNCLWIVMPSF-QGZVFWFLSA-N 0 0 448.545 1.885 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009703334 569561303 /nfs/dbraw/zinc/56/13/03/569561303.db2.gz PMJUPTQFYKUTDB-HNNXBMFYSA-N 0 0 448.497 1.957 50 0 IDAARN CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)o1 ZINC000009707607 569561625 /nfs/dbraw/zinc/56/16/25/569561625.db2.gz LPPZUHGOOQOIEV-UHFFFAOYSA-N 0 0 426.410 1.375 50 0 IDAARN CC(=O)N1CCN(C(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)CC1 ZINC000009708309 569561915 /nfs/dbraw/zinc/56/19/15/569561915.db2.gz PSXZGHFUCFXPEE-LJQANCHMSA-N 0 0 426.542 1.659 50 0 IDAARN O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000070894645 569562006 /nfs/dbraw/zinc/56/20/06/569562006.db2.gz ZMZQEGVEWGXNRT-UHFFFAOYSA-N 0 0 449.511 1.816 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(OC)c(Cl)c2)n(C)c1=O ZINC000009713099 569562506 /nfs/dbraw/zinc/56/25/06/569562506.db2.gz DMTRQKFKJDXSKP-UHFFFAOYSA-N 0 0 445.863 1.672 50 0 IDAARN O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000070902491 569562585 /nfs/dbraw/zinc/56/25/85/569562585.db2.gz UGBHUQDQMYRHFW-UHFFFAOYSA-N 0 0 434.562 1.605 50 0 IDAARN CSc1ccccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000070902629 569562591 /nfs/dbraw/zinc/56/25/91/569562591.db2.gz DBVPAQRDECLKBC-UHFFFAOYSA-N 0 0 448.570 1.959 50 0 IDAARN COc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)cc1 ZINC000009713326 569562594 /nfs/dbraw/zinc/56/25/94/569562594.db2.gz WGNGVLUFWOQBFY-UHFFFAOYSA-N 0 0 444.451 1.300 50 0 IDAARN CN(C(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000009715508 569563103 /nfs/dbraw/zinc/56/31/03/569563103.db2.gz 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CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1N1CCOCC1 ZINC000009729363 569564236 /nfs/dbraw/zinc/56/42/36/569564236.db2.gz COULEMJASMHCTE-AWEZNQCLSA-N 0 0 430.534 1.991 50 0 IDAARN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OC)cc3)c(=O)n12 ZINC000009730547 569564460 /nfs/dbraw/zinc/56/44/60/569564460.db2.gz VHLUQZNUIQOUOE-ZBZZQJLTSA-N 0 0 436.489 1.868 50 0 IDAARN Cc1csc(=O)n1CC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009740303 569565115 /nfs/dbraw/zinc/56/51/15/569565115.db2.gz XECSUCRXFTUZKL-UHFFFAOYSA-N 0 0 438.527 1.819 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCCc1ccco1 ZINC000009741675 569565296 /nfs/dbraw/zinc/56/52/96/569565296.db2.gz AWCFYYFGQKHJIG-HXUWFJFHSA-N 0 0 431.514 1.701 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccco1 ZINC000009744354 569565590 /nfs/dbraw/zinc/56/55/90/569565590.db2.gz ZOXDLMOCRSLDDO-INIZCTEOSA-N 0 0 437.493 1.785 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccco1 ZINC000009747008 569565783 /nfs/dbraw/zinc/56/57/83/569565783.db2.gz UKIGZXUIBHKPBF-CQSZACIVSA-N 0 0 425.532 1.707 50 0 IDAARN CCn1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1N1CCOCC1 ZINC000009749012 569565941 /nfs/dbraw/zinc/56/59/41/569565941.db2.gz YMTBZHWJBQVOKU-UHFFFAOYSA-N 0 0 430.534 1.992 50 0 IDAARN CN(c1ccc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1)S(C)(=O)=O ZINC000009762610 569566496 /nfs/dbraw/zinc/56/64/96/569566496.db2.gz CXJGXBJJVODSOD-OAQYLSRUSA-N 0 0 443.481 1.495 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000009766577 569566865 /nfs/dbraw/zinc/56/68/65/569566865.db2.gz LHGVOANAUXJEQK-OAQYLSRUSA-N 0 0 442.497 1.583 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000009767799 569566927 /nfs/dbraw/zinc/56/69/27/569566927.db2.gz XMMOUICWJHFGGG-UHFFFAOYSA-N 0 0 449.573 1.567 50 0 IDAARN CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccco3)CC2)cc1 ZINC000009779402 569567382 /nfs/dbraw/zinc/56/73/82/569567382.db2.gz BGEWDATWBJCJLM-UHFFFAOYSA-N 0 0 433.530 1.885 50 0 IDAARN CN(C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009794952 569568375 /nfs/dbraw/zinc/56/83/75/569568375.db2.gz VJANDOXKNSOQCY-QVKFZJNVSA-N 0 0 429.498 1.252 50 0 IDAARN NC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 ZINC000009805937 569568846 /nfs/dbraw/zinc/56/88/46/569568846.db2.gz NSUXFXSYJQVYLQ-SXGWCWSVSA-N 0 0 428.470 1.022 50 0 IDAARN O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000009806031 569568853 /nfs/dbraw/zinc/56/88/53/569568853.db2.gz VSPVNBLLDKQCJT-GOSISDBHSA-N 0 0 449.960 1.968 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000009806192 569568892 /nfs/dbraw/zinc/56/88/92/569568892.db2.gz MEBYOGOWHVOUOE-LJQANCHMSA-N 0 0 447.532 1.762 50 0 IDAARN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 ZINC000009822345 569569489 /nfs/dbraw/zinc/56/94/89/569569489.db2.gz QDDPRAIJRMKPMY-UHFFFAOYSA-N 0 0 430.490 1.383 50 0 IDAARN COCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000009827551 569569654 /nfs/dbraw/zinc/56/96/54/569569654.db2.gz MDLVQLNRLYPPLE-UHFFFAOYSA-N 0 0 446.451 1.888 50 0 IDAARN O=C(CSc1ncc(CO)n1CC(=O)NC1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000009827590 569569696 /nfs/dbraw/zinc/56/96/96/569569696.db2.gz YXTPMNVGMCHOIG-UHFFFAOYSA-N 0 0 446.529 1.936 50 0 IDAARN NC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1 ZINC000009827601 569569700 /nfs/dbraw/zinc/56/97/00/569569700.db2.gz QRSVCZWSIDLTJV-UHFFFAOYSA-N 0 0 431.518 1.264 50 0 IDAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000009833906 569570509 /nfs/dbraw/zinc/57/05/09/569570509.db2.gz JLHCTKSDBMBRRE-QAPCUYQASA-N 0 0 434.452 1.587 50 0 IDAARN C[C@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cc2NC1=O ZINC000009834470 569570571 /nfs/dbraw/zinc/57/05/71/569570571.db2.gz WNWNWKKXHLKRIG-IPQOISQHSA-N 0 0 436.424 1.574 50 0 IDAARN C[C@@H]1C[C@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)O1 ZINC000009871011 569572369 /nfs/dbraw/zinc/57/23/69/569572369.db2.gz KMBMWDXHEFUZNW-RISCZKNCSA-N 0 0 425.488 1.554 50 0 IDAARN O=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000009885497 569572915 /nfs/dbraw/zinc/57/29/15/569572915.db2.gz FJNIRTYCJATWOD-UHFFFAOYSA-N 0 0 445.497 1.958 50 0 IDAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000071279711 569573544 /nfs/dbraw/zinc/57/35/44/569573544.db2.gz ZTDFGGWUBKMOTB-AWEZNQCLSA-N 0 0 436.921 1.646 50 0 IDAARN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000009961345 569575640 /nfs/dbraw/zinc/57/56/40/569575640.db2.gz VGVOSQSMEHRKIW-UHFFFAOYSA-N 0 0 444.513 1.059 50 0 IDAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)c1nc3nc(C)cc(C)n3n1)CCC2 ZINC000009961729 569575659 /nfs/dbraw/zinc/57/56/59/569575659.db2.gz HSEPOSJALWNNFE-UHFFFAOYSA-N 0 0 429.458 1.873 50 0 IDAARN CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O ZINC000009963361 569575752 /nfs/dbraw/zinc/57/57/52/569575752.db2.gz YWYGUHODJSMVNU-UHFFFAOYSA-N 0 0 438.506 1.247 50 0 IDAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009963407 569575810 /nfs/dbraw/zinc/57/58/10/569575810.db2.gz FFPXYJXPCUBVPQ-UHFFFAOYSA-N 0 0 436.555 1.525 50 0 IDAARN Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000009981448 569576485 /nfs/dbraw/zinc/57/64/85/569576485.db2.gz PWEZAMXIPIWRQJ-INIZCTEOSA-N 0 0 431.489 1.874 50 0 IDAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000010022378 569577255 /nfs/dbraw/zinc/57/72/55/569577255.db2.gz QRXNTTQWUQJTRP-UHFFFAOYSA-N 0 0 431.514 1.693 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000010031990 569577322 /nfs/dbraw/zinc/57/73/22/569577322.db2.gz RFTXRACUOYPDLU-QHCPKHFHSA-N 0 0 438.484 1.507 50 0 IDAARN COc1ccc(NCCCn2c(C)cn3c2nc2c3c(=O)n(C)c(=O)n2C)c(OC)c1 ZINC000010049551 569577528 /nfs/dbraw/zinc/57/75/28/569577528.db2.gz IYUNHESMQXFXIB-UHFFFAOYSA-N 0 0 426.477 1.514 50 0 IDAARN CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000010228514 569579287 /nfs/dbraw/zinc/57/92/87/569579287.db2.gz RNEXEXCQZZVEEE-QGZVFWFLSA-N 0 0 430.530 1.905 50 0 IDAARN Cc1cn2c3c(nc2n1-c1ccc(S(N)(=O)=O)cc1)n(C)c(=O)n(CCC(C)C)c3=O ZINC000010233452 569579596 /nfs/dbraw/zinc/57/95/96/569579596.db2.gz MIUWSMUHZKOPRK-UHFFFAOYSA-N 0 0 444.517 1.141 50 0 IDAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccncc2)CS(=O)(=O)C3)cc1 ZINC000010250511 569579785 /nfs/dbraw/zinc/57/97/85/569579785.db2.gz LKLFPWLFBAEWBZ-UHFFFAOYSA-N 0 0 425.470 1.259 50 0 IDAARN O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000010251851 569579829 /nfs/dbraw/zinc/57/98/29/569579829.db2.gz ZTLUZXFMEUPFOW-AWEZNQCLSA-N 0 0 432.415 1.845 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271862 569580088 /nfs/dbraw/zinc/58/00/88/569580088.db2.gz XLXYMYNXVHVRPR-UHFFFAOYSA-N 0 0 435.362 1.639 50 0 IDAARN Cc1cccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(N)=O)c(=O)n2C)c1C ZINC000010271924 569580114 /nfs/dbraw/zinc/58/01/14/569580114.db2.gz YSNJOHWDJKQHEV-UHFFFAOYSA-N 0 0 442.479 1.908 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)cc1C ZINC000010274153 569580333 /nfs/dbraw/zinc/58/03/33/569580333.db2.gz ZSUJDYRHKBJHPF-QGZVFWFLSA-N 0 0 441.532 1.481 50 0 IDAARN COc1cc(-c2nnn(CC(=O)NCc3ccc4c(c3)OCO4)n2)cc(OC)c1OC ZINC000010336139 569581130 /nfs/dbraw/zinc/58/11/30/569581130.db2.gz YPTNQFYUDOFDHQ-UHFFFAOYSA-N 0 0 427.417 1.411 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c3c(nc2N2CCC[C@H](C)C2)n(C)c(=O)n(C)c3=O)c1 ZINC000010386223 569581755 /nfs/dbraw/zinc/58/17/55/569581755.db2.gz QLUOCOAVABRVFQ-DLBZAZTESA-N 0 0 441.532 1.418 50 0 IDAARN CN(CCCNC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1)S(C)(=O)=O ZINC000071806088 569581830 /nfs/dbraw/zinc/58/18/30/569581830.db2.gz DPAABTVBBMJBRG-UHFFFAOYSA-N 0 0 426.926 1.953 50 0 IDAARN COC(=O)C1CCN(C(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(CC(C)C)c2=O)CC1 ZINC000010488792 569582516 /nfs/dbraw/zinc/58/25/16/569582516.db2.gz 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CCOC(=O)c1ccccc1NC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1 ZINC000077154377 569585717 /nfs/dbraw/zinc/58/57/17/569585717.db2.gz OZDSJXQCFIIQNG-UHFFFAOYSA-N 0 0 427.505 1.912 50 0 IDAARN Cc1cc(C)n(-c2ccc(C(=O)NCCNC(=O)c3ccc(NC(=O)C4CC4)cc3)nn2)n1 ZINC000077197152 569586130 /nfs/dbraw/zinc/58/61/30/569586130.db2.gz QLWPTYXDJDILBE-UHFFFAOYSA-N 0 0 447.499 1.787 50 0 IDAARN Cc1nccn1-c1ccc(=O)n(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 ZINC000077197020 569586170 /nfs/dbraw/zinc/58/61/70/569586170.db2.gz MMFGOCBQPJOZQN-SFHVURJKSA-N 0 0 434.500 1.524 50 0 IDAARN COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000077200059 569586343 /nfs/dbraw/zinc/58/63/43/569586343.db2.gz PSYGWEHMRBGPDS-QGZVFWFLSA-N 0 0 425.482 1.128 50 0 IDAARN Cc1ccsc1[C@H](O)CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200840 569586543 /nfs/dbraw/zinc/58/65/43/569586543.db2.gz AYRSOFAAKXEPBY-MRXNPFEDSA-N 0 0 430.573 1.998 50 0 IDAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CN3CCOCC3)C2=O)cc1OC ZINC000019991029 569587031 /nfs/dbraw/zinc/58/70/31/569587031.db2.gz AZORFXVNRCKAPP-HSZRJFAPSA-N 0 0 426.469 1.801 50 0 IDAARN CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)N3CCN(C)CC3)ccc21 ZINC000033263078 569587437 /nfs/dbraw/zinc/58/74/37/569587437.db2.gz DONYIGASHPLECZ-LJQANCHMSA-N 0 0 434.566 1.159 50 0 IDAARN COCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccc(F)c(F)c3)cc21 ZINC000037512417 569588078 /nfs/dbraw/zinc/58/80/78/569588078.db2.gz NIXLDFGKLKWKIX-UHFFFAOYSA-N 0 0 434.395 1.715 50 0 IDAARN CCOC(=O)C1C(=O)[C@H](C(=O)OCC)[C@@H]2C(C(=O)OCC)C(=O)[C@H](C(=O)OCC)[C@@H]12 ZINC000101092822 569588146 /nfs/dbraw/zinc/58/81/46/569588146.db2.gz WVVBBPFQBUNSER-ZHSDAYTOSA-N 0 0 426.418 1.355 50 0 IDAARN NC(=O)c1ccc(NC(=O)Cn2cnc3ccc(I)cc3c2=O)cc1 ZINC000000624894 193860522 /nfs/dbraw/zinc/86/05/22/193860522.db2.gz JSKDBJLTQBAFMM-UHFFFAOYSA-N 0 0 448.220 1.739 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccccn2)c1=O)N1CCCc2ccccc21 ZINC000009001005 132226443 /nfs/dbraw/zinc/22/64/43/132226443.db2.gz RKRZNAVXLSWKHT-UHFFFAOYSA-N 0 0 427.464 1.981 50 0 IDAARN C[C@H](Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1 ZINC000000658355 132228702 /nfs/dbraw/zinc/22/87/02/132228702.db2.gz YKGBCXHAMZKLCI-HNNXBMFYSA-N 0 0 430.534 1.664 50 0 IDAARN C[C@@H](Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1 ZINC000000658358 132228705 /nfs/dbraw/zinc/22/87/05/132228705.db2.gz YKGBCXHAMZKLCI-OAHLLOKOSA-N 0 0 430.534 1.664 50 0 IDAARN O=C(Nc1ccccc1N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000009632617 132234368 /nfs/dbraw/zinc/23/43/68/132234368.db2.gz BVXMJVGLOAROLW-UHFFFAOYSA-N 0 0 449.504 1.936 50 0 IDAARN COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)CCc2ccccc2)CC1 ZINC000009570176 132235639 /nfs/dbraw/zinc/23/56/39/132235639.db2.gz OFNNQNCVPDGCIL-UHFFFAOYSA-N 0 0 431.558 1.896 50 0 IDAARN CCOc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000009570240 132235819 /nfs/dbraw/zinc/23/58/19/132235819.db2.gz PJHLERAUXGFAAR-UHFFFAOYSA-N 0 0 447.557 1.732 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1ccc(Br)o1 ZINC000009570256 132235839 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CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000006365551 132277246 /nfs/dbraw/zinc/27/72/46/132277246.db2.gz KSNPRWBUYQYEBE-UHFFFAOYSA-N 0 0 425.485 1.707 50 0 IDAARN CCc1nnc(SCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)o1 ZINC000008399982 132281491 /nfs/dbraw/zinc/28/14/91/132281491.db2.gz RALBNHBYAYWNTM-UHFFFAOYSA-N 0 0 425.536 1.444 50 0 IDAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc4[nH]c(=O)c(=O)[nH]c4cc3C)CC2)cc1 ZINC000008591233 132284090 /nfs/dbraw/zinc/28/40/90/132284090.db2.gz SPUAIAWIEOTSKP-UHFFFAOYSA-N 0 0 442.497 1.238 50 0 IDAARN COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2c1=O ZINC000008609441 132287810 /nfs/dbraw/zinc/28/78/10/132287810.db2.gz ZZIRNRHBEULDDP-UHFFFAOYSA-N 0 0 442.903 1.952 50 0 IDAARN O=C(C1CCN(c2nc(Cl)nc3nc[nH]c32)CC1)N1CCN(c2ccccn2)CC1 ZINC000008991009 132299715 /nfs/dbraw/zinc/29/97/15/132299715.db2.gz VFPCQZZHFYHTGV-UHFFFAOYSA-N 0 0 426.912 1.967 50 0 IDAARN COc1ccccc1N1CCN(C(=O)C(=O)N2CCN(c3ccccc3OC)CC2)CC1 ZINC000009019723 132301070 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/nfs/dbraw/zinc/37/87/81/524378781.db2.gz JKNLHLVZGITGSO-UHFFFAOYSA-N 0 0 432.527 1.776 50 0 IDAARN Cc1cccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccc(F)cc2)c1 ZINC000021528993 524384246 /nfs/dbraw/zinc/38/42/46/524384246.db2.gz MGOPLGWVTGPTTD-JOCHJYFZSA-N 0 0 447.532 1.813 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCC2)c(OC)c1 ZINC000021869715 524390765 /nfs/dbraw/zinc/39/07/65/524390765.db2.gz FVWMXIJOUXBYSH-HXUWFJFHSA-N 0 0 439.534 1.130 50 0 IDAARN COc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012322472 524393488 /nfs/dbraw/zinc/39/34/88/524393488.db2.gz RMHDZCWAOBDJKU-UHFFFAOYSA-N 0 0 430.486 1.697 50 0 IDAARN Cc1cc(C)cc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000015680252 524411070 /nfs/dbraw/zinc/41/10/70/524411070.db2.gz ITCZGKRJNGZHJW-QFIPXVFZSA-N 0 0 429.542 1.987 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 ZINC000012080714 524458616 /nfs/dbraw/zinc/45/86/16/524458616.db2.gz MMHQXEWFSJQEJJ-SFHVURJKSA-N 0 0 431.876 1.580 50 0 IDAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](C)O2 ZINC000035452763 524461697 /nfs/dbraw/zinc/46/16/97/524461697.db2.gz VNYQTCCLKPLVIH-AWEZNQCLSA-N 0 0 447.513 1.660 50 0 IDAARN COc1ccccc1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000021875751 524481336 /nfs/dbraw/zinc/48/13/36/524481336.db2.gz KEUQTJBSEMYJDK-QHCPKHFHSA-N 0 0 441.532 1.828 50 0 IDAARN COc1ccc(NC(=O)CCc2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)cc1 ZINC000035401935 524487472 /nfs/dbraw/zinc/48/74/72/524487472.db2.gz QJPTZEKMBJAIDY-UHFFFAOYSA-N 0 0 448.439 1.561 50 0 IDAARN COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)cc1OC ZINC000012348289 524515288 /nfs/dbraw/zinc/51/52/88/524515288.db2.gz INZCDMUVYQOLPB-UHFFFAOYSA-N 0 0 427.486 1.691 50 0 IDAARN Cc1ccc(CNC(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000012820858 524525386 /nfs/dbraw/zinc/52/53/86/524525386.db2.gz AOBPIXHOHFRGEH-UHFFFAOYSA-N 0 0 448.520 1.466 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000015734554 524548143 /nfs/dbraw/zinc/54/81/43/524548143.db2.gz MJYCJVJAKMTNOY-UHFFFAOYSA-N 0 0 433.534 1.025 50 0 IDAARN COc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000015343746 524552416 /nfs/dbraw/zinc/55/24/16/524552416.db2.gz GGABTMPGMWHNOH-UHFFFAOYSA-N 0 0 445.541 1.679 50 0 IDAARN Cc1cc(C)nc(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 ZINC000032942895 524596550 /nfs/dbraw/zinc/59/65/50/524596550.db2.gz JNKIMLMXDJPELN-SFHVURJKSA-N 0 0 428.514 1.696 50 0 IDAARN COc1ccccc1NC(=O)Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O ZINC000035425602 524605909 /nfs/dbraw/zinc/60/59/09/524605909.db2.gz SOSAHZXDZDITJX-UHFFFAOYSA-N 0 0 434.456 1.528 50 0 IDAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)c(OC)c1 ZINC000012029796 524636643 /nfs/dbraw/zinc/63/66/43/524636643.db2.gz AABHLNIFXUNHBC-INIZCTEOSA-N 0 0 439.511 1.917 50 0 IDAARN Cc1cc(CN2CCN(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)no1 ZINC000022800876 524692916 /nfs/dbraw/zinc/69/29/16/524692916.db2.gz FGHBVFJNLHNOKK-UHFFFAOYSA-N 0 0 447.561 1.524 50 0 IDAARN Cc1cc(CN2CCN(CC(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)no1 ZINC000022804964 524693608 /nfs/dbraw/zinc/69/36/08/524693608.db2.gz XYSKJNKXUHAUOY-UHFFFAOYSA-N 0 0 427.549 1.249 50 0 IDAARN COc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000012859025 524726256 /nfs/dbraw/zinc/72/62/56/524726256.db2.gz FOVYXWGHUJPQGD-UHFFFAOYSA-N 0 0 448.497 1.709 50 0 IDAARN COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000020530357 524846582 /nfs/dbraw/zinc/84/65/82/524846582.db2.gz CFKPEZBFQGVVIX-UHFFFAOYSA-N 0 0 431.470 1.852 50 0 IDAARN C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)OCO2)[C@@H](c1cccs1)N1CCOCC1 ZINC000020287390 524883145 /nfs/dbraw/zinc/88/31/45/524883145.db2.gz IIFZOFCONCABJW-LIRRHRJNSA-N 0 0 431.514 1.671 50 0 IDAARN C[C@@H]1CN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@H](C)O1 ZINC000022612114 524957377 /nfs/dbraw/zinc/95/73/77/524957377.db2.gz NRMSLVFXSAZIOL-GASCZTMLSA-N 0 0 428.510 1.903 50 0 IDAARN Cc1cc(F)ccc1N1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021528813 524982151 /nfs/dbraw/zinc/98/21/51/524982151.db2.gz YAVZBYSXYRIVLT-NRFANRHFSA-N 0 0 433.505 1.817 50 0 IDAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccccn3)ccc2N1C(=O)C1CC1 ZINC000020529639 524982458 /nfs/dbraw/zinc/98/24/58/524982458.db2.gz PDEPHTJVXMEUJT-HNNXBMFYSA-N 0 0 442.541 1.754 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000022904418 525000622 /nfs/dbraw/zinc/00/06/22/525000622.db2.gz HSZYOJFILTZWCO-UHFFFAOYSA-N 0 0 430.486 1.374 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000012533816 525028705 /nfs/dbraw/zinc/02/87/05/525028705.db2.gz BIFZWNFXAZMBKN-OAQYLSRUSA-N 0 0 444.557 1.588 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)NC(C)C)nn3)C2)cc1OC ZINC000014981730 525033641 /nfs/dbraw/zinc/03/36/41/525033641.db2.gz IQUQPCSIEOJZFZ-AWEZNQCLSA-N 0 0 437.522 1.459 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccc(C)cc3)CC2)cc1 ZINC000022732995 525036309 /nfs/dbraw/zinc/03/63/09/525036309.db2.gz XNZWWSIHPRYJFJ-UHFFFAOYSA-N 0 0 447.557 1.505 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3c(F)cccc3F)CC2)cc1 ZINC000022732973 525037241 /nfs/dbraw/zinc/03/72/41/525037241.db2.gz IFIVMJKCTDGAMD-UHFFFAOYSA-N 0 0 439.484 1.710 50 0 IDAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000020857977 525037451 /nfs/dbraw/zinc/03/74/51/525037451.db2.gz IIQHVJZHSMFSGT-UHFFFAOYSA-N 0 0 444.513 1.161 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(C)c1C ZINC000042379740 525039797 /nfs/dbraw/zinc/03/97/97/525039797.db2.gz FZUCCCVKRYJLBE-UHFFFAOYSA-N 0 0 447.561 1.450 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccno4)o3)cc2)C[C@H](C)O1 ZINC000022710804 525049064 /nfs/dbraw/zinc/04/90/64/525049064.db2.gz NBIVDPRODICLDD-TXEJJXNPSA-N 0 0 433.446 1.775 50 0 IDAARN Cc1ccccc1C(=O)Nc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)s1 ZINC000021152911 525066089 /nfs/dbraw/zinc/06/60/89/525066089.db2.gz KIMNMYNHZJWIHQ-UHFFFAOYSA-N 0 0 443.514 1.534 50 0 IDAARN Cc1ccccc1CCNC(=O)Cn1c2cccnc2n(Cc2ccncc2)c(=O)c1=O ZINC000035450664 525110318 /nfs/dbraw/zinc/11/03/18/525110318.db2.gz FPHOXUQJTPXZLE-UHFFFAOYSA-N 0 0 429.480 1.669 50 0 IDAARN CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O ZINC000012556303 525134600 /nfs/dbraw/zinc/13/46/00/525134600.db2.gz KAFUEPKWLBRKLE-QGZVFWFLSA-N 0 0 436.534 1.361 50 0 IDAARN Cc1cc(NC(=O)COC(=O)c2cccc(C(=O)OCC(=O)Nc3cc(C)on3)n2)no1 ZINC000022623317 525150730 /nfs/dbraw/zinc/15/07/30/525150730.db2.gz UREVZIBQVLYUIP-UHFFFAOYSA-N 0 0 443.372 1.265 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000012409549 525173467 /nfs/dbraw/zinc/17/34/67/525173467.db2.gz MNJWNUOASOTJIC-UHFFFAOYSA-N 0 0 436.509 1.076 50 0 IDAARN CS(=O)(=O)NCCc1ccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000012858661 525197739 /nfs/dbraw/zinc/19/77/39/525197739.db2.gz QEYYJOUNZVPACP-UHFFFAOYSA-N 0 0 441.435 1.770 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)c(F)c1 ZINC000009780388 534847306 /nfs/dbraw/zinc/84/73/06/534847306.db2.gz WWJYVEJEDOOOLJ-UHFFFAOYSA-N 0 0 430.480 1.932 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4c[nH]cn4)C3)CC2)cc1 ZINC000006493521 534849330 /nfs/dbraw/zinc/84/93/30/534849330.db2.gz GMVBZFQPYYRKDP-GOSISDBHSA-N 0 0 445.545 1.362 50 0 IDAARN C[C@@H]1C[C@H](C)CN(C(=O)CN2c3cc(S(=O)(=O)N4CCCC4)ccc3OCC2=O)C1 ZINC000020279726 525374656 /nfs/dbraw/zinc/37/46/56/525374656.db2.gz DJVHAHPYCFEHGP-IYBDPMFKSA-N 0 0 435.546 1.701 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000020724429 525402235 /nfs/dbraw/zinc/40/22/35/525402235.db2.gz RDYHEOYNNOBDEX-UHFFFAOYSA-N 0 0 434.518 1.534 50 0 IDAARN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000012735976 525403526 /nfs/dbraw/zinc/40/35/26/525403526.db2.gz XZXRWMBDJSLNER-UHFFFAOYSA-N 0 0 431.539 1.974 50 0 IDAARN Cc1ccccc1[C@H](OC[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000012535238 525433836 /nfs/dbraw/zinc/43/38/36/525433836.db2.gz GMDDPZXFZRNDNK-WIYYLYMNSA-N 0 0 434.496 1.909 50 0 IDAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NC[C@@H]2CCCO2)C(=O)[C@]31C ZINC000012868324 525483522 /nfs/dbraw/zinc/48/35/22/525483522.db2.gz XGDXGVGJOYVJQV-HMFCALDFSA-N 0 0 440.500 1.896 50 0 biogenic IDAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCCN2CCOCC2)C(=O)[C@]31C ZINC000020609781 525483734 /nfs/dbraw/zinc/48/37/34/525483734.db2.gz HKURDXBJODMVAR-QHCPKHFHSA-N 0 0 426.517 1.341 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnnn1-c1ccc(O)cc1 ZINC000012532473 525492479 /nfs/dbraw/zinc/49/24/79/525492479.db2.gz CJIYRMBEBOJUNV-UHFFFAOYSA-N 0 0 448.530 1.657 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1cccnc1 ZINC000033129088 525507990 /nfs/dbraw/zinc/50/79/90/525507990.db2.gz LWJBWGFXKRYTSS-HNNXBMFYSA-N 0 0 443.529 1.965 50 0 IDAARN Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CCNCC2)C2CCCCCC2)cc1 ZINC000015868821 525511624 /nfs/dbraw/zinc/51/16/24/525511624.db2.gz RTULSDGDNOXQCX-UHFFFAOYSA-N 0 0 443.635 1.944 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4nc(C)cc(C)n34)CC2)cc1 ZINC000012773198 525520061 /nfs/dbraw/zinc/52/00/61/525520061.db2.gz NCMIJUHTQJPEKB-UHFFFAOYSA-N 0 0 442.545 1.767 50 0 IDAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3ccco3)ccc2N1C(=O)C1CC1 ZINC000020529881 525522221 /nfs/dbraw/zinc/52/22/21/525522221.db2.gz IMMINQWXCBZPRD-CQSZACIVSA-N 0 0 431.514 1.952 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2ccccc2)cc1 ZINC000012140197 525528817 /nfs/dbraw/zinc/52/88/17/525528817.db2.gz OIBNXAHYQZNKOS-HXUWFJFHSA-N 0 0 445.541 1.207 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000012551177 525534373 /nfs/dbraw/zinc/53/43/73/525534373.db2.gz RHRNOYFMEPASMD-OAQYLSRUSA-N 0 0 428.558 1.888 50 0 IDAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000015701328 525547567 /nfs/dbraw/zinc/54/75/67/525547567.db2.gz NHVFQIPCJDTJMH-GOSISDBHSA-N 0 0 429.546 1.442 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)N1CCc3ccccc3C1)OCC(=O)N2 ZINC000035452032 525612182 /nfs/dbraw/zinc/61/21/82/525612182.db2.gz CAZGUDFLRUFRCQ-UHFFFAOYSA-N 0 0 429.498 1.531 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1 ZINC000017043053 525627465 /nfs/dbraw/zinc/62/74/65/525627465.db2.gz VZAXWMXXCNKUEC-YJBOKZPZSA-N 0 0 436.555 1.983 50 0 IDAARN Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000021532590 525661478 /nfs/dbraw/zinc/66/14/78/525661478.db2.gz NMAYSAMFDWGGLE-UHFFFAOYSA-N 0 0 444.967 1.828 50 0 IDAARN COc1ccc2nc(NC(=O)Cn3cnc(S(=O)(=O)N4CCOCC4)c3)sc2c1 ZINC000020994647 525676006 /nfs/dbraw/zinc/67/60/06/525676006.db2.gz RTJFNPVQKDYNQS-UHFFFAOYSA-N 0 0 437.503 1.161 50 0 IDAARN COc1cccc(/C=c2\sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(C)=O)c1O ZINC000012438201 525777898 /nfs/dbraw/zinc/77/78/98/525777898.db2.gz UWCGRTIBAKTOBG-CPULEKHMSA-N 0 0 436.489 1.989 50 0 IDAARN C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCC1 ZINC000020822215 525829557 /nfs/dbraw/zinc/82/95/57/525829557.db2.gz GORPBNYZKORCSS-ZUZCIYMTSA-N 0 0 439.317 1.187 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000012786761 525832965 /nfs/dbraw/zinc/83/29/65/525832965.db2.gz PLUXXDBIKXXMNK-SFHVURJKSA-N 0 0 433.468 1.586 50 0 IDAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1 ZINC000017913993 525872821 /nfs/dbraw/zinc/87/28/21/525872821.db2.gz GYMCPRREQCIVLP-OAQYLSRUSA-N 0 0 430.411 1.795 50 0 IDAARN C[C@H](OC(=O)C1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)NCc1ccc(F)cc1 ZINC000022867950 525880147 /nfs/dbraw/zinc/88/01/47/525880147.db2.gz GGIYYQAUSROBKI-AWEZNQCLSA-N 0 0 428.464 1.784 50 0 IDAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000012757412 525882340 /nfs/dbraw/zinc/88/23/40/525882340.db2.gz JPPLEUNQOBSGGI-AWEZNQCLSA-N 0 0 431.470 1.272 50 0 IDAARN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1=O ZINC000012802603 525893476 /nfs/dbraw/zinc/89/34/76/525893476.db2.gz IEOUPEPMXNMYRS-FQEVSTJZSA-N 0 0 434.391 1.819 50 0 IDAARN C[C@@]1(c2ccco2)NC(=O)N(CN2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)C1=O ZINC000023806041 525904998 /nfs/dbraw/zinc/90/49/98/525904998.db2.gz PSBHWKLQJGQFGH-NMQRCDEWSA-N 0 0 444.513 1.622 50 0 IDAARN Cc1ccc(-n2nc(-c3noc(CCC(=O)NCCC(C)C)n3)c(=O)n(C)c2=O)cc1 ZINC000035402339 525925671 /nfs/dbraw/zinc/92/56/71/525925671.db2.gz FCNGTLDGRIBMCX-UHFFFAOYSA-N 0 0 426.477 1.385 50 0 IDAARN C[C@H](C(=O)NCCc1cccs1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012746372 526059150 /nfs/dbraw/zinc/05/91/50/526059150.db2.gz JUKDBWRKTNOOKE-UZLBHIALSA-N 0 0 429.542 1.780 50 0 IDAARN C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012927148 526081732 /nfs/dbraw/zinc/08/17/32/526081732.db2.gz YBOKMHDVJABXMA-HNNXBMFYSA-N 0 0 432.546 1.744 50 0 IDAARN CSc1cccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1 ZINC000020575010 526116090 /nfs/dbraw/zinc/11/60/90/526116090.db2.gz DRUFJOKJCBQXIC-UHFFFAOYSA-N 0 0 440.485 1.880 50 0 IDAARN COc1cccc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000020719208 526145415 /nfs/dbraw/zinc/14/54/15/526145415.db2.gz BILYHSGMUKGCFU-UHFFFAOYSA-N 0 0 449.511 1.371 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012782710 526167532 /nfs/dbraw/zinc/16/75/32/526167532.db2.gz LPJDMXZKSYWYSH-LBPRGKRZSA-N 0 0 428.308 1.862 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N[C@@H]1CCCCNC1=O ZINC000032913421 526168454 /nfs/dbraw/zinc/16/84/54/526168454.db2.gz YCKBAVJFUVOCJB-OAHLLOKOSA-N 0 0 425.327 1.413 50 0 IDAARN COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1 ZINC000020576939 526172673 /nfs/dbraw/zinc/17/26/73/526172673.db2.gz ZKHDUQYMZAJJPW-UHFFFAOYSA-N 0 0 434.499 1.766 50 0 IDAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000022829850 526209038 /nfs/dbraw/zinc/20/90/38/526209038.db2.gz 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Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000012786251 526304202 /nfs/dbraw/zinc/30/42/02/526304202.db2.gz ZTYBQOGLAXZUOL-MRXNPFEDSA-N 0 0 434.518 1.659 50 0 IDAARN O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012689863 526306531 /nfs/dbraw/zinc/30/65/31/526306531.db2.gz CCKZSNJRRYSXEA-SFHVURJKSA-N 0 0 446.573 1.392 50 0 IDAARN O=C(NCCN1CCOCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556945 526318414 /nfs/dbraw/zinc/31/84/14/526318414.db2.gz LACGOZYLSNEKPI-KRWDZBQOSA-N 0 0 427.553 1.218 50 0 IDAARN O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2c(c1)OCO2 ZINC000020745673 526327612 /nfs/dbraw/zinc/32/76/12/526327612.db2.gz MSZJYDCGBDPNNZ-CQSZACIVSA-N 0 0 429.860 1.968 50 0 IDAARN O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000020734702 526329002 /nfs/dbraw/zinc/32/90/02/526329002.db2.gz KCAUDOHWXOPHIW-ROUUACIJSA-N 0 0 434.496 1.325 50 0 IDAARN O=C(NCCNS(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 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449.602 1.950 50 0 IDAARN O=C(NCCc1ccc(F)cc1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614041 526407465 /nfs/dbraw/zinc/40/74/65/526407465.db2.gz XXDOXOUBEFDNMK-LJQANCHMSA-N 0 0 443.475 1.403 50 0 IDAARN O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000012818922 526432587 /nfs/dbraw/zinc/43/25/87/526432587.db2.gz PZBABCQIRBFLAJ-LJQANCHMSA-N 0 0 429.498 1.781 50 0 IDAARN O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000020913368 526453846 /nfs/dbraw/zinc/45/38/46/526453846.db2.gz GQVJIKFCLKEAOY-FQEVSTJZSA-N 0 0 425.533 1.102 50 0 IDAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012690266 526499312 /nfs/dbraw/zinc/49/93/12/526499312.db2.gz QIUKBKIEWTYGBB-UHFFFAOYSA-N 0 0 445.467 1.990 50 0 IDAARN O=C(CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1 ZINC000012322125 526500610 /nfs/dbraw/zinc/50/06/10/526500610.db2.gz UGKSBMUATIESOT-UHFFFAOYSA-N 0 0 431.456 1.937 50 0 IDAARN O=C(NC[C@@H]1CCCO1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000035451737 526516506 /nfs/dbraw/zinc/51/65/06/526516506.db2.gz HQRTUCNFZGZPPF-IBGZPJMESA-N 0 0 432.496 1.350 50 0 IDAARN Cc1nnc(CC(=O)N2CC(=O)N(Cc3ccccc3)C[C@H](OCc3ccccn3)C2)[nH]1 ZINC000014532854 526523316 /nfs/dbraw/zinc/52/33/16/526523316.db2.gz VCGJWKFFGKRMGX-FQEVSTJZSA-N 0 0 434.500 1.507 50 0 IDAARN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023134453 526526029 /nfs/dbraw/zinc/52/60/29/526526029.db2.gz VKJSPEHANIWBFX-KRWDZBQOSA-N 0 0 449.490 1.499 50 0 IDAARN O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020745194 526526102 /nfs/dbraw/zinc/52/61/02/526526102.db2.gz KWPNEQSTLORKKN-AWEZNQCLSA-N 0 0 437.518 1.773 50 0 IDAARN O=C([C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCN(c2ccccn2)CC1 ZINC000021026444 526540324 /nfs/dbraw/zinc/54/03/24/526540324.db2.gz NLBJQFWVGQKUKF-INIZCTEOSA-N 0 0 441.561 1.625 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000033264837 526550337 /nfs/dbraw/zinc/55/03/37/526550337.db2.gz NSQYCBAHAQBCSB-UHFFFAOYSA-N 0 0 429.502 1.738 50 0 IDAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CCOCC4)CC3)c(C)s2)no1 ZINC000035502670 526560906 /nfs/dbraw/zinc/56/09/06/526560906.db2.gz WACKOZXJESRJHU-UHFFFAOYSA-N 0 0 440.547 1.674 50 0 IDAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000263586595 526563710 /nfs/dbraw/zinc/56/37/10/526563710.db2.gz WAPOQUUJESQJHV-YJBOKZPZSA-N 0 0 432.484 1.966 50 0 biogenic IDAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccc(F)cc1F ZINC000020614080 526579410 /nfs/dbraw/zinc/57/94/10/526579410.db2.gz WPTNUVNSBSHLCU-QGZVFWFLSA-N 0 0 433.411 1.822 50 0 IDAARN O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000035481878 526637990 /nfs/dbraw/zinc/63/79/90/526637990.db2.gz YFLSUIXJEKRCKX-UHFFFAOYSA-N 0 0 440.481 1.646 50 0 IDAARN O=C(CCc1nc(-c2ccco2)no1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000012822385 526646250 /nfs/dbraw/zinc/64/62/50/526646250.db2.gz 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O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)NCc1ccccn1 ZINC000015678540 526711213 /nfs/dbraw/zinc/71/12/13/526711213.db2.gz NWEKMQFUKHTWLX-UHFFFAOYSA-N 0 0 446.554 1.621 50 0 IDAARN O=C(CN1C(=O)COc2ccccc2C1=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000021790306 526711643 /nfs/dbraw/zinc/71/16/43/526711643.db2.gz OSNDNZQHHBCRDJ-UHFFFAOYSA-N 0 0 428.466 1.715 50 0 IDAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012549977 526715674 /nfs/dbraw/zinc/71/56/74/526715674.db2.gz BIOZVNHQZRVSSE-HDICACEKSA-N 0 0 431.514 1.751 50 0 IDAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000013128269 526744840 /nfs/dbraw/zinc/74/48/40/526744840.db2.gz SNZGWBLJJWVCPI-UHFFFAOYSA-N 0 0 447.492 1.330 50 0 IDAARN O=C(CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)NC1CC1 ZINC000035325256 526764216 /nfs/dbraw/zinc/76/42/16/526764216.db2.gz WFEBUTUOXQQKDZ-QGZVFWFLSA-N 0 0 432.952 1.615 50 0 IDAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000001122148 526776143 /nfs/dbraw/zinc/77/61/43/526776143.db2.gz CKGCLFFABAOFFB-UHFFFAOYSA-N 0 0 433.505 1.809 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc(F)c1 ZINC000034867497 526779397 /nfs/dbraw/zinc/77/93/97/526779397.db2.gz AUKWKKUSLBSENJ-UHFFFAOYSA-N 0 0 435.477 1.542 50 0 IDAARN O=C(c1cccc2ccccc21)N1CCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1 ZINC000014751737 526786011 /nfs/dbraw/zinc/78/60/11/526786011.db2.gz ZKEWRONAEZAZJS-FCHUYYIVSA-N 0 0 429.476 1.940 50 0 IDAARN O=C(c1ccco1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000012569702 526826251 /nfs/dbraw/zinc/82/62/51/526826251.db2.gz KERNDHKVOXXXHY-UHFFFAOYSA-N 0 0 437.543 1.726 50 0 IDAARN O=C(CNC(=O)c1cccc(OC(F)F)c1)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012556076 526861796 /nfs/dbraw/zinc/86/17/96/526861796.db2.gz TWINJRKVQPXNKJ-UHFFFAOYSA-N 0 0 434.351 1.775 50 0 IDAARN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000245239925 526862013 /nfs/dbraw/zinc/86/20/13/526862013.db2.gz HGUOPZQUHFUFBC-MZLICYQSSA-N 0 0 427.545 1.809 50 0 IDAARN Cc1nc(CN2CCN(C(=O)[C@@H]3CCC(=O)N(CCc4ccccn4)C3)CC2)cs1 ZINC000020599048 526863117 /nfs/dbraw/zinc/86/31/17/526863117.db2.gz IAKVWJZLPUGUTJ-GOSISDBHSA-N 0 0 427.574 1.972 50 0 IDAARN Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)NC1CCCC1 ZINC000035527564 526865197 /nfs/dbraw/zinc/86/51/97/526865197.db2.gz KLUOMYWREBCRFU-UHFFFAOYSA-N 0 0 426.520 1.800 50 0 IDAARN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000035527915 526865485 /nfs/dbraw/zinc/86/54/85/526865485.db2.gz BALQLFHMRMGAIZ-UHFFFAOYSA-N 0 0 425.536 1.279 50 0 IDAARN NC(=O)CCN1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000022910775 526869395 /nfs/dbraw/zinc/86/93/95/526869395.db2.gz QCAPJZYCHNRULI-UHFFFAOYSA-N 0 0 433.374 1.906 50 0 IDAARN O=C(c1cnc2sc3c(n2c1=O)CCC3)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000035430255 526877826 /nfs/dbraw/zinc/87/78/26/526877826.db2.gz LFXIXMDHVLSWHK-UHFFFAOYSA-N 0 0 438.509 1.931 50 0 IDAARN O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000022200633 526879616 /nfs/dbraw/zinc/87/96/16/526879616.db2.gz ZJJBPIXRNNCRBZ-UHFFFAOYSA-N 0 0 431.356 1.723 50 0 IDAARN O=C(CNc1ccccc1-n1cccn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000032932730 526900676 /nfs/dbraw/zinc/90/06/76/526900676.db2.gz HEMMVHXZMJBYPX-UHFFFAOYSA-N 0 0 441.513 1.944 50 0 IDAARN NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(Br)o3)CC2)s1 ZINC000023141532 526901982 /nfs/dbraw/zinc/90/19/82/526901982.db2.gz PNJKGWKHDIKVTO-UHFFFAOYSA-N 0 0 432.325 1.433 50 0 IDAARN O=C(CNc1nc(Cl)nc2nc[nH]c21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020647229 526902421 /nfs/dbraw/zinc/90/24/21/526902421.db2.gz AJINEKVDKRSIRR-UHFFFAOYSA-N 0 0 429.868 1.491 50 0 IDAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc[nH]1 ZINC000022215948 526906895 /nfs/dbraw/zinc/90/68/95/526906895.db2.gz SOMJLCQYNSQXKW-UHFFFAOYSA-N 0 0 434.470 1.613 50 0 IDAARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000017527575 526911633 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Cn1c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(C3CCCCC3)nc2n(C)c1=O ZINC000020604994 527024784 /nfs/dbraw/zinc/02/47/84/527024784.db2.gz SJDAWJQSOURFOR-CQSZACIVSA-N 0 0 447.561 1.462 50 0 IDAARN Cn1c(CCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012548100 527047808 /nfs/dbraw/zinc/04/78/08/527047808.db2.gz QMQLBDVWZAJUOZ-UHFFFAOYSA-N 0 0 434.562 1.976 50 0 IDAARN O=C(CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[nH]n21)NC[C@H]1CCCO1 ZINC000021911337 527051288 /nfs/dbraw/zinc/05/12/88/527051288.db2.gz UJLHQDNJVXYIFX-GFCCVEGCSA-N 0 0 429.458 1.201 50 0 IDAARN O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1nccs1 ZINC000022909142 527053319 /nfs/dbraw/zinc/05/33/19/527053319.db2.gz BLODGNGFYCWGMX-UHFFFAOYSA-N 0 0 435.575 1.642 50 0 IDAARN O=C(CSc1nnc(Cn2nc(-c3ccccc3)ccc2=O)o1)NC[C@@H]1CCCO1 ZINC000020604494 527085018 /nfs/dbraw/zinc/08/50/18/527085018.db2.gz XYXMATGBBGLPEK-HNNXBMFYSA-N 0 0 427.486 1.729 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCc1nnc(-c2ccccc2)[nH]1 ZINC000012480439 527099293 /nfs/dbraw/zinc/09/92/93/527099293.db2.gz IFUWGYOIFUNZRZ-HXUWFJFHSA-N 0 0 432.528 1.911 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000012297802 527099915 /nfs/dbraw/zinc/09/99/15/527099915.db2.gz NZMMJMSIVVHWIJ-JOCHJYFZSA-N 0 0 444.539 1.669 50 0 IDAARN Cn1c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=O ZINC000012780232 527111182 /nfs/dbraw/zinc/11/11/82/527111182.db2.gz FVWNXITXWGSCMJ-UHFFFAOYSA-N 0 0 432.477 1.012 50 0 IDAARN Cn1c2nc(NCc3ccc4c(c3)OCO4)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000001409288 527123112 /nfs/dbraw/zinc/12/31/12/527123112.db2.gz GWJJQVODABIMGP-UHFFFAOYSA-N 0 0 437.431 1.962 50 0 biogenic IDAARN Cn1c2nc3n(c2c(=O)n(CCN2CCOCC2)c1=O)CCN3c1cccc(Cl)c1 ZINC000020533218 527123386 /nfs/dbraw/zinc/12/33/86/527123386.db2.gz RYPABJDXJVEWSI-UHFFFAOYSA-N 0 0 430.896 1.034 50 0 IDAARN Cn1c2ncn(CC(=O)N[C@@H](c3cccs3)c3ccc4c(c3)CCC4)c2c(=O)n(C)c1=O ZINC000018235382 527124992 /nfs/dbraw/zinc/12/49/92/527124992.db2.gz HIGIPHMMRVCUHZ-LJQANCHMSA-N 0 0 449.536 1.890 50 0 IDAARN Cn1c2nnc(CCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2c2ccsc2c1=O ZINC000021882275 527127519 /nfs/dbraw/zinc/12/75/19/527127519.db2.gz RMWLMFMIOZVFQV-UHFFFAOYSA-N 0 0 440.485 1.153 50 0 IDAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCCN2CCOCC2)c2ccccc21 ZINC000021645582 527131070 /nfs/dbraw/zinc/13/10/70/527131070.db2.gz NRJZXUYUGIVSIA-UHFFFAOYSA-N 0 0 436.516 1.227 50 0 IDAARN O=S(=O)(Cc1cc2c(cc1Cl)OCO2)c1nnnn1Cc1ccc2c(c1)OCO2 ZINC000012375123 527190847 /nfs/dbraw/zinc/19/08/47/527190847.db2.gz XYXKAHINKNSXFU-UHFFFAOYSA-N 0 0 436.833 1.806 50 0 IDAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000024562690 527240792 /nfs/dbraw/zinc/24/07/92/527240792.db2.gz FABJNCOEFQPKJF-UHFFFAOYSA-N 0 0 443.403 1.958 50 0 IDAARN O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2nnnn2C2CC2)CC1 ZINC000012769237 527270812 /nfs/dbraw/zinc/27/08/12/527270812.db2.gz YIIRCSGVFILLSA-UHFFFAOYSA-N 0 0 433.357 1.339 50 0 IDAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012389593 527271807 /nfs/dbraw/zinc/27/18/07/527271807.db2.gz JYEZFDGWZBYRKS-UHFFFAOYSA-N 0 0 442.906 1.571 50 0 IDAARN O=C(Cc1cccc2ccccc21)N1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1 ZINC000011871883 527273175 /nfs/dbraw/zinc/27/31/75/527273175.db2.gz NACMMTOAPVIQMV-LJQANCHMSA-N 0 0 433.512 1.711 50 0 IDAARN O=C(Cc1ccccc1)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 ZINC000012137506 527278806 /nfs/dbraw/zinc/27/88/06/527278806.db2.gz YYKUCBGDZYJHAU-LJQANCHMSA-N 0 0 439.537 1.607 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC000091402257 527280364 /nfs/dbraw/zinc/28/03/64/527280364.db2.gz BTJGSXUKFBXNIP-UHFFFAOYSA-N 0 0 431.518 1.359 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1C(N)=O ZINC000012928391 527283512 /nfs/dbraw/zinc/28/35/12/527283512.db2.gz UBARFVJRFDPMSP-UHFFFAOYSA-N 0 0 445.328 1.578 50 0 IDAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000020994291 527290517 /nfs/dbraw/zinc/29/05/17/527290517.db2.gz UKALMJHVAZMUAD-LBPRGKRZSA-N 0 0 445.453 1.889 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000035592787 527310067 /nfs/dbraw/zinc/31/00/67/527310067.db2.gz PIFVFEHWNGFRQF-UHFFFAOYSA-N 0 0 429.454 1.619 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000012786808 527310845 /nfs/dbraw/zinc/31/08/45/527310845.db2.gz FHXRNLUSGFEABH-KRWDZBQOSA-N 0 0 438.575 1.311 50 0 IDAARN Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1F ZINC000021713913 527333057 /nfs/dbraw/zinc/33/30/57/527333057.db2.gz DUGWBIITLCOATB-UHFFFAOYSA-N 0 0 425.395 1.862 50 0 IDAARN Cn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000021713973 527333101 /nfs/dbraw/zinc/33/31/01/527333101.db2.gz UATXQFINZYMZFB-UHFFFAOYSA-N 0 0 447.451 1.355 50 0 IDAARN Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1cccc(F)c1 ZINC000021713903 527333144 /nfs/dbraw/zinc/33/31/44/527333144.db2.gz QFAPTVLEYUCSBC-UHFFFAOYSA-N 0 0 425.395 1.862 50 0 IDAARN O=C(Cn1cc(C(=O)C(=O)NCCN2CCOCC2)c2ccccc21)N1CCCCC1 ZINC000022628384 527366055 /nfs/dbraw/zinc/36/60/55/527366055.db2.gz RBOTXTDTXPWFRH-UHFFFAOYSA-N 0 0 426.517 1.285 50 0 IDAARN O=C(Cn1cc(I)cn1)n1cc(I)cn1 ZINC000012428310 527368524 /nfs/dbraw/zinc/36/85/24/527368524.db2.gz CJIKSDRSPHIXRV-UHFFFAOYSA-N 0 0 427.971 1.629 50 0 IDAARN Cn1cccc1[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc2C1 ZINC000021151968 527407784 /nfs/dbraw/zinc/40/77/84/527407784.db2.gz OTHLUSVBCPMXAO-QFIPXVFZSA-N 0 0 444.601 1.912 50 0 IDAARN O=C(Cn1nc(C(=O)N2CCOCC2)c2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000035257934 527415497 /nfs/dbraw/zinc/41/54/97/527415497.db2.gz MAQSVKZYYQBXGS-UHFFFAOYSA-N 0 0 434.500 1.253 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)c1=O)NC1CC1 ZINC000077100237 527431121 /nfs/dbraw/zinc/43/11/21/527431121.db2.gz PBBXIQYNQFKONC-UHFFFAOYSA-N 0 0 445.439 1.615 50 0 IDAARN O=C(Nc1cnc2ccccc2c1)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012590422 527477052 /nfs/dbraw/zinc/47/70/52/527477052.db2.gz ZIERDPFGUPMLOQ-INIZCTEOSA-N 0 0 445.522 1.953 50 0 IDAARN O=C(Nc1nnc(SCCN2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000022627779 527535703 /nfs/dbraw/zinc/53/57/03/527535703.db2.gz NCPRFMSDMBYOFZ-AWEZNQCLSA-N 0 0 433.559 1.954 50 0 IDAARN Cn1nc(Br)c2c1ncnc2N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000089745381 527539507 /nfs/dbraw/zinc/53/95/07/527539507.db2.gz CORGONZWKNIOBU-UHFFFAOYSA-N 0 0 441.293 1.965 50 0 IDAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000012676800 527630670 /nfs/dbraw/zinc/63/06/70/527630670.db2.gz JJKOITFZVJJZAH-IRUYWQDXSA-N 0 0 445.585 1.270 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000017098270 527655599 /nfs/dbraw/zinc/65/55/99/527655599.db2.gz UBPGTFDXWTZRTB-UHFFFAOYSA-N 0 0 432.955 1.386 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2ccccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000035893757 527670607 /nfs/dbraw/zinc/67/06/07/527670607.db2.gz HEJOCFWGJPBAMR-IFMALSPDSA-N 0 0 436.560 1.183 50 0 IDAARN O=C(NCCCN1CCOCC1)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000035506871 527671742 /nfs/dbraw/zinc/67/17/42/527671742.db2.gz RJNNCJDNZPJWRY-UHFFFAOYSA-N 0 0 429.496 1.520 50 0 IDAARN O=C(NCCCN1CCOCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423311 527672525 /nfs/dbraw/zinc/67/25/25/527672525.db2.gz WBEJEPFLDMZFMQ-UHFFFAOYSA-N 0 0 435.484 1.743 50 0 IDAARN Cc1nn(CC(=O)NCCNC(=O)c2nc(-c3ccccc3)no2)c(C)c1Br ZINC000015081991 527701885 /nfs/dbraw/zinc/70/18/85/527701885.db2.gz HDSGYWUKGUWINY-UHFFFAOYSA-N 0 0 447.293 1.859 50 0 IDAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1SCC(=O)NCCOC ZINC000008672990 535133335 /nfs/dbraw/zinc/13/33/35/535133335.db2.gz NZAWNPCORSEFIC-UHFFFAOYSA-N 0 0 434.562 1.888 50 0 IDAARN CC[C@@H](C)NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008811552 535577253 /nfs/dbraw/zinc/57/72/53/535577253.db2.gz PITAAVXEUBVGPU-CYBMUJFWSA-N 0 0 427.548 1.061 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(CC)cc2)n(C)c1=O ZINC000008653902 535762839 /nfs/dbraw/zinc/76/28/39/535762839.db2.gz KUEMEEPYQITPHK-CQSZACIVSA-N 0 0 425.489 1.810 50 0 IDAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCN(c3cccc(C)c3)[C@H](C)C2)CC1 ZINC000004911203 535779002 /nfs/dbraw/zinc/77/90/02/535779002.db2.gz FZOLFKGLZLRNFY-QGZVFWFLSA-N 0 0 426.517 1.585 50 0 IDAARN COc1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1OC ZINC000009561447 536776041 /nfs/dbraw/zinc/77/60/41/536776041.db2.gz LHCCBVWVXZZTLJ-UHFFFAOYSA-N 0 0 426.473 1.983 50 0 IDAARN COc1ccc(OC)c(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCCO)c4=O)c1 ZINC000010102640 536832575 /nfs/dbraw/zinc/83/25/75/536832575.db2.gz RDVNVGRVHZYUCD-ZDUSSCGKSA-N 0 0 429.477 1.084 50 0 IDAARN COc1ccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)cc1 ZINC000008673276 536866899 /nfs/dbraw/zinc/86/68/99/536866899.db2.gz GZHHNYWJNHMKGG-UHFFFAOYSA-N 0 0 449.554 1.701 50 0 IDAARN COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000002841513 537066167 /nfs/dbraw/zinc/06/61/67/537066167.db2.gz MDYKFNWFPYZDGJ-UHFFFAOYSA-N 0 0 445.541 1.679 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000625757 555512402 /nfs/dbraw/zinc/51/24/02/555512402.db2.gz LKDAIIBQGRVJMS-GOSISDBHSA-N 0 0 449.511 1.794 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(NC2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000625942 555512648 /nfs/dbraw/zinc/51/26/48/555512648.db2.gz OCDDXNNBGISUTN-KRWDZBQOSA-N 0 0 441.532 1.927 50 0 IDAARN COc1ccccc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O ZINC000000637706 555517238 /nfs/dbraw/zinc/51/72/38/555517238.db2.gz ZSZZVYATSCDTIT-UHFFFAOYSA-N 0 0 444.513 1.898 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)cc1 ZINC000000667005 555528976 /nfs/dbraw/zinc/52/89/76/555528976.db2.gz UCLIMQNUJBGMMX-UHFFFAOYSA-N 0 0 445.501 1.361 50 0 IDAARN Cn1c2nc(Br)n(C[C@H](O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O ZINC000000678532 555536019 /nfs/dbraw/zinc/53/60/19/555536019.db2.gz JRLVWXKNAUFMHF-ZDUSSCGKSA-N 0 0 445.273 1.779 50 0 biogenic IDAARN COc1ccc(C(=O)NN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(N)=O)cc1 ZINC000000720820 555549965 /nfs/dbraw/zinc/54/99/65/555549965.db2.gz ORBPCFPMMVNBFL-INIZCTEOSA-N 0 0 428.470 1.226 50 0 IDAARN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000000783894 555555622 /nfs/dbraw/zinc/55/56/22/555555622.db2.gz BDPKKGIUYNTQIA-UHFFFAOYSA-N 0 0 438.546 1.898 50 0 IDAARN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000000802945 555559323 /nfs/dbraw/zinc/55/93/23/555559323.db2.gz XRXBULBFZIXDEG-UHFFFAOYSA-N 0 0 426.516 1.907 50 0 IDAARN Cn1c2nc(N3CCCCCC3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000000828753 555566089 /nfs/dbraw/zinc/56/60/89/555566089.db2.gz LPKAXRDCCFUYHQ-HNNXBMFYSA-N 0 0 447.923 1.897 50 0 biogenic IDAARN Cc1cccc(N(C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccccc2)c1 ZINC000000864196 555573292 /nfs/dbraw/zinc/57/32/92/555573292.db2.gz YBYVSYKPGPTCIQ-KRWDZBQOSA-N 0 0 431.514 1.882 50 0 IDAARN NC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)CCC2 ZINC000009491783 555576842 /nfs/dbraw/zinc/57/68/42/555576842.db2.gz BYMAJJZZWYYIFP-UHFFFAOYSA-N 0 0 429.527 2.000 50 0 IDAARN COc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1 ZINC000000881220 555577470 /nfs/dbraw/zinc/57/74/70/555577470.db2.gz OSJSFIVUPADTEK-UHFFFAOYSA-N 0 0 444.513 1.898 50 0 IDAARN CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F ZINC000001016349 555602562 /nfs/dbraw/zinc/60/25/62/555602562.db2.gz FLXDKBNUHWAQLZ-AHIWAGSCSA-N 0 0 436.383 1.839 50 0 IDAARN CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1 ZINC000001058581 555615454 /nfs/dbraw/zinc/61/54/54/555615454.db2.gz TYOHYBAOZYXHMU-UHFFFAOYSA-N 0 0 433.490 1.599 50 0 IDAARN C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000001127271 555641651 /nfs/dbraw/zinc/64/16/51/555641651.db2.gz UVKLEFPYGWITTK-LLVKDONJSA-N 0 0 436.310 1.427 50 0 biogenic IDAARN Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C ZINC000001127313 555642019 /nfs/dbraw/zinc/64/20/19/555642019.db2.gz WYHIIFBPRHFGJL-UHFFFAOYSA-N 0 0 437.431 1.962 50 0 IDAARN Cn1c(=O)cc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)o2)n(C)c1=O ZINC000001141074 555650023 /nfs/dbraw/zinc/65/00/23/555650023.db2.gz PJCBQBHCEOJYGM-UHFFFAOYSA-N 0 0 437.481 1.942 50 0 IDAARN CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(I)cc1 ZINC000001161928 555662363 /nfs/dbraw/zinc/66/23/63/555662363.db2.gz ORFHQMIRWBBCOA-UHFFFAOYSA-N 0 0 445.282 1.769 50 0 IDAARN CNC(=O)C[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=S)N1NC(=O)c1cccc(F)c1 ZINC000001240516 555687146 /nfs/dbraw/zinc/68/71/46/555687146.db2.gz AZHZGJYNZSPKSW-MRXNPFEDSA-N 0 0 430.461 1.618 50 0 IDAARN Cc1nnc(SCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000002355550 555771490 /nfs/dbraw/zinc/77/14/90/555771490.db2.gz WOUXDIFUJDHOAK-VXGBXAGGSA-N 0 0 449.606 1.868 50 0 IDAARN O=C(OCCNC1=NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000002482754 555783492 /nfs/dbraw/zinc/78/34/92/555783492.db2.gz UNEIADXOBNBOGV-ZDUSSCGKSA-N 0 0 447.900 1.975 50 0 IDAARN CCOC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@H]1c1ccc(O)c(OC)c1 ZINC000002504041 555784902 /nfs/dbraw/zinc/78/49/02/555784902.db2.gz UPGQFRBVQZRMBV-IINYFYTJSA-N 0 0 448.497 1.970 50 0 IDAARN CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 ZINC000002601405 555789782 /nfs/dbraw/zinc/78/97/82/555789782.db2.gz FLCWJAFJHOTHDW-KRWDZBQOSA-N 0 0 428.342 1.681 50 0 IDAARN COCCN(C[C@@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1cccc(F)c1 ZINC000034691442 555804060 /nfs/dbraw/zinc/80/40/60/555804060.db2.gz HPOKLKIGCJOYPB-PMACEKPBSA-N 0 0 426.529 1.791 50 0 IDAARN COCCN(C[C@@H]1CN(C[C@H](O)COCC(C)C)CCO1)C(=O)c1ccc(OC)cc1 ZINC000034691362 555804198 /nfs/dbraw/zinc/80/41/98/555804198.db2.gz UXMAYXAEWZCIGS-UNMCSNQZSA-N 0 0 438.565 1.518 50 0 IDAARN CC[C@H](C)N(C[C@H]1CN(C[C@H](O)CN2CCOCC2)CCO1)C(=O)c1ccccc1OC ZINC000034691486 555804224 /nfs/dbraw/zinc/80/42/24/555804224.db2.gz XKCUQPYRAFOFMZ-PWRODBHTSA-N 0 0 449.592 1.330 50 0 IDAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002730784 555804251 /nfs/dbraw/zinc/80/42/51/555804251.db2.gz MHKSGLSSMLKELA-UHFFFAOYSA-N 0 0 438.527 1.510 50 0 IDAARN CC(C)OC[C@H](O)CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)C1 ZINC000034691701 555804731 /nfs/dbraw/zinc/80/47/31/555804731.db2.gz WGNLNCVDWRFJJB-UXHICEINSA-N 0 0 434.533 1.754 50 0 IDAARN CCC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CC)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002828475 555831612 /nfs/dbraw/zinc/83/16/12/555831612.db2.gz BMCDYZFNNFPTIR-UHFFFAOYSA-N 0 0 439.515 1.814 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000002855530 555841440 /nfs/dbraw/zinc/84/14/40/555841440.db2.gz FXJNXUHVOFWAGG-UHFFFAOYSA-N 0 0 432.410 1.043 50 0 IDAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C ZINC000002865547 555847081 /nfs/dbraw/zinc/84/70/81/555847081.db2.gz VAVLXEQGTGMCRF-UHFFFAOYSA-N 0 0 433.515 1.869 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002867167 555847786 /nfs/dbraw/zinc/84/77/86/555847786.db2.gz JTIIHZSIMVIDIF-UHFFFAOYSA-N 0 0 428.470 1.056 50 0 IDAARN COc1ccc(NC(=O)CSc2nnc(Cc3nc(-c4cnccn4)no3)n2C)cc1 ZINC000003137807 555891138 /nfs/dbraw/zinc/89/11/38/555891138.db2.gz AKFBGWBFCKAEPW-UHFFFAOYSA-N 0 0 438.473 1.985 50 0 IDAARN COc1cccc(CN2CCn3nc(C(=O)NCCCN4CCCC4=O)cc3C2=O)c1 ZINC000034830791 555912043 /nfs/dbraw/zinc/91/20/43/555912043.db2.gz KVFPDZVMBOHOEN-UHFFFAOYSA-N 0 0 425.489 1.290 50 0 IDAARN COc1cccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)NCc2ccco2)C3)c1OC ZINC000034792701 555916581 /nfs/dbraw/zinc/91/65/81/555916581.db2.gz XNTXGIVEKDRIDG-IBGZPJMESA-N 0 0 440.456 1.406 50 0 IDAARN C[C@@H]1CN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccccc2Cl)NC(=O)N3C)C[C@H](C)O1 ZINC000034792800 555916647 /nfs/dbraw/zinc/91/66/47/555916647.db2.gz PCBOQOSZKAYXIP-QUJCMNEKSA-N 0 0 432.908 1.768 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 ZINC000034918677 555930813 /nfs/dbraw/zinc/93/08/13/555930813.db2.gz RVITTYPOCLSIQX-QZTJIDSGSA-N 0 0 432.517 1.897 50 0 IDAARN COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc3nonc32)cc1OC ZINC000003665244 555945205 /nfs/dbraw/zinc/94/52/05/555945205.db2.gz OHFDEVGHLCZMQB-UHFFFAOYSA-N 0 0 434.474 1.267 50 0 IDAARN Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000004534346 556000272 /nfs/dbraw/zinc/00/02/72/556000272.db2.gz WBIIPXYJAMICNU-CQSZACIVSA-N 0 0 428.511 1.556 50 0 IDAARN CCOC(=O)C1(C(=O)OCC)C(=S)SC(=S)C1(C(=O)OCC)C(=O)OCC ZINC000004551874 556000777 /nfs/dbraw/zinc/00/07/77/556000777.db2.gz CQZHGYSYHGNPLM-UHFFFAOYSA-N 0 0 436.529 1.613 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000004852573 556015819 /nfs/dbraw/zinc/01/58/19/556015819.db2.gz SXUGLZOKKPOMKG-UHFFFAOYSA-N 0 0 427.523 1.315 50 0 IDAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCOCC2)C1 ZINC000006577153 556095476 /nfs/dbraw/zinc/09/54/76/556095476.db2.gz KTRKCEXPLLRSED-GJZGRUSLSA-N 0 0 437.518 1.120 50 0 IDAARN CCOC(CCNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)OCC ZINC000002688597 556119357 /nfs/dbraw/zinc/11/93/57/556119357.db2.gz VKKRGZKIQYPYII-HZPDHXFCSA-N 0 0 441.575 1.886 50 0 IDAARN Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cnn1C ZINC000002732424 556134840 /nfs/dbraw/zinc/13/48/40/556134840.db2.gz VYLRARYNRSBSFH-LBPRGKRZSA-N 0 0 434.444 1.527 50 0 IDAARN CCn1ncc(Cl)c1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002732821 556134885 /nfs/dbraw/zinc/13/48/85/556134885.db2.gz XDMDNKXNHBDDAH-CYBMUJFWSA-N 0 0 428.946 1.315 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC(C)C)ccc1F ZINC000003027819 556157716 /nfs/dbraw/zinc/15/77/16/556157716.db2.gz LEIQXUJZMHINHX-KRWDZBQOSA-N 0 0 429.514 1.150 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccco2)c(C)c1 ZINC000003017183 556158561 /nfs/dbraw/zinc/15/85/61/556158561.db2.gz DNEKKFGTLOUOPM-GOSISDBHSA-N 0 0 449.529 1.375 50 0 IDAARN COc1cc(C(c2c(N)nc(SC)[nH]c2=O)c2c(N)nc(SC)[nH]c2=O)ccc1O ZINC000008382970 556158908 /nfs/dbraw/zinc/15/89/08/556158908.db2.gz NPWYDDYSMPFFLC-UHFFFAOYSA-N 0 0 448.530 1.356 50 0 IDAARN Cn1c2ccc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2c(=O)n(C)c1=O ZINC000008815671 556217015 /nfs/dbraw/zinc/21/70/15/556217015.db2.gz FVFYOIAEENHOLX-UHFFFAOYSA-N 0 0 445.541 1.892 50 0 IDAARN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000008828779 556224876 /nfs/dbraw/zinc/22/48/76/556224876.db2.gz DYKJERXKDLJEJY-SFHVURJKSA-N 0 0 438.527 1.314 50 0 IDAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(C)cc1 ZINC000008834019 556225433 /nfs/dbraw/zinc/22/54/33/556225433.db2.gz QHNUAZWNAPSBQV-PFAUGDHASA-N 0 0 437.445 1.030 50 0 biogenic IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000008870963 556229653 /nfs/dbraw/zinc/22/96/53/556229653.db2.gz RDBSUIUZYABEFH-UHFFFAOYSA-N 0 0 440.543 1.850 50 0 IDAARN Cn1c2nc(N3CCOCC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000009156849 556249529 /nfs/dbraw/zinc/24/95/29/556249529.db2.gz DFIQFXYWUFPXGX-UHFFFAOYSA-N 0 0 444.542 1.662 50 0 IDAARN Nc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000009194178 556254407 /nfs/dbraw/zinc/25/44/07/556254407.db2.gz FWCCSVBUAUGLMK-MRXNPFEDSA-N 0 0 431.499 1.472 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000009306132 556276831 /nfs/dbraw/zinc/27/68/31/556276831.db2.gz ZKSGXQPSMQNOIH-HNNXBMFYSA-N 0 0 427.498 1.527 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000009306130 556276862 /nfs/dbraw/zinc/27/68/62/556276862.db2.gz ZKSGXQPSMQNOIH-OAHLLOKOSA-N 0 0 427.498 1.527 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O)occ3C(C)(C)C ZINC000009306844 556276942 /nfs/dbraw/zinc/27/69/42/556276942.db2.gz XKXWPWPPCOORKR-IRXDYDNUSA-N 0 0 447.509 1.962 50 0 IDAARN Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[NH+]3CCCCC3)cc2)no1 ZINC000013688044 556277815 /nfs/dbraw/zinc/27/78/15/556277815.db2.gz RZVPEYDLJDPPPN-UHFFFAOYSA-N 0 0 435.506 1.324 50 0 IDAARN COc1ccc(-c2nc(SCCN3CCOCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000013692219 556282036 /nfs/dbraw/zinc/28/20/36/556282036.db2.gz GHTYKRRVLDGJPX-UHFFFAOYSA-N 0 0 443.529 1.127 50 0 IDAARN COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccccn3)C(=O)[C@@H]1C2 ZINC000013721968 556290694 /nfs/dbraw/zinc/29/06/94/556290694.db2.gz FYNRDLLNRASIOY-SFHVURJKSA-N 0 0 438.484 1.884 50 0 IDAARN CC(C)NC(=O)NCc1ccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000032741855 556303671 /nfs/dbraw/zinc/30/36/71/556303671.db2.gz NJBWXFQJDMNXIB-UHFFFAOYSA-N 0 0 445.497 1.896 50 0 IDAARN CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000032741956 556303955 /nfs/dbraw/zinc/30/39/55/556303955.db2.gz RSGWXXWKOUJXRU-UHFFFAOYSA-N 0 0 434.426 1.239 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H]2C[C@H](C)OC2=O)CC1 ZINC000032736528 556306584 /nfs/dbraw/zinc/30/65/84/556306584.db2.gz HJVPDWGWJKGTJQ-SWLSCSKDSA-N 0 0 425.459 1.121 50 0 IDAARN C[C@@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C(=O)O1 ZINC000032736516 556306705 /nfs/dbraw/zinc/30/67/05/556306705.db2.gz ANQUOSHHTMNJCN-ACJLOTCBSA-N 0 0 439.486 1.496 50 0 IDAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000032747317 556315901 /nfs/dbraw/zinc/31/59/01/556315901.db2.gz XNVHIHBVIYLFKZ-NSHDSACASA-N 0 0 446.872 1.518 50 0 IDAARN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C(=O)N1CCCCCC1 ZINC000013842733 556317912 /nfs/dbraw/zinc/31/79/12/556317912.db2.gz WAKDBCRKGYMPOC-UHFFFAOYSA-N 0 0 439.578 1.712 50 0 IDAARN COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1OC ZINC000013856696 556321107 /nfs/dbraw/zinc/32/11/07/556321107.db2.gz ZRRPZXCYXBTWNV-INIZCTEOSA-N 0 0 426.425 1.623 50 0 IDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)CC2)C1 ZINC000032755070 556324357 /nfs/dbraw/zinc/32/43/57/556324357.db2.gz YCWMXDIQBLHMGS-USTZCAOPSA-N 0 0 436.644 1.049 50 0 IDAARN CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1 ZINC000010076820 556324942 /nfs/dbraw/zinc/32/49/42/556324942.db2.gz QEBHDFFDYMOCLC-UHFFFAOYSA-N 0 0 446.529 1.411 50 0 IDAARN CCOC(=O)C1=C(CN2C[C@@H](C(=O)NC)Oc3ccccc32)NC(=O)N[C@@H]1c1ccco1 ZINC000032764730 556331937 /nfs/dbraw/zinc/33/19/37/556331937.db2.gz JQQFAYJWMQQASX-PKOBYXMFSA-N 0 0 440.456 1.464 50 0 IDAARN C[C@H](OC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C(=O)N1CCNC1=O ZINC000032774428 556336664 /nfs/dbraw/zinc/33/66/64/556336664.db2.gz URNYFTCXXJCVHM-YUMQZZPRSA-N 0 0 428.228 1.461 50 0 IDAARN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022924990 556342416 /nfs/dbraw/zinc/34/24/16/556342416.db2.gz JXDUMSIACXLSOR-HXUWFJFHSA-N 0 0 429.609 1.646 50 0 IDAARN CCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(CC)c3)CC2)cc1 ZINC000013949853 556344086 /nfs/dbraw/zinc/34/40/86/556344086.db2.gz OWOJECWLCYFBFJ-UHFFFAOYSA-N 0 0 440.591 1.941 50 0 IDAARN CN(C(=O)CCC(=O)c1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000032780665 556345996 /nfs/dbraw/zinc/34/59/96/556345996.db2.gz JMPKUYLYVXVKBM-CYBMUJFWSA-N 0 0 435.283 1.900 50 0 IDAARN CC(=O)N1CCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 ZINC000011782622 556351029 /nfs/dbraw/zinc/35/10/29/556351029.db2.gz QIWOBIBUQIZTOM-QHCPKHFHSA-N 0 0 429.492 1.846 50 0 IDAARN CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1ccccn1)CC2 ZINC000011786818 556353889 /nfs/dbraw/zinc/35/38/89/556353889.db2.gz RZSPBKDUQPKOPG-QDYDYXSASA-N 0 0 438.532 1.621 50 0 IDAARN O=C(CCc1cccnc1)NCc1nnc2n1CCN(C(=O)c1ccc(F)cc1F)CC2 ZINC000011790813 556355797 /nfs/dbraw/zinc/35/57/97/556355797.db2.gz SXWDSSUCNKQDQE-UHFFFAOYSA-N 0 0 440.454 1.899 50 0 IDAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000014018248 556356053 /nfs/dbraw/zinc/35/60/53/556356053.db2.gz JZOOEPIWWBHZBR-SFHVURJKSA-N 0 0 438.412 1.854 50 0 IDAARN O=C(COc1ccccc1Cc1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014083661 556363209 /nfs/dbraw/zinc/36/32/09/556363209.db2.gz LYZAHBQCBLMIOJ-OAQYLSRUSA-N 0 0 428.554 1.988 50 0 IDAARN CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1 ZINC000014092925 556365696 /nfs/dbraw/zinc/36/56/96/556365696.db2.gz CJUSWZQMXVEHOT-UHFFFAOYSA-N 0 0 429.520 1.157 50 0 IDAARN CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000014095053 556366939 /nfs/dbraw/zinc/36/69/39/556366939.db2.gz ZYFWPVOMFOMWAV-MRXNPFEDSA-N 0 0 428.580 1.836 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)c1cccnc1)c(=O)n2Cc1ccccc1 ZINC000014095289 556367189 /nfs/dbraw/zinc/36/71/89/556367189.db2.gz UDKHNCQWAFKBRJ-INIZCTEOSA-N 0 0 432.484 1.700 50 0 IDAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000014112560 556370214 /nfs/dbraw/zinc/37/02/14/556370214.db2.gz BJKBUXQMMZIVNT-UHFFFAOYSA-N 0 0 426.926 1.597 50 0 IDAARN CCOC(=O)c1sc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)nc1C ZINC000014122137 556372557 /nfs/dbraw/zinc/37/25/57/556372557.db2.gz HWHCKUQDZJYUMW-UHFFFAOYSA-N 0 0 445.544 1.963 50 0 IDAARN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000011907621 556374313 /nfs/dbraw/zinc/37/43/13/556374313.db2.gz SDFKCZHUSVQZHT-UHFFFAOYSA-N 0 0 429.498 1.860 50 0 IDAARN CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000014157200 556377482 /nfs/dbraw/zinc/37/74/82/556377482.db2.gz JMEIOKYSEGJZCO-MAUKXSAKSA-N 0 0 435.546 1.940 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)CN(C)C2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000014142397 556377507 /nfs/dbraw/zinc/37/75/07/556377507.db2.gz JBEBZVOTPWZUBJ-UHFFFAOYSA-N 0 0 435.484 1.969 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000014157262 556377810 /nfs/dbraw/zinc/37/78/10/556377810.db2.gz ZTFCDTCGMMSZJI-DSIZOQBWSA-N 0 0 427.457 1.855 50 0 IDAARN COCCn1c(CN2CCC(N3CCOCC3)CC2)cnc1S(=O)(=O)CC(C)(C)C ZINC000011936673 556378637 /nfs/dbraw/zinc/37/86/37/556378637.db2.gz WQVYULYKLSMSHK-UHFFFAOYSA-N 0 0 442.626 1.646 50 0 IDAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)c(C)n1C1CC1 ZINC000014181176 556382443 /nfs/dbraw/zinc/38/24/43/556382443.db2.gz NWLDLPBMWYFAOW-UHFFFAOYSA-N 0 0 430.530 1.685 50 0 IDAARN CN1CC(=O)N(CCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)C1=O ZINC000014183803 556383680 /nfs/dbraw/zinc/38/36/80/556383680.db2.gz HVLFKEHIWJZEEJ-UHFFFAOYSA-N 0 0 434.474 1.371 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)N1CCCN(c2ncccn2)CC1 ZINC000012003179 556385937 /nfs/dbraw/zinc/38/59/37/556385937.db2.gz KPLBUOYQQUMWJG-OAQYLSRUSA-N 0 0 436.560 1.339 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014201704 556392041 /nfs/dbraw/zinc/39/20/41/556392041.db2.gz CJHXPRPUQNGJMD-UHFFFAOYSA-N 0 0 440.566 1.601 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2NS(C)(=O)=O)c1 ZINC000032809828 556394848 /nfs/dbraw/zinc/39/48/48/556394848.db2.gz JSYAAQBFYDFQGW-UHFFFAOYSA-N 0 0 425.532 1.982 50 0 IDAARN Cn1c(N)c(N2CCCCC2)c(=O)n(CCS(=O)(=O)c2ccc(Cl)cc2)c1=O ZINC000032810213 556396316 /nfs/dbraw/zinc/39/63/16/556396316.db2.gz SSMAIZDKQVOCQZ-UHFFFAOYSA-N 0 0 426.926 1.247 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2nn(CN(C)CC(=O)NC(C)C)c(=S)n2c1 ZINC000014229401 556396384 /nfs/dbraw/zinc/39/63/84/556396384.db2.gz JRVQDTBMYXENTI-UHFFFAOYSA-N 0 0 428.584 1.310 50 0 IDAARN O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014231160 556397580 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0 0 433.530 1.412 50 0 IDAARN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000029363212 556473345 /nfs/dbraw/zinc/47/33/45/556473345.db2.gz LXEFWTFHHFNTAP-WIYYLYMNSA-N 0 0 442.560 1.963 50 0 IDAARN O=C(NCc1nnc2n1CCN(C(=O)c1scc3c1CCCC3)CC2)[C@@H]1CCOC1 ZINC000014988701 556473621 /nfs/dbraw/zinc/47/36/21/556473621.db2.gz DASHEVNYHCELQF-CQSZACIVSA-N 0 0 429.546 1.570 50 0 IDAARN COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)[C@H]3CCCO3)n2CC1 ZINC000014991405 556474982 /nfs/dbraw/zinc/47/49/82/556474982.db2.gz PNBVENXMMFXJFH-LJQANCHMSA-N 0 0 429.521 1.191 50 0 IDAARN C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000013127960 556476737 /nfs/dbraw/zinc/47/67/37/556476737.db2.gz KQYXZMUAFZESOO-YPMHNXCESA-N 0 0 439.515 1.573 50 0 IDAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)CSc2nnnn2CC(C)C)CC1 ZINC000029633435 556479351 /nfs/dbraw/zinc/47/93/51/556479351.db2.gz SIKGIPLPNRMNTB-UHFFFAOYSA-N 0 0 445.593 1.767 50 0 IDAARN Cc1nn(CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(=O)c2ccccc12 ZINC000029671308 556479805 /nfs/dbraw/zinc/47/98/05/556479805.db2.gz YJSVVYIRLOUAFF-UHFFFAOYSA-N 0 0 434.452 1.418 50 0 IDAARN COc1ccc(C(=O)NCCc2nnc(SCCN3CCOCC3)n2C)cc1OC ZINC000015002384 556480186 /nfs/dbraw/zinc/48/01/86/556480186.db2.gz ZIHKWFHMLFNMTG-UHFFFAOYSA-N 0 0 435.550 1.229 50 0 IDAARN Cc1cc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)n(-c2nc(C)cc(C)n2)n1 ZINC000032876749 556482335 /nfs/dbraw/zinc/48/23/35/556482335.db2.gz BKPAFSXIOAGJQU-UHFFFAOYSA-N 0 0 428.493 1.766 50 0 IDAARN CCN(C(=O)CN(C)Cc1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013134343 556482364 /nfs/dbraw/zinc/48/23/64/556482364.db2.gz LQHIYRFPEYNNFN-UHFFFAOYSA-N 0 0 439.491 1.791 50 0 IDAARN CCc1ccc(CN(C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000013134601 556482585 /nfs/dbraw/zinc/48/25/85/556482585.db2.gz FQRIZVMEYDXUMP-UHFFFAOYSA-N 0 0 435.528 1.824 50 0 IDAARN NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccnc1N1CCCCC1 ZINC000072289378 556484799 /nfs/dbraw/zinc/48/47/99/556484799.db2.gz QWSMTFCNWYDOHA-IBGZPJMESA-N 0 0 439.516 1.859 50 0 IDAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)OCc1ccccc1 ZINC000072290897 556487585 /nfs/dbraw/zinc/48/75/85/556487585.db2.gz WBFPLCBVKNLGCL-FDDCHVKYSA-N 0 0 436.468 1.335 50 0 IDAARN Cc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000013145527 556487732 /nfs/dbraw/zinc/48/77/32/556487732.db2.gz FZRYQJWUUADCDH-UHFFFAOYSA-N 0 0 441.513 1.913 50 0 IDAARN COc1cccc([C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c2nccn2C)c1 ZINC000029975714 556487894 /nfs/dbraw/zinc/48/78/94/556487894.db2.gz APMIYYUGUQYLIZ-VQTJNVASSA-N 0 0 432.484 1.755 50 0 IDAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 ZINC000013146324 556488367 /nfs/dbraw/zinc/48/83/67/556488367.db2.gz RMTTWKSDGGLKPL-HUUCEWRRSA-N 0 0 436.472 1.890 50 0 IDAARN COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)N(C)C(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000013146695 556488776 /nfs/dbraw/zinc/48/87/76/556488776.db2.gz GRYCXMKNKLYEBT-MJGOQNOKSA-N 0 0 440.456 1.440 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000013148408 556489741 /nfs/dbraw/zinc/48/97/41/556489741.db2.gz DWTHXRCUJSXWLK-UHFFFAOYSA-N 0 0 437.543 1.091 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cn2cc(Br)ccc2=O)c1 ZINC000030042173 556490243 /nfs/dbraw/zinc/49/02/43/556490243.db2.gz ZEMBBWIENVDWBG-UHFFFAOYSA-N 0 0 442.335 1.322 50 0 IDAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000030219836 556491561 /nfs/dbraw/zinc/49/15/61/556491561.db2.gz PXBBWOBLOOTBEX-DEOSSOPVSA-N 0 0 429.480 1.941 50 0 IDAARN CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)c1C ZINC000013163806 556494664 /nfs/dbraw/zinc/49/46/64/556494664.db2.gz LWZLRLBDSOEYGX-OAQYLSRUSA-N 0 0 435.444 1.460 50 0 IDAARN C[C@@H]1c2cccn2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000013164494 556496490 /nfs/dbraw/zinc/49/64/90/556496490.db2.gz ICVDDSWROULFTF-GOSISDBHSA-N 0 0 442.585 1.887 50 0 IDAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c(=O)[nH]c1=O ZINC000013165057 556497959 /nfs/dbraw/zinc/49/79/59/556497959.db2.gz BPZLSHYPPQGIPD-UHFFFAOYSA-N 0 0 437.460 1.490 50 0 IDAARN CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000013204741 556498602 /nfs/dbraw/zinc/49/86/02/556498602.db2.gz SLFWJEMFJFUMCI-AWEZNQCLSA-N 0 0 431.493 1.094 50 0 IDAARN Cc1nonc1CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000015075390 556498906 /nfs/dbraw/zinc/49/89/06/556498906.db2.gz JWZRXCHHMXBPRO-SFHVURJKSA-N 0 0 426.521 1.683 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000030665006 556501374 /nfs/dbraw/zinc/50/13/74/556501374.db2.gz HWOPTVZKEPNWLU-HZPDHXFCSA-N 0 0 429.970 1.771 50 0 IDAARN Cc1nn(Cc2noc(C(=O)NCCNC(=O)c3cccnc3)n2)c(C)c1Br ZINC000015082242 556501702 /nfs/dbraw/zinc/50/17/02/556501702.db2.gz FTBMSWOYLJKYRS-UHFFFAOYSA-N 0 0 448.281 1.249 50 0 IDAARN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)NCC(C)C ZINC000004554374 556502957 /nfs/dbraw/zinc/50/29/57/556502957.db2.gz IXLUPQLFBVPISB-QGZVFWFLSA-N 0 0 427.542 1.956 50 0 IDAARN O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000013465420 556506852 /nfs/dbraw/zinc/50/68/52/556506852.db2.gz JMIDNHNLLUIISU-OAQYLSRUSA-N 0 0 439.468 1.381 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000015164501 556507268 /nfs/dbraw/zinc/50/72/68/556507268.db2.gz SAKFWHBEISFNLE-UHFFFAOYSA-N 0 0 442.501 1.350 50 0 IDAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCC(=O)NC(C)(C)C)ccc2Cl)C[C@H](C)O1 ZINC000015175916 556508138 /nfs/dbraw/zinc/50/81/38/556508138.db2.gz NYUQEKXZSSHTKY-STQMWFEESA-N 0 0 445.969 1.782 50 0 IDAARN CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)cnc21 ZINC000030867759 556512826 /nfs/dbraw/zinc/51/28/26/556512826.db2.gz DZMVWYNYEFQRJR-UHFFFAOYSA-N 0 0 426.473 1.827 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1ccc2c(c1)OCO2 ZINC000015271676 556513999 /nfs/dbraw/zinc/51/39/99/556513999.db2.gz AZKZATZYGZMEML-UHFFFAOYSA-N 0 0 434.470 1.561 50 0 IDAARN COc1ccc(CCNC(=O)[C@@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1OC ZINC000013549218 556514638 /nfs/dbraw/zinc/51/46/38/556514638.db2.gz KOSVNBKRFJMXPH-CQSZACIVSA-N 0 0 438.484 1.759 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000013554325 556515546 /nfs/dbraw/zinc/51/55/46/556515546.db2.gz GCCQPAUKLTVVHL-BETUJISGSA-N 0 0 449.914 1.884 50 0 IDAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000013554565 556515900 /nfs/dbraw/zinc/51/59/00/556515900.db2.gz YXGJMEQDANLPBV-GOEBONIOSA-N 0 0 439.468 1.598 50 0 IDAARN CCc1cc(=O)oc2cc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 ZINC000013554624 556515908 /nfs/dbraw/zinc/51/59/08/556515908.db2.gz DSLQZAAXTPPFHT-UHFFFAOYSA-N 0 0 430.482 1.741 50 0 IDAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC[C@H]1CCCO1 ZINC000013556849 556516857 /nfs/dbraw/zinc/51/68/57/556516857.db2.gz KOBULAIZZHXQEQ-NBQZKYEYSA-N 0 0 431.489 1.204 50 0 IDAARN CN(c1ccc(OCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1)S(C)(=O)=O ZINC000030952847 556517991 /nfs/dbraw/zinc/51/79/91/556517991.db2.gz NNWUPRGRVLQYNN-UHFFFAOYSA-N 0 0 431.514 1.904 50 0 IDAARN Cc1nc(CN2CCN([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cs1 ZINC000032889913 556519002 /nfs/dbraw/zinc/51/90/02/556519002.db2.gz USGHWZHASREZJJ-INIZCTEOSA-N 0 0 431.562 1.535 50 0 IDAARN COc1ccccc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000013566752 556520248 /nfs/dbraw/zinc/52/02/48/556520248.db2.gz XHXZGQWAFBTRFG-UHFFFAOYSA-N 0 0 433.530 1.339 50 0 IDAARN Cc1nn(C)c(=O)c(C(=O)N2CSC[C@@H]2C(=O)NCCSCc2ccccc2)c1C ZINC000072296580 556522215 /nfs/dbraw/zinc/52/22/15/556522215.db2.gz CYWXVBLPUUYIKE-QGZVFWFLSA-N 0 0 446.598 1.962 50 0 IDAARN Cc1cc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2c(C)cc(=O)oc2c1 ZINC000013571737 556522550 /nfs/dbraw/zinc/52/25/50/556522550.db2.gz SEJFKXVGMGAXHN-UHFFFAOYSA-N 0 0 430.482 1.795 50 0 IDAARN COc1cccc(/C=C2\SC(=O)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)c1 ZINC000013574669 556524660 /nfs/dbraw/zinc/52/46/60/556524660.db2.gz XUTAXMXYCRHFEI-HNDQUVLASA-N 0 0 438.527 1.767 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000013575149 556525271 /nfs/dbraw/zinc/52/52/71/556525271.db2.gz BRHWZDNYISBXQS-BUYRESAOSA-N 0 0 426.491 1.898 50 0 IDAARN Cn1c2cc(Cl)c(S(=O)(=O)NCc3ccc4c(c3)n(C)c(=O)n4C)cc2oc1=O ZINC000013577059 556526474 /nfs/dbraw/zinc/52/64/74/556526474.db2.gz WMBSUJGPTTYDGJ-UHFFFAOYSA-N 0 0 436.877 1.454 50 0 IDAARN O=C(CNC(=O)COc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015436469 556527603 /nfs/dbraw/zinc/52/76/03/556527603.db2.gz ISSDJEVRXXNSQI-UHFFFAOYSA-N 0 0 431.514 1.995 50 0 IDAARN CCOC(=O)c1c2c(sc1NC(=O)C(=O)NCCN1CCOCC1)COC(C)(C)C2 ZINC000013592865 556530961 /nfs/dbraw/zinc/53/09/61/556530961.db2.gz KWDDPJUSSJRWKG-UHFFFAOYSA-N 0 0 439.534 1.163 50 0 IDAARN Cc1cnc2c(cccc2S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000032899597 556530996 /nfs/dbraw/zinc/53/09/96/556530996.db2.gz OPMBTMVPOKPRJN-QGZVFWFLSA-N 0 0 430.530 1.420 50 0 IDAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000013608039 556533591 /nfs/dbraw/zinc/53/35/91/556533591.db2.gz WIOUQTGYNRPRCA-CQSZACIVSA-N 0 0 429.450 1.848 50 0 biogenic IDAARN O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)NCc1ccco1 ZINC000015546080 556534125 /nfs/dbraw/zinc/53/41/25/556534125.db2.gz OBFVVLUHMRUYAC-IBGZPJMESA-N 0 0 426.473 1.886 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)oc1c3CCCC1 ZINC000013628424 556538218 /nfs/dbraw/zinc/53/82/18/556538218.db2.gz SMQCJKQDZFQTHC-IAGOWNOFSA-N 0 0 445.493 1.543 50 0 IDAARN CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 ZINC000013629000 556538542 /nfs/dbraw/zinc/53/85/42/556538542.db2.gz WRGMRLARACOQRP-KDOFPFPSSA-N 0 0 425.526 1.646 50 0 IDAARN CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000032579274 556541299 /nfs/dbraw/zinc/54/12/99/556541299.db2.gz JHSHPEBZWMQLPN-HNNXBMFYSA-N 0 0 447.561 1.677 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)NC3CCCCC3)C2)cc1 ZINC000013655066 556546093 /nfs/dbraw/zinc/54/60/93/556546093.db2.gz VSCRLDHVPJDQHP-INIZCTEOSA-N 0 0 437.562 1.661 50 0 IDAARN CN1CCc2nc(NC(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)sc2C1 ZINC000032722076 556547774 /nfs/dbraw/zinc/54/77/74/556547774.db2.gz LMGQSKIQPNAEIM-NRFANRHFSA-N 0 0 425.514 1.853 50 0 IDAARN Cc1csc(=O)n1CC(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000032726768 556548406 /nfs/dbraw/zinc/54/84/06/556548406.db2.gz MAZFMTFTLZCIGH-ZDUSSCGKSA-N 0 0 441.531 1.347 50 0 IDAARN COc1cc(-c2nnc(SCC(=O)O[C@@H]3CCS(=O)(=O)C3)o2)cc(OC)c1OC ZINC000015850541 556557417 /nfs/dbraw/zinc/55/74/17/556557417.db2.gz HEPRBZXKFKFQPF-LLVKDONJSA-N 0 0 444.487 1.585 50 0 IDAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015899642 556562226 /nfs/dbraw/zinc/56/22/26/556562226.db2.gz JKJSAHRVLZNIEH-GJZGRUSLSA-N 0 0 442.509 1.793 50 0 IDAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015899635 556562236 /nfs/dbraw/zinc/56/22/36/556562236.db2.gz JKJSAHRVLZNIEH-HUUCEWRRSA-N 0 0 442.509 1.793 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000015910099 556562805 /nfs/dbraw/zinc/56/28/05/556562805.db2.gz HWMFLKUDCYRVSS-UHFFFAOYSA-N 0 0 443.481 1.882 50 0 IDAARN CCOC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000015936997 556566008 /nfs/dbraw/zinc/56/60/08/556566008.db2.gz OEXFLALDYXPMMB-HXUWFJFHSA-N 0 0 438.484 1.909 50 0 IDAARN O=C(Cn1nnc(CCN2C(=O)c3ccccc3C2=O)n1)N1CCCc2cccc(F)c21 ZINC000032909121 556568865 /nfs/dbraw/zinc/56/88/65/556568865.db2.gz BNTBSMODUFNXMG-UHFFFAOYSA-N 0 0 434.431 1.630 50 0 IDAARN COC(=O)[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000072309262 556569431 /nfs/dbraw/zinc/56/94/31/556569431.db2.gz YHZNHJXVOIVUGI-MRXNPFEDSA-N 0 0 448.900 1.280 50 0 IDAARN COc1ccc2oc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)c2c1 ZINC000032910478 556575935 /nfs/dbraw/zinc/57/59/35/556575935.db2.gz ATEDPJLSJGVWPZ-UHFFFAOYSA-N 0 0 446.481 1.913 50 0 IDAARN NS(=O)(=O)CCN1CCN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000072309848 556577586 /nfs/dbraw/zinc/57/75/86/556577586.db2.gz VJOLMMNQNXDSFL-UHFFFAOYSA-N 0 0 431.518 1.377 50 0 IDAARN COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000016048373 556580775 /nfs/dbraw/zinc/58/07/75/556580775.db2.gz WEYARUAFUNRDAO-QHCPKHFHSA-N 0 0 439.468 1.940 50 0 IDAARN COc1ccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000016050770 556581223 /nfs/dbraw/zinc/58/12/23/556581223.db2.gz IKJNZKBDYABLAX-GOSISDBHSA-N 0 0 429.546 1.686 50 0 IDAARN CC(=O)N1CCC(N(C(=O)COc2ccccc2C(=O)NC[C@@H]2CCCO2)C2CC2)CC1 ZINC000016080186 556581711 /nfs/dbraw/zinc/58/17/11/556581711.db2.gz RKQVPBSHEZMTPA-FQEVSTJZSA-N 0 0 443.544 1.976 50 0 IDAARN Cc1cccc(N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)c1C ZINC000034864570 556584392 /nfs/dbraw/zinc/58/43/92/556584392.db2.gz FUSSCYSLKOGBIA-UHFFFAOYSA-N 0 0 427.549 1.407 50 0 IDAARN CC(C)CN(C(=O)CN1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000034875413 556585359 /nfs/dbraw/zinc/58/53/59/556585359.db2.gz JSBNMLGWVXNSCW-UHFFFAOYSA-N 0 0 427.549 1.822 50 0 IDAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)CC1 ZINC000034886174 556585565 /nfs/dbraw/zinc/58/55/65/556585565.db2.gz HNBUQZBZZYNHPZ-UHFFFAOYSA-N 0 0 437.543 1.279 50 0 IDAARN COc1ccc(CCNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000034896061 556586092 /nfs/dbraw/zinc/58/60/92/556586092.db2.gz PZOXKRUAVXITMQ-UHFFFAOYSA-N 0 0 445.585 1.977 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](O)CN3CCCC3=O)c2)c1 ZINC000072311670 556588282 /nfs/dbraw/zinc/58/82/82/556588282.db2.gz YLNAQNWESZMWMT-IBGZPJMESA-N 0 0 445.541 1.817 50 0 IDAARN CC1(C)Cc2nc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)sc2C(=O)C1 ZINC000032913551 556594082 /nfs/dbraw/zinc/59/40/82/556594082.db2.gz SPBHDSAFRWUERY-UHFFFAOYSA-N 0 0 426.506 1.986 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000036289239 556596278 /nfs/dbraw/zinc/59/62/78/556596278.db2.gz GURIMNNRPZSSON-UHFFFAOYSA-N 0 0 439.559 1.456 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000036351203 556597022 /nfs/dbraw/zinc/59/70/22/556597022.db2.gz OHFFJADYAGDKDI-UHFFFAOYSA-N 0 0 430.958 1.635 50 0 IDAARN COCCCNC(=O)c1nnn(-c2cccc3c2CCN(S(=O)(=O)C(C)C)C3)c1C ZINC000071890460 556608509 /nfs/dbraw/zinc/60/85/09/556608509.db2.gz NKSBBBJNIMFKFK-UHFFFAOYSA-N 0 0 435.550 1.438 50 0 IDAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccnn1Cc1ccco1 ZINC000032988112 556608792 /nfs/dbraw/zinc/60/87/92/556608792.db2.gz SPPHKURMFBMKJK-UHFFFAOYSA-N 0 0 436.515 1.788 50 0 IDAARN O=C(c1sccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1)N1CCOCC1 ZINC000016479872 556611331 /nfs/dbraw/zinc/61/13/31/556611331.db2.gz SKFREJGNHRHCRP-UHFFFAOYSA-N 0 0 435.571 1.727 50 0 IDAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccccn2)C1=O ZINC000032915319 556612040 /nfs/dbraw/zinc/61/20/40/556612040.db2.gz YELDCDLIAKRNIX-QFIPXVFZSA-N 0 0 426.473 1.915 50 0 IDAARN COc1ccc(OC)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000016522194 556613812 /nfs/dbraw/zinc/61/38/12/556613812.db2.gz FZESYJNTURRTJE-UHFFFAOYSA-N 0 0 437.493 1.788 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000016626967 556618889 /nfs/dbraw/zinc/61/88/89/556618889.db2.gz XKCVHQKDPBNKQO-UHFFFAOYSA-N 0 0 440.909 1.505 50 0 IDAARN CN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccccc3c1=O)C(=O)N2CCN1CCOCC1 ZINC000016742335 556636275 /nfs/dbraw/zinc/63/62/75/556636275.db2.gz HYQFLYPUPITGTK-VWLOTQADSA-N 0 0 445.475 1.801 50 0 IDAARN Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000409414244 556639507 /nfs/dbraw/zinc/63/95/07/556639507.db2.gz JJIYIYXHWWGXJY-NVXWUHKLSA-N 0 0 435.546 1.917 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000409413186 556640412 /nfs/dbraw/zinc/64/04/12/556640412.db2.gz CWLSJVYRWQAWMY-QGZVFWFLSA-N 0 0 427.457 1.839 50 0 IDAARN CNC(=O)[C@@H]1CN(CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)c2ccccc2O1 ZINC000247952871 556649085 /nfs/dbraw/zinc/64/90/85/556649085.db2.gz MPSRXPFYPHKIQK-PXNSSMCTSA-N 0 0 449.573 1.348 50 0 IDAARN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000100697245 556650648 /nfs/dbraw/zinc/65/06/48/556650648.db2.gz SJWDWGSGUKIIHK-IAGOWNOFSA-N 0 0 441.484 1.768 50 0 IDAARN CCOc1ccc(NC(=O)CSc2nc(CC)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000011758069 556651963 /nfs/dbraw/zinc/65/19/63/556651963.db2.gz OPLQCWAAVZJJIM-UHFFFAOYSA-N 0 0 429.502 1.719 50 0 IDAARN COc1ccc(NC(=O)CSc2nc(C3CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000011758107 556652227 /nfs/dbraw/zinc/65/22/27/556652227.db2.gz SWLQIKBDIHFTEA-UHFFFAOYSA-N 0 0 427.486 1.644 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)CC1 ZINC000011758422 556652708 /nfs/dbraw/zinc/65/27/08/556652708.db2.gz FEABKGRRVZCDLV-UHFFFAOYSA-N 0 0 444.879 1.536 50 0 IDAARN CCCCN1C(=O)NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C1=O ZINC000017016894 556653017 /nfs/dbraw/zinc/65/30/17/556653017.db2.gz IUABTZSJJDEPRP-MWTRTKDXSA-N 0 0 437.500 1.865 50 0 IDAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000033005229 556655123 /nfs/dbraw/zinc/65/51/23/556655123.db2.gz YJTKFVAOBASDQV-QGZVFWFLSA-N 0 0 425.457 1.683 50 0 IDAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc(C(N)=O)nn3)cc2)c(OC)c1OC ZINC000032926646 556655729 /nfs/dbraw/zinc/65/57/29/556655729.db2.gz RUXZATPVKBQRAJ-LBPRGKRZSA-N 0 0 425.445 1.883 50 0 IDAARN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1Cl)C(=O)NCCN1CCOCC1 ZINC000032927486 556656355 /nfs/dbraw/zinc/65/63/55/556656355.db2.gz WVWUOKQMPZTTTC-CRAIPNDOSA-N 0 0 431.986 1.790 50 0 IDAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000248057791 556659209 /nfs/dbraw/zinc/65/92/09/556659209.db2.gz CGNGIIYKNQJDQR-YLJYHZDGSA-N 0 0 449.573 1.713 50 0 IDAARN CCCn1c(C(=O)N(CC(=O)OCC)Cc2ccccc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845332 556660852 /nfs/dbraw/zinc/66/08/52/556660852.db2.gz SPGJNOZQAPLTKN-UHFFFAOYSA-N 0 0 440.500 1.654 50 0 IDAARN COC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1 ZINC000011858236 556663501 /nfs/dbraw/zinc/66/35/01/556663501.db2.gz TUAQJUOQLVRPDC-LBPRGKRZSA-N 0 0 438.483 1.587 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1OC ZINC000011858250 556663510 /nfs/dbraw/zinc/66/35/10/556663510.db2.gz VCZBIOOEPBBGAQ-GFCCVEGCSA-N 0 0 440.499 1.817 50 0 IDAARN CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3NC=C[C@@]3(O)C(F)(F)F)C2)c(C)n1 ZINC000017101266 556665934 /nfs/dbraw/zinc/66/59/34/556665934.db2.gz VPJSUTRZBAGHIW-IUODEOHRSA-N 0 0 437.444 1.081 50 0 IDAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)C1 ZINC000011905992 556671278 /nfs/dbraw/zinc/67/12/78/556671278.db2.gz MYUUTELWWMNNNC-AWEZNQCLSA-N 0 0 444.531 1.025 50 0 IDAARN COC(=O)c1cccc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1 ZINC000011906057 556671290 /nfs/dbraw/zinc/67/12/90/556671290.db2.gz HKDFWGIQGKMBGR-UHFFFAOYSA-N 0 0 438.483 1.649 50 0 IDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1F ZINC000011906101 556671301 /nfs/dbraw/zinc/67/13/01/556671301.db2.gz VFNVGGZZJZMZAI-UHFFFAOYSA-N 0 0 428.463 1.379 50 0 IDAARN O=C(CN1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1)NCc1ccccc1 ZINC000032932835 556676076 /nfs/dbraw/zinc/67/60/76/556676076.db2.gz KRRJXWYZFLSLLW-UHFFFAOYSA-N 0 0 446.573 1.498 50 0 IDAARN O=C(CN1CCN(CCC(=O)N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000032932815 556676083 /nfs/dbraw/zinc/67/60/83/556676083.db2.gz WJTIZYHUKPELIK-UHFFFAOYSA-N 0 0 444.454 1.390 50 0 IDAARN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1ccc(S(=O)(=O)N(C)C)o1 ZINC000032934822 556677721 /nfs/dbraw/zinc/67/77/21/556677721.db2.gz PTFOKLNOKQINQJ-UHFFFAOYSA-N 0 0 442.515 1.636 50 0 IDAARN CSc1nc2ncn(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)c(=O)c2s1 ZINC000032936552 556678706 /nfs/dbraw/zinc/67/87/06/556678706.db2.gz QGUKMOIQFPIZRO-NSHDSACASA-N 0 0 430.577 1.247 50 0 IDAARN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000011998257 556679674 /nfs/dbraw/zinc/67/96/74/556679674.db2.gz MLTWFNABXYNZJZ-UHFFFAOYSA-N 0 0 449.510 1.545 50 0 IDAARN Cc1ccc(CC(=O)N(CCc2ccccc2)CCS(=O)(=O)N2CCNCC2)cc1 ZINC000046140871 556691713 /nfs/dbraw/zinc/69/17/13/556691713.db2.gz SFPGOKIPHIJPTL-UHFFFAOYSA-N 0 0 429.586 1.844 50 0 IDAARN CCN(C(=O)[C@@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000024224310 556694578 /nfs/dbraw/zinc/69/45/78/556694578.db2.gz RZIDMFHIHFURHG-ZBFHGGJFSA-N 0 0 439.530 1.746 50 0 IDAARN CCN(C(=O)[C@H](C)OC(=O)COc1cccc2c1OC(C)(C)C2)[C@H]1CCS(=O)(=O)C1 ZINC000024224332 556694603 /nfs/dbraw/zinc/69/46/03/556694603.db2.gz RZIDMFHIHFURHG-HOCLYGCPSA-N 0 0 439.530 1.746 50 0 IDAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000072314025 556694741 /nfs/dbraw/zinc/69/47/41/556694741.db2.gz ZHNOMWLXBBYEAI-HNNXBMFYSA-N 0 0 445.545 1.583 50 0 IDAARN CC[C@]1(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292223 556695194 /nfs/dbraw/zinc/69/51/94/556695194.db2.gz DFHCCZMCAHMXRI-FQEVSTJZSA-N 0 0 441.619 1.296 50 0 IDAARN COCCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033024628 556696182 /nfs/dbraw/zinc/69/61/82/556696182.db2.gz YHWKBXXNIFYIQC-UHFFFAOYSA-N 0 0 447.517 1.414 50 0 IDAARN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000013548349 556696716 /nfs/dbraw/zinc/69/67/16/556696716.db2.gz GNXSDTZKJJOENM-MJGOQNOKSA-N 0 0 429.542 1.908 50 0 IDAARN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C ZINC000072314232 556696790 /nfs/dbraw/zinc/69/67/90/556696790.db2.gz FQYFAWFACCVTML-LLVKDONJSA-N 0 0 428.536 1.309 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cn1C ZINC000033027049 556704403 /nfs/dbraw/zinc/70/44/03/556704403.db2.gz IYNYZOIPTHHIGF-UHFFFAOYSA-N 0 0 449.552 1.617 50 0 IDAARN COc1cc2ncn(CCCC(=O)N3CCC[C@@H](NC(=O)C(C)C)C3)c(=O)c2cc1OC ZINC000060344850 556714735 /nfs/dbraw/zinc/71/47/35/556714735.db2.gz DFBXXTKPYYDJPB-MRXNPFEDSA-N 0 0 444.532 1.957 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)n1 ZINC000072325335 556723353 /nfs/dbraw/zinc/72/33/53/556723353.db2.gz PLHFVCVNUQGRTQ-INIZCTEOSA-N 0 0 442.497 1.839 50 0 biogenic IDAARN O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000061719161 556726085 /nfs/dbraw/zinc/72/60/85/556726085.db2.gz AYUSNURLLSIJMS-ZLHKHBAESA-N 0 0 444.557 1.010 50 0 IDAARN COc1ccc2[nH]c(CCNC(=O)C[C@H]3C(=O)NCCN3Cc3ccccc3F)nc2c1 ZINC000053523476 556726711 /nfs/dbraw/zinc/72/67/11/556726711.db2.gz ICVCAQCXYODIPF-FQEVSTJZSA-N 0 0 439.491 1.760 50 0 IDAARN COCCn1c(=O)[nH]c(=O)c2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000061720944 556727758 /nfs/dbraw/zinc/72/77/58/556727758.db2.gz UMUYXLGUVCEZRR-LLVKDONJSA-N 0 0 426.351 1.916 50 0 IDAARN COc1cccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3cccc(F)c3)CC2)c1 ZINC000055119605 556735299 /nfs/dbraw/zinc/73/52/99/556735299.db2.gz NELAQVBNKBFPMM-QFIPXVFZSA-N 0 0 440.519 1.874 50 0 IDAARN Cc1nc2[nH]ccc2c(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000079061601 556738116 /nfs/dbraw/zinc/73/81/16/556738116.db2.gz GZGRHXTXYFIQGR-UHFFFAOYSA-N 0 0 436.538 1.337 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)N1CCN(C(=O)c2cccs2)CC1 ZINC000055254289 556738891 /nfs/dbraw/zinc/73/88/91/556738891.db2.gz ZZJMCJYUFWIPHT-SFHVURJKSA-N 0 0 444.532 1.562 50 0 IDAARN COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000055399355 556741235 /nfs/dbraw/zinc/74/12/35/556741235.db2.gz GLZBMLCHDULISZ-UHFFFAOYSA-N 0 0 428.464 1.347 50 0 IDAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(N)=O)C1=O ZINC000057996329 556751569 /nfs/dbraw/zinc/75/15/69/556751569.db2.gz HXNWWGKWHGSDEI-NLFFAJNJSA-N 0 0 444.491 1.820 50 0 IDAARN O=C(NCc1ccnc(Oc2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000057996124 556751613 /nfs/dbraw/zinc/75/16/13/556751613.db2.gz IKRHFEJOFBTPQF-IAGOWNOFSA-N 0 0 429.498 1.526 50 0 IDAARN O=C(NCc1ccnc(Oc2ccccc2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000057996138 556751635 /nfs/dbraw/zinc/75/16/35/556751635.db2.gz IKRHFEJOFBTPQF-IRXDYDNUSA-N 0 0 429.498 1.526 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)c3ccccc3)CC2=O)cc1OC ZINC000058005319 556752725 /nfs/dbraw/zinc/75/27/25/556752725.db2.gz OJVOMWVAOOBARE-OAHLLOKOSA-N 0 0 432.498 1.647 50 0 IDAARN CCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CN1CCN(CC)C(=O)C1=O ZINC000058009275 556752774 /nfs/dbraw/zinc/75/27/74/556752774.db2.gz SAKONPMKXQQRDN-UHFFFAOYSA-N 0 0 443.422 1.288 50 0 IDAARN Cn1ccnc1[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000010656682 556755704 /nfs/dbraw/zinc/75/57/04/556755704.db2.gz IXJRBELMLUHZBJ-IBGZPJMESA-N 0 0 441.488 1.894 50 0 IDAARN C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C[C@H](O)c2ccc3c(c2)OCO3)C1=O ZINC000058105555 556758459 /nfs/dbraw/zinc/75/84/59/556758459.db2.gz DTFADJSNGLVDLA-YWZLYKJASA-N 0 0 432.454 1.319 50 0 IDAARN C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C[C@H](O)c2ccc3c(c2)OCO3)C1=O ZINC000058105562 556758504 /nfs/dbraw/zinc/75/85/04/556758504.db2.gz DTFADJSNGLVDLA-MGPUTAFESA-N 0 0 432.454 1.319 50 0 IDAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000058154529 556762223 /nfs/dbraw/zinc/76/22/23/556762223.db2.gz QXVYTXGQOYEDCX-QUCCMNQESA-N 0 0 444.557 1.265 50 0 IDAARN CN(Cc1cccc(F)c1)C(=O)COC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000058159926 556764089 /nfs/dbraw/zinc/76/40/89/556764089.db2.gz NWEJCVPQAJAHOR-UHFFFAOYSA-N 0 0 437.427 1.965 50 0 IDAARN CS(=O)(=O)Nc1cccc(NC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)c1 ZINC000062022701 556765935 /nfs/dbraw/zinc/76/59/35/556765935.db2.gz RMAUHVFSRCOCLI-UHFFFAOYSA-N 0 0 441.517 1.889 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)N3CCN(CCn4nc(C)cc4C)CC3)CC2=O)c1 ZINC000062022065 556766022 /nfs/dbraw/zinc/76/60/22/556766022.db2.gz YZUJJRZMJIZQLS-LJQANCHMSA-N 0 0 425.533 1.706 50 0 IDAARN CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1 ZINC000062022888 556766240 /nfs/dbraw/zinc/76/62/40/556766240.db2.gz AMBFVOCZNBQCQJ-OAHLLOKOSA-N 0 0 441.517 1.889 50 0 IDAARN CCOc1ccc(NC(=O)[C@@H]2CSCN2C(C)=O)cc1S(=O)(=O)N1CCCC1 ZINC000058168041 556767342 /nfs/dbraw/zinc/76/73/42/556767342.db2.gz JFFLCRYBCYYHIK-HNNXBMFYSA-N 0 0 427.548 1.730 50 0 IDAARN CN(C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1ccccc1 ZINC000058179572 556769976 /nfs/dbraw/zinc/76/99/76/556769976.db2.gz ZAIAHUHWHRZZHU-GOSISDBHSA-N 0 0 432.546 1.777 50 0 IDAARN CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C[C@H]1CCCO1 ZINC000058229011 556774015 /nfs/dbraw/zinc/77/40/15/556774015.db2.gz QISYGRNAFVJSOZ-CQSZACIVSA-N 0 0 431.942 1.410 50 0 IDAARN CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C[C@@H]1CCCO1 ZINC000058229007 556774093 /nfs/dbraw/zinc/77/40/93/556774093.db2.gz QISYGRNAFVJSOZ-AWEZNQCLSA-N 0 0 431.942 1.410 50 0 IDAARN O=C(CNC(=O)C1CCN(C(=O)C2CC2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000058279230 556777198 /nfs/dbraw/zinc/77/71/98/556777198.db2.gz JALBLYHQRGXONK-UHFFFAOYSA-N 0 0 432.952 1.753 50 0 IDAARN CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3cnc4c(cnn4C)c3=O)n2)c(F)c1 ZINC000011177980 556777741 /nfs/dbraw/zinc/77/77/41/556777741.db2.gz IETLENIMPPYPSQ-UHFFFAOYSA-N 0 0 441.448 1.990 50 0 IDAARN O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000058298016 556778364 /nfs/dbraw/zinc/77/83/64/556778364.db2.gz PFTVSYYEWFERJI-ZIAGYGMSSA-N 0 0 426.395 1.473 50 0 IDAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000058304846 556778591 /nfs/dbraw/zinc/77/85/91/556778591.db2.gz VMDVZUDCEUKQBH-UHFFFAOYSA-N 0 0 440.342 1.159 50 0 IDAARN COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000058298235 556778597 /nfs/dbraw/zinc/77/85/97/556778597.db2.gz BZFLVNVYPHVOLG-VBQJREDUSA-N 0 0 425.507 1.654 50 0 IDAARN CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 ZINC000058439219 556788736 /nfs/dbraw/zinc/78/87/36/556788736.db2.gz NVXVJDOQBGWKSB-AWEZNQCLSA-N 0 0 429.974 1.910 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1C ZINC000019533652 556793497 /nfs/dbraw/zinc/79/34/97/556793497.db2.gz GKAWGIJDSAHRJB-UHFFFAOYSA-N 0 0 439.578 1.243 50 0 IDAARN NC(=O)CNC(=O)c1cccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1 ZINC000059253029 556796183 /nfs/dbraw/zinc/79/61/83/556796183.db2.gz KAGCMXMKEATNQC-UHFFFAOYSA-N 0 0 448.273 1.617 50 0 IDAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCC(=O)NCC(F)(F)F ZINC000059325562 556797951 /nfs/dbraw/zinc/79/79/51/556797951.db2.gz HGAWRFFRVCCGPY-SFHVURJKSA-N 0 0 426.395 1.170 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002630714 556801131 /nfs/dbraw/zinc/80/11/31/556801131.db2.gz HBAGBQXOVCKGTN-UHFFFAOYSA-N 0 0 445.950 1.850 50 0 IDAARN COc1ccc(CCNC(=O)c2ccc(N(C)C)c(S(=O)(=O)N(C)C)c2)c(OC)c1 ZINC000033052981 556803311 /nfs/dbraw/zinc/80/33/11/556803311.db2.gz IKPOQTKHRCCPLK-UHFFFAOYSA-N 0 0 435.546 1.993 50 0 biogenic IDAARN Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000033053022 556803366 /nfs/dbraw/zinc/80/33/66/556803366.db2.gz MOQDWBVUYHLJKA-UHFFFAOYSA-N 0 0 449.529 1.376 50 0 IDAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000003247562 556804527 /nfs/dbraw/zinc/80/45/27/556804527.db2.gz QEKKAZYLRCBBMX-UHFFFAOYSA-N 0 0 448.453 1.232 50 0 IDAARN COCCCNC(=O)Cn1nc(C)c2nn(-c3ccc(F)cc3)c(-n3cccc3)c2c1=O ZINC000033058077 556807522 /nfs/dbraw/zinc/80/75/22/556807522.db2.gz ZKFJJEOFRUCFRY-UHFFFAOYSA-N 0 0 438.463 1.973 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3CCc2ccccc2)n(C)c1=O ZINC000005461396 556808953 /nfs/dbraw/zinc/80/89/53/556808953.db2.gz XNVBCYJMGHGXNM-HNNXBMFYSA-N 0 0 425.489 1.159 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3CCc2ccccc2)n(C)c1=O ZINC000005461389 556811489 /nfs/dbraw/zinc/81/14/89/556811489.db2.gz XNVBCYJMGHGXNM-OAHLLOKOSA-N 0 0 425.489 1.159 50 0 IDAARN Cc1cc(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)ccc1Br ZINC000003397331 556814357 /nfs/dbraw/zinc/81/43/57/556814357.db2.gz CJRYZPQHBJYUOP-UHFFFAOYSA-N 0 0 439.291 1.973 50 0 IDAARN O=C([O-])[C@H](CC(=O)Nc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000072403289 556822712 /nfs/dbraw/zinc/82/27/12/556822712.db2.gz VTXNKDSRSZMJDF-MRXNPFEDSA-N 0 0 426.473 1.658 50 0 IDAARN O=C(CCn1cnc2ccccc2c1=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O ZINC000206636655 556823427 /nfs/dbraw/zinc/82/34/27/556823427.db2.gz UEMRYJXSGBHEEI-UHFFFAOYSA-N 0 0 445.483 1.358 50 0 IDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2)cc1OC ZINC000019589736 556824562 /nfs/dbraw/zinc/82/45/62/556824562.db2.gz RRUXSVNGAYQZMP-UHFFFAOYSA-N 0 0 433.530 1.673 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(-n3cccn3)nc(C)n2)CC1 ZINC000065364272 556835614 /nfs/dbraw/zinc/83/56/14/556835614.db2.gz MMTQFLMGKJYMAC-UHFFFAOYSA-N 0 0 428.518 1.799 50 0 IDAARN O=C(COc1coc(CN2CCC(=O)CC2)cc1=O)N1CCN(c2ccccc2)CC1 ZINC000072404415 556836397 /nfs/dbraw/zinc/83/63/97/556836397.db2.gz LLKOAEXWXKETCE-UHFFFAOYSA-N 0 0 425.485 1.532 50 0 IDAARN COc1ccc(-c2noc(CCN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)n2)cc1OC ZINC000072404422 556836534 /nfs/dbraw/zinc/83/65/34/556836534.db2.gz DFKCSGRCAROIQC-MRXNPFEDSA-N 0 0 436.534 1.101 50 0 IDAARN Cn1cccc1C(=O)NCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000023003367 556841684 /nfs/dbraw/zinc/84/16/84/556841684.db2.gz PLXRTGGRNKHCBI-UHFFFAOYSA-N 0 0 446.554 1.725 50 0 IDAARN Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008724884 556843553 /nfs/dbraw/zinc/84/35/53/556843553.db2.gz QJKNAXXYVIFRKD-UHFFFAOYSA-N 0 0 445.476 1.988 50 0 IDAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)Cc1ccccc1 ZINC000008825032 556849046 /nfs/dbraw/zinc/84/90/46/556849046.db2.gz YCFBEJNYKATUOE-KRWDZBQOSA-N 0 0 446.525 1.911 50 0 IDAARN O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NC[C@@H]1CCCO1 ZINC000008862259 556851463 /nfs/dbraw/zinc/85/14/63/556851463.db2.gz OICNNECYDNFYIU-ZDUSSCGKSA-N 0 0 441.531 1.236 50 0 IDAARN COc1ccc(C(=O)N2CCN(C(=O)c3sc4[nH]cnc(=O)c4c3C)CC2)cc1OC ZINC000033073436 556852673 /nfs/dbraw/zinc/85/26/73/556852673.db2.gz FQUWOSFQNGGYCX-UHFFFAOYSA-N 0 0 442.497 1.908 50 0 IDAARN COCCNC(=O)CN1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000033078781 556854029 /nfs/dbraw/zinc/85/40/29/556854029.db2.gz JRZPPZQYGLPJSD-UHFFFAOYSA-N 0 0 446.529 1.583 50 0 IDAARN CC(C)NC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000033121562 556862817 /nfs/dbraw/zinc/86/28/17/556862817.db2.gz QXYYAOJSTWOAEB-UHFFFAOYSA-N 0 0 444.579 1.538 50 0 IDAARN Cc1ccc(N2CCN(C(=O)C3CCN(c4cc(=O)n(C)c(=O)n4C)CC3)CC2)c(C)c1 ZINC000033124341 556864481 /nfs/dbraw/zinc/86/44/81/556864481.db2.gz MPKOOZCKWWKZHM-UHFFFAOYSA-N 0 0 439.560 1.266 50 0 IDAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NCc2ccccc2)c1=O ZINC000033140983 556876774 /nfs/dbraw/zinc/87/67/74/556876774.db2.gz BOXWFJRMQCTNKB-UHFFFAOYSA-N 0 0 427.530 1.946 50 0 IDAARN CNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(F)cc4)c(=O)c3s2)C1 ZINC000033141130 556876988 /nfs/dbraw/zinc/87/69/88/556876988.db2.gz QQVAUTJVEBTFHY-LBPRGKRZSA-N 0 0 444.492 1.593 50 0 IDAARN O=C(Cn1cnc2nc(N3CCC[C@@H](C(=O)NC4CC4)C3)sc2c1=O)NC1CCCC1 ZINC000033141535 556878025 /nfs/dbraw/zinc/87/80/25/556878025.db2.gz PZFDMJYHJFGFCB-CYBMUJFWSA-N 0 0 444.561 1.407 50 0 IDAARN C[C@@H](Cc1ccco1)NC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000033170043 556885184 /nfs/dbraw/zinc/88/51/84/556885184.db2.gz SWDIMFTXMMEQCE-AWEZNQCLSA-N 0 0 446.485 1.712 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCNC(=O)c2cccc(C)c2)CC1 ZINC000010661072 556888131 /nfs/dbraw/zinc/88/81/31/556888131.db2.gz PKJQMMMOIKRZQS-UHFFFAOYSA-N 0 0 434.518 1.253 50 0 IDAARN O=C(CCCn1nnnc1CN1CCOCC1)N1CCC[C@H](C(=O)c2cccs2)C1 ZINC000019744530 556891021 /nfs/dbraw/zinc/89/10/21/556891021.db2.gz ASSSMZHQRQNYTO-INIZCTEOSA-N 0 0 432.550 1.469 50 0 IDAARN Cc1c(N2CCC(C(=O)NCc3ccccn3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258751 556896566 /nfs/dbraw/zinc/89/65/66/556896566.db2.gz BKWXWNFCZILKQQ-UHFFFAOYSA-N 0 0 433.512 1.772 50 0 IDAARN O=C(NCCN1CCOCC1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000033260412 556897072 /nfs/dbraw/zinc/89/70/72/556897072.db2.gz PXUFIXAOYXSWAZ-UHFFFAOYSA-N 0 0 435.532 1.456 50 0 IDAARN CN1CCN(c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ncn2)CC1 ZINC000072119204 556898355 /nfs/dbraw/zinc/89/83/55/556898355.db2.gz PPXZMVJAXYUNRB-UHFFFAOYSA-N 0 0 438.504 1.018 50 0 IDAARN CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ncn2)CC1 ZINC000072119366 556898378 /nfs/dbraw/zinc/89/83/78/556898378.db2.gz WKGVDPYUQIRULG-UHFFFAOYSA-N 0 0 436.969 1.393 50 0 IDAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)N1CCc2ccccc21 ZINC000033261918 556899814 /nfs/dbraw/zinc/89/98/14/556899814.db2.gz DEBMCZXPNZSALP-SFHVURJKSA-N 0 0 427.482 1.760 50 0 IDAARN COc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000033261983 556900082 /nfs/dbraw/zinc/90/00/82/556900082.db2.gz QVPDPDYTLLAYMK-INIZCTEOSA-N 0 0 431.470 1.818 50 0 IDAARN COCCNC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1 ZINC000033263503 556901716 /nfs/dbraw/zinc/90/17/16/556901716.db2.gz HQMXMUDNTYLJES-ZDUSSCGKSA-N 0 0 447.517 1.414 50 0 IDAARN CS(=O)(=O)N1CCc2cc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)ccc21 ZINC000019819385 556922594 /nfs/dbraw/zinc/92/25/94/556922594.db2.gz DHDACPZBVOPVEE-UHFFFAOYSA-N 0 0 449.510 1.047 50 0 IDAARN O=C(NCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860575 556932835 /nfs/dbraw/zinc/93/28/35/556932835.db2.gz HWLTWWFMBQRUEX-QGZVFWFLSA-N 0 0 429.970 1.330 50 0 IDAARN O=C(NCCCN1CCOCC1)NC(=O)C1CCN(c2cnc3ccccc3n2)CC1 ZINC000019880042 556936862 /nfs/dbraw/zinc/93/68/62/556936862.db2.gz SVPBWSYMIADECE-UHFFFAOYSA-N 0 0 426.521 1.394 50 0 IDAARN CCC(=O)c1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000019908988 556942897 /nfs/dbraw/zinc/94/28/97/556942897.db2.gz YFKOYNBRWMRWKM-LJQANCHMSA-N 0 0 439.578 1.367 50 0 IDAARN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000019909005 556942918 /nfs/dbraw/zinc/94/29/18/556942918.db2.gz SOEMDSGGDQGFCC-FQEVSTJZSA-N 0 0 447.557 1.700 50 0 IDAARN COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000019938171 556952164 /nfs/dbraw/zinc/95/21/64/556952164.db2.gz QOJILOSCEFPJID-UHFFFAOYSA-N 0 0 433.530 1.236 50 0 IDAARN OCCN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000019939990 556953677 /nfs/dbraw/zinc/95/36/77/556953677.db2.gz NTFIXEKMMYPNIY-UHFFFAOYSA-N 0 0 429.546 1.746 50 0 IDAARN O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000019961015 556955201 /nfs/dbraw/zinc/95/52/01/556955201.db2.gz LLPUDVDNJZMTPS-LBPRGKRZSA-N 0 0 448.277 1.434 50 0 IDAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000019961085 556955303 /nfs/dbraw/zinc/95/53/03/556955303.db2.gz WEGLFFPWERSCCK-GFCCVEGCSA-N 0 0 438.271 1.978 50 0 IDAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)Nc2nc(N3CCOCC3)[nH]c(=O)c21 ZINC000019961058 556955327 /nfs/dbraw/zinc/95/53/27/556955327.db2.gz SQPAGGSTYRCNLM-LBPRGKRZSA-N 0 0 437.378 1.690 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1 ZINC000072437524 556972735 /nfs/dbraw/zinc/97/27/35/556972735.db2.gz AIJGKEGDIWYPRZ-UHFFFAOYSA-N 0 0 430.534 1.546 50 0 IDAARN CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1 ZINC000020059886 556975823 /nfs/dbraw/zinc/97/58/23/556975823.db2.gz WORCQUCGSZZHTE-UHFFFAOYSA-N 0 0 438.532 1.333 50 0 IDAARN CC(C)NC(=O)CN1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1 ZINC000020109583 556984457 /nfs/dbraw/zinc/98/44/57/556984457.db2.gz YWHJBEFXIJPIAR-UHFFFAOYSA-N 0 0 432.594 1.664 50 0 IDAARN CCCS(=O)(=O)c1ncc(CN2CCN(C(=O)OCC)CC2)n1C[C@H]1CCCO1 ZINC000020109590 556984469 /nfs/dbraw/zinc/98/44/69/556984469.db2.gz CYGUCKGUEHMNDV-QGZVFWFLSA-N 0 0 428.555 1.520 50 0 IDAARN COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCCN2CCOCC2)c1 ZINC000020112381 556986604 /nfs/dbraw/zinc/98/66/04/556986604.db2.gz NNTPGKNNWWTCDH-QHCPKHFHSA-N 0 0 440.500 1.731 50 0 IDAARN Cn1c2nc(SCCN3CCOCC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000020130068 556987502 /nfs/dbraw/zinc/98/75/02/556987502.db2.gz GOLMDBWYEDQOLH-UHFFFAOYSA-N 0 0 449.964 1.560 50 0 biogenic IDAARN COCCn1c(CN(C)C[C@H]2COCCO2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000020135929 556988445 /nfs/dbraw/zinc/98/84/45/556988445.db2.gz MAVIKPYXLFUPEP-SFHVURJKSA-N 0 0 429.583 1.873 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(COC(=O)[C@H]2CCN2S(=O)(=O)c2ccccc2)c1 ZINC000097133802 556991399 /nfs/dbraw/zinc/99/13/99/556991399.db2.gz GBWHKKPARZDDJM-GOSISDBHSA-N 0 0 438.527 1.443 50 0 IDAARN Cc1cc(C)n2nc(CCCOC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]34)nc2n1 ZINC000097159658 556993216 /nfs/dbraw/zinc/99/32/16/556993216.db2.gz WARUIXUUULAOHA-RVKKMQEKSA-N 0 0 432.550 1.943 50 0 IDAARN CC[C@@H]1CCCCN1C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000023077385 556995924 /nfs/dbraw/zinc/99/59/24/556995924.db2.gz YHPDKGRUCNPTJT-QGZVFWFLSA-N 0 0 439.534 1.600 50 0 IDAARN Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc21 ZINC000023108487 557003507 /nfs/dbraw/zinc/00/35/07/557003507.db2.gz MJVBSLIDVLWYRB-UHFFFAOYSA-N 0 0 437.475 1.341 50 0 IDAARN CCOc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)cn(C)c2=O)cc1OCC ZINC000023109225 557004186 /nfs/dbraw/zinc/00/41/86/557004186.db2.gz UZHZWNWZWHNOIT-UHFFFAOYSA-N 0 0 429.473 1.907 50 0 IDAARN Cn1c2nc(N3CCCC3)n(C[C@@H](O)COc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000023115198 557005601 /nfs/dbraw/zinc/00/56/01/557005601.db2.gz QHJCEPABYDOSRB-CYBMUJFWSA-N 0 0 433.896 1.127 50 0 IDAARN COc1ccccc1C(=O)NCCNC(=O)c1nc(Cn2nc(C)c(Cl)c2C)no1 ZINC000020294519 557006210 /nfs/dbraw/zinc/00/62/10/557006210.db2.gz WKVGMQWZVKPZLS-UHFFFAOYSA-N 0 0 432.868 1.753 50 0 IDAARN CCCN(C(=O)COC(=O)Cc1csc(-c2ccccn2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000011252962 557009507 /nfs/dbraw/zinc/00/95/07/557009507.db2.gz SCBXEWQZLMOXPD-OAHLLOKOSA-N 0 0 437.543 1.717 50 0 IDAARN O=C(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)N1CCO[C@H](c2ccccc2)C1 ZINC000023127882 557012092 /nfs/dbraw/zinc/01/20/92/557012092.db2.gz QGWKJRBMXPJLLA-IBGZPJMESA-N 0 0 425.441 1.113 50 0 IDAARN COc1ccc(OC)c(NC(=O)C(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 ZINC000023127863 557012112 /nfs/dbraw/zinc/01/21/12/557012112.db2.gz UBMGFDDTXVHOMG-LJQANCHMSA-N 0 0 427.457 1.359 50 0 IDAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023135195 557017900 /nfs/dbraw/zinc/01/79/00/557017900.db2.gz KJMXNXSELGAPBB-UHFFFAOYSA-N 0 0 425.424 1.880 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000023135037 557017999 /nfs/dbraw/zinc/01/79/99/557017999.db2.gz LRMSQZVEMSVRNH-UHFFFAOYSA-N 0 0 444.517 1.186 50 0 IDAARN CS(=O)(=O)c1cccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)c1 ZINC000010692297 557018856 /nfs/dbraw/zinc/01/88/56/557018856.db2.gz QDEYHTZDKYGHEB-UHFFFAOYSA-N 0 0 435.483 1.742 50 0 IDAARN CC(=O)N1CCSc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000032943750 557021418 /nfs/dbraw/zinc/02/14/18/557021418.db2.gz QQLHSBHJSWIYKG-UHFFFAOYSA-N 0 0 435.527 1.885 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)Cc2cc(=O)[nH]c(SCc3ccccc3F)n2)CC1 ZINC000023138386 557021691 /nfs/dbraw/zinc/02/16/91/557021691.db2.gz XTPLCXMGMIPITN-UHFFFAOYSA-N 0 0 440.522 1.260 50 0 IDAARN CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)s1 ZINC000023141787 557022620 /nfs/dbraw/zinc/02/26/20/557022620.db2.gz ZBMQKCUNHBHIBX-UHFFFAOYSA-N 0 0 449.558 1.846 50 0 IDAARN NC(=O)[C@H]1CN(C(=O)c2cccn2-c2cccc(I)c2)CCO1 ZINC000072050469 557024980 /nfs/dbraw/zinc/02/49/80/557024980.db2.gz TUPIJWWRURGUMX-CQSZACIVSA-N 0 0 425.226 1.408 50 0 IDAARN COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1S(=O)(=O)N(C)C ZINC000010778201 557026178 /nfs/dbraw/zinc/02/61/78/557026178.db2.gz ZDAFMNKIVFKHJU-UHFFFAOYSA-N 0 0 445.541 1.980 50 0 IDAARN C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000010779719 557026184 /nfs/dbraw/zinc/02/61/84/557026184.db2.gz BOOBIPRAYRPKDB-JSGCOSHPSA-N 0 0 426.589 1.977 50 0 IDAARN CCCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032945130 557028325 /nfs/dbraw/zinc/02/83/25/557028325.db2.gz XLITZEKIKLDQGK-UHFFFAOYSA-N 0 0 440.518 1.318 50 0 IDAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)Nc1ccccc1 ZINC000017190633 557035801 /nfs/dbraw/zinc/03/58/01/557035801.db2.gz UWUYPSZQXAQZER-UHFFFAOYSA-N 0 0 434.481 1.966 50 0 IDAARN COc1ccc(CNS(=O)(=O)c2ccc3c(c2)N(Cc2noc(C)n2)C(=O)CO3)cc1 ZINC000046145508 557043738 /nfs/dbraw/zinc/04/37/38/557043738.db2.gz ZDCPIAVLZYMEGQ-UHFFFAOYSA-N 0 0 444.469 1.791 50 0 IDAARN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022922256 557047795 /nfs/dbraw/zinc/04/77/95/557047795.db2.gz VOSPIVDKBBNPDD-IBGZPJMESA-N 0 0 428.485 1.759 50 0 IDAARN NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc4c(c(Cl)c3)OCO4)CC2)o1 ZINC000048237631 557047994 /nfs/dbraw/zinc/04/79/94/557047994.db2.gz FBACZABGKHASHZ-UHFFFAOYSA-N 0 0 427.866 1.267 50 0 IDAARN C[C@H]1CC(=O)c2cnc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2C1 ZINC000022927901 557049045 /nfs/dbraw/zinc/04/90/45/557049045.db2.gz LCKBIOSBTNXEBZ-OAHLLOKOSA-N 0 0 437.500 1.727 50 0 IDAARN CSc1nnnn1-c1cccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)c1 ZINC000048262427 557049946 /nfs/dbraw/zinc/04/99/46/557049946.db2.gz OLGJHCOKXLXDFG-UHFFFAOYSA-N 0 0 426.506 1.938 50 0 IDAARN O=C(CN1CCN(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1)NC1CC1 ZINC000022932031 557050526 /nfs/dbraw/zinc/05/05/26/557050526.db2.gz OIZKMYGZATVVCZ-KRWDZBQOSA-N 0 0 441.601 1.899 50 0 IDAARN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000048265248 557050756 /nfs/dbraw/zinc/05/07/56/557050756.db2.gz BWRGYZWKFCNXOY-UHFFFAOYSA-N 0 0 429.868 1.486 50 0 IDAARN COC(=O)CCN1CCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 ZINC000048265059 557050912 /nfs/dbraw/zinc/05/09/12/557050912.db2.gz UCVKIFSQQMIRIA-UHFFFAOYSA-N 0 0 432.546 1.814 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccccc2CN2CCOCC2)C[C@H](C)O1 ZINC000048274249 557051511 /nfs/dbraw/zinc/05/15/11/557051511.db2.gz PSPOZBKXNOAIMB-CALCHBBNSA-N 0 0 440.566 1.079 50 0 IDAARN COc1ccc(NC(=O)Cn2c3c(cnn3-c3ccccc3)c(=O)n(C)c2=O)cc1OC ZINC000033273817 557052158 /nfs/dbraw/zinc/05/21/58/557052158.db2.gz JJHSWOWSEGDUSE-UHFFFAOYSA-N 0 0 435.440 1.542 50 0 IDAARN Cc1oc(C(=O)N2CCC[C@H](C(=O)NCC(C)C)C2)cc1S(=O)(=O)N1CCCC1 ZINC000048253016 557052168 /nfs/dbraw/zinc/05/21/68/557052168.db2.gz UFZWTPAKMLPCAI-INIZCTEOSA-N 0 0 425.551 1.997 50 0 IDAARN Cc1oc(C(=O)N2CCC[C@@H](C(=O)NCC(C)C)C2)cc1S(=O)(=O)N1CCCC1 ZINC000048253018 557052195 /nfs/dbraw/zinc/05/21/95/557052195.db2.gz UFZWTPAKMLPCAI-MRXNPFEDSA-N 0 0 425.551 1.997 50 0 IDAARN O=C(NCc1cccc(OCc2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000048288253 557053648 /nfs/dbraw/zinc/05/36/48/557053648.db2.gz GHFARSPWAHQPRP-VQTJNVASSA-N 0 0 442.537 1.917 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)c1 ZINC000033275416 557054555 /nfs/dbraw/zinc/05/45/55/557054555.db2.gz XMOJJFTTZLJESE-UHFFFAOYSA-N 0 0 448.545 1.616 50 0 IDAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC(=O)N[C@H]3CCS(=O)(=O)C3)c12 ZINC000048290532 557055019 /nfs/dbraw/zinc/05/50/19/557055019.db2.gz LSLASLVINATLLT-AWEZNQCLSA-N 0 0 428.470 1.231 50 0 IDAARN COc1ccc([C@@H](CNC(=O)Cn2cc(C(N)=O)c3ccccc32)N2CCOCC2)cc1 ZINC000048290327 557055067 /nfs/dbraw/zinc/05/50/67/557055067.db2.gz ZTMKFITUTAKGFQ-JOCHJYFZSA-N 0 0 436.512 1.939 50 0 IDAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cccc(CN2CCOCC2)c1 ZINC000048290783 557055241 /nfs/dbraw/zinc/05/52/41/557055241.db2.gz JWCRVBGAOOYTBJ-UHFFFAOYSA-N 0 0 441.532 1.318 50 0 IDAARN Cc1noc2nc(-c3cccs3)cc(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c12 ZINC000048290755 557055283 /nfs/dbraw/zinc/05/52/83/557055283.db2.gz DLHCVUGRSCWIRP-LLVKDONJSA-N 0 0 434.499 1.293 50 0 IDAARN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000048274362 557055793 /nfs/dbraw/zinc/05/57/93/557055793.db2.gz MQEWDWDYUZCUCV-QGZVFWFLSA-N 0 0 426.518 1.081 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3nc(-c4ccco4)no3)CC2)cc1 ZINC000022990405 557056063 /nfs/dbraw/zinc/05/60/63/557056063.db2.gz FHPWLWCZUSUZLK-UHFFFAOYSA-N 0 0 446.485 1.804 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000048275428 557056025 /nfs/dbraw/zinc/05/60/25/557056025.db2.gz LMBFSRNAEPWRPU-QGZVFWFLSA-N 0 0 447.532 1.832 50 0 IDAARN CC(C)S(=O)(=O)c1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)c(=O)n2C ZINC000033276915 557057373 /nfs/dbraw/zinc/05/73/73/557057373.db2.gz DMDCRGNXLQIZJZ-UHFFFAOYSA-N 0 0 433.461 1.811 50 0 IDAARN CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)cc2S1(=O)=O ZINC000048303423 557058693 /nfs/dbraw/zinc/05/86/93/557058693.db2.gz LOLYFJZHMKMYBH-MRXNPFEDSA-N 0 0 433.530 1.618 50 0 IDAARN COc1ccc([C@H](CN2CCOCC2)NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 ZINC000048303408 557058878 /nfs/dbraw/zinc/05/88/78/557058878.db2.gz QKFSNASDBWWRHD-QFIPXVFZSA-N 0 0 436.512 1.903 50 0 IDAARN COc1ccc(NC(=O)Cn2cnc3nc(N4CCOCC4)ncc3c2=O)cc1Cl ZINC000033277296 557058891 /nfs/dbraw/zinc/05/88/91/557058891.db2.gz CNVZQISSPLDMNC-UHFFFAOYSA-N 0 0 430.852 1.324 50 0 IDAARN Cc1sc(S(=O)(=O)N2CCSCC2)cc1NC(=O)CNC(=O)c1ccco1 ZINC000033278822 557060675 /nfs/dbraw/zinc/06/06/75/557060675.db2.gz DSSIYTSFYCPQHT-UHFFFAOYSA-N 0 0 429.545 1.756 50 0 IDAARN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000048311100 557060901 /nfs/dbraw/zinc/06/09/01/557060901.db2.gz JRJVVQPSPDEORS-QGZVFWFLSA-N 0 0 443.483 1.275 50 0 IDAARN CC(=O)NCC1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000048302402 557063737 /nfs/dbraw/zinc/06/37/37/557063737.db2.gz OIYJKMYIZBAZKP-HZPDHXFCSA-N 0 0 437.562 1.473 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(-c2ccccc2)n1 ZINC000023118831 557064540 /nfs/dbraw/zinc/06/45/40/557064540.db2.gz DSCAZVMCHFYMAN-UHFFFAOYSA-N 0 0 443.485 1.549 50 0 IDAARN O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048325024 557065940 /nfs/dbraw/zinc/06/59/40/557065940.db2.gz FHVPEYUWDFQNNG-UHFFFAOYSA-N 0 0 426.516 1.409 50 0 IDAARN C[C@H]1CN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CCN1C ZINC000023129567 557066200 /nfs/dbraw/zinc/06/62/00/557066200.db2.gz DLOLNVACXGYWQT-XDHUDOTRSA-N 0 0 438.503 1.970 50 0 IDAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)Cn3cncn3)ccc2C)c1 ZINC000048326087 557066644 /nfs/dbraw/zinc/06/66/44/557066644.db2.gz HHVTYJJWZHTDOS-UHFFFAOYSA-N 0 0 442.501 1.451 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 ZINC000023130654 557066801 /nfs/dbraw/zinc/06/68/01/557066801.db2.gz ZGPMTJUYBXDIGP-HNNXBMFYSA-N 0 0 445.497 1.171 50 0 IDAARN NC(=O)c1ccc(OCC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000048312479 557066986 /nfs/dbraw/zinc/06/69/86/557066986.db2.gz AYKYTLLPUHNESV-UHFFFAOYSA-N 0 0 427.486 1.620 50 0 IDAARN C[C@H](NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048312326 557066990 /nfs/dbraw/zinc/06/69/90/557066990.db2.gz YDUUGYSJRKTOHL-ZDUSSCGKSA-N 0 0 432.477 1.663 50 0 IDAARN Cc1ccc(-n2ccnc2SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1C ZINC000023138115 557067153 /nfs/dbraw/zinc/06/71/53/557067153.db2.gz QWYAMYJSTRBRIE-LJQANCHMSA-N 0 0 448.614 1.913 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(CC(=O)Nc2ccc(F)cc2F)c1=O ZINC000010883607 557068003 /nfs/dbraw/zinc/06/80/03/557068003.db2.gz DCOSGTHNCMOOTE-UHFFFAOYSA-N 0 0 435.431 1.641 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048333392 557068203 /nfs/dbraw/zinc/06/82/03/557068203.db2.gz GTLMSCPVVMZUAD-SFHVURJKSA-N 0 0 434.562 1.423 50 0 IDAARN O=C(NCc1cccnc1)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000033292355 557068886 /nfs/dbraw/zinc/06/88/86/557068886.db2.gz DDWDVHLQMRLRMG-UHFFFAOYSA-N 0 0 429.458 1.083 50 0 IDAARN NC(=O)Cn1c(C2CC2)nnc1S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000048343872 557071590 /nfs/dbraw/zinc/07/15/90/557071590.db2.gz GYYQLHNXAUAKHT-UHFFFAOYSA-N 0 0 443.279 1.106 50 0 IDAARN Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NCCCN4CCOCC4)n3)n2)cc1 ZINC000033292420 557075619 /nfs/dbraw/zinc/07/56/19/557075619.db2.gz NQBLLQCDITXESB-UHFFFAOYSA-N 0 0 438.488 1.102 50 0 IDAARN COc1cccc(CN2CCN(CC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)CC2)c1 ZINC000023251029 557078615 /nfs/dbraw/zinc/07/86/15/557078615.db2.gz BYMSGLYNOREDBU-UHFFFAOYSA-N 0 0 431.562 1.918 50 0 IDAARN CN(CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1)S(C)(=O)=O ZINC000048984822 557081672 /nfs/dbraw/zinc/08/16/72/557081672.db2.gz OBDGWPOIWMNEPS-UHFFFAOYSA-N 0 0 433.512 1.238 50 0 IDAARN COc1ccccc1NC(=O)CSc1nnc(NC(=O)CN(C)S(C)(=O)=O)s1 ZINC000048984827 557081718 /nfs/dbraw/zinc/08/17/18/557081718.db2.gz OZVJCWPNXBVANJ-UHFFFAOYSA-N 0 0 445.548 1.107 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000049027070 557088306 /nfs/dbraw/zinc/08/83/06/557088306.db2.gz QQPILXZUKFGLAO-UHFFFAOYSA-N 0 0 437.543 1.271 50 0 IDAARN C[C@@H](Sc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000023368602 557088489 /nfs/dbraw/zinc/08/84/89/557088489.db2.gz DLWFUDSPOOLQSI-OCCSQVGLSA-N 0 0 447.517 1.723 50 0 IDAARN Cc1ccc(CNC(=O)Cn2cc(C(=O)N3CCOCC3)c(=O)c3ccc(C)nc32)cc1 ZINC000049002290 557089840 /nfs/dbraw/zinc/08/98/40/557089840.db2.gz LWJODKIVHSKBGV-UHFFFAOYSA-N 0 0 434.496 1.802 50 0 IDAARN COc1cc(NC(=O)Cn2nc3c4sc(N(C)C)nc4ncn3c2=O)cc(OC)c1 ZINC000033309199 557090653 /nfs/dbraw/zinc/09/06/53/557090653.db2.gz WMGWESDMODMHGS-UHFFFAOYSA-N 0 0 429.462 1.223 50 0 IDAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000023408988 557090937 /nfs/dbraw/zinc/09/09/37/557090937.db2.gz RRKHKJAJBZRGCU-LJQANCHMSA-N 0 0 426.448 1.431 50 0 IDAARN O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000017477805 557094380 /nfs/dbraw/zinc/09/43/80/557094380.db2.gz VGKNWIBZROQDHO-UHFFFAOYSA-N 0 0 428.470 1.056 50 0 IDAARN COc1ccccc1N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000023486906 557094977 /nfs/dbraw/zinc/09/49/77/557094977.db2.gz LSMYKPQCWQHHHM-UHFFFAOYSA-N 0 0 431.562 1.353 50 0 IDAARN O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NCc1ccc(C(F)(F)F)cc1 ZINC000049400034 557095700 /nfs/dbraw/zinc/09/57/00/557095700.db2.gz OPMRXZFCSLKKJA-UHFFFAOYSA-N 0 0 436.394 1.063 50 0 IDAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000023624041 557101478 /nfs/dbraw/zinc/10/14/78/557101478.db2.gz PEGSJLZIVILYCL-UHFFFAOYSA-N 0 0 444.513 1.933 50 0 IDAARN CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(CO)cc2)ccc1Cl ZINC000023646484 557102856 /nfs/dbraw/zinc/10/28/56/557102856.db2.gz BQKKOQNUVZOKJP-UHFFFAOYSA-N 0 0 426.878 1.878 50 0 IDAARN O=c1n(Cc2cc(F)cc(F)c2)nc2ccc(S(=O)(=O)N3CCSCC3)cn21 ZINC000049408170 557103140 /nfs/dbraw/zinc/10/31/40/557103140.db2.gz RNOPDGPAWULCJT-UHFFFAOYSA-N 0 0 426.470 1.560 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O ZINC000049409243 557104346 /nfs/dbraw/zinc/10/43/46/557104346.db2.gz ROHCWTGODYDEEI-UHFFFAOYSA-N 0 0 447.513 1.838 50 0 IDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000023673745 557105015 /nfs/dbraw/zinc/10/50/15/557105015.db2.gz NRMPZIIPXZNTFS-UHFFFAOYSA-N 0 0 448.907 1.396 50 0 IDAARN COc1cccc(N2CCN(C(=O)c3snc4c3[nH]c(=O)n(CC(C)C)c4=O)CC2)c1 ZINC000049409887 557105245 /nfs/dbraw/zinc/10/52/45/557105245.db2.gz ORCJLCQXTFZGDV-UHFFFAOYSA-N 0 0 443.529 1.773 50 0 IDAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3cccc(OC)c3)CC2)c1=O ZINC000049409852 557105316 /nfs/dbraw/zinc/10/53/16/557105316.db2.gz MSJKJMJDGCLDEO-UHFFFAOYSA-N 0 0 443.529 1.917 50 0 IDAARN Nn1c(SCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1Cl ZINC000017653534 557105338 /nfs/dbraw/zinc/10/53/38/557105338.db2.gz FNURHPFKJICQHP-GFCCVEGCSA-N 0 0 441.966 1.583 50 0 IDAARN CCCS(=O)(=O)N1CCC(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)CC1 ZINC000049462027 557109579 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CCCc1cc(=O)[nH]c(SCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)n1 ZINC000011438142 557147738 /nfs/dbraw/zinc/14/77/38/557147738.db2.gz NIQQWMQVDPKYHT-HXUWFJFHSA-N 0 0 445.501 1.734 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)OC(=O)C2=COCCO2)ccc1C ZINC000011444865 557148363 /nfs/dbraw/zinc/14/83/63/557148363.db2.gz OVYNHUCFUBVMIB-AWEZNQCLSA-N 0 0 426.491 1.784 50 0 IDAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCc1ccc(CN2CCOCC2)cc1 ZINC000024572545 557151515 /nfs/dbraw/zinc/15/15/15/557151515.db2.gz FHCNATDTHJVBMO-UHFFFAOYSA-N 0 0 436.556 1.593 50 0 IDAARN CN(C)c1nc(N)nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000024574340 557151547 /nfs/dbraw/zinc/15/15/47/557151547.db2.gz PETHTGNLHINROE-UHFFFAOYSA-N 0 0 446.364 1.333 50 0 IDAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000024605574 557152809 /nfs/dbraw/zinc/15/28/09/557152809.db2.gz LKEPRAGYBPAQKD-NRFANRHFSA-N 0 0 442.541 1.581 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCC[C@@H](O)C(F)(F)F ZINC000072290288 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O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCN(c2cnccn2)CC1 ZINC000025343526 557205336 /nfs/dbraw/zinc/20/53/36/557205336.db2.gz SJSMPPZANIOYQJ-UHFFFAOYSA-N 0 0 443.305 1.688 50 0 IDAARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O ZINC000011591227 557206553 /nfs/dbraw/zinc/20/65/53/557206553.db2.gz BLPGBNKAKCRQNU-HXUWFJFHSA-N 0 0 427.438 1.061 50 0 IDAARN CN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000072241359 557206554 /nfs/dbraw/zinc/20/65/54/557206554.db2.gz NYUVNWMAWSUDGE-OALUTQOASA-N 0 0 431.876 1.816 50 0 IDAARN CC(=O)N1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 ZINC000011613363 557209174 /nfs/dbraw/zinc/20/91/74/557209174.db2.gz OJSXTTVSCLIOKA-INIZCTEOSA-N 0 0 438.513 1.310 50 0 IDAARN CCNc1nc(-n2cnc(SCCOc3ccccc3)n2)nc(N2CCOCC2)n1 ZINC000025496268 557212156 /nfs/dbraw/zinc/21/21/56/557212156.db2.gz KTVSBHXJFOAQGR-UHFFFAOYSA-N 0 0 428.522 1.892 50 0 IDAARN CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000025664880 557220546 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IDAARN Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000011404585 557229166 /nfs/dbraw/zinc/22/91/66/557229166.db2.gz HSNSZBUDZIWYGB-UHFFFAOYSA-N 0 0 446.525 1.532 50 0 IDAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000025984872 557231647 /nfs/dbraw/zinc/23/16/47/557231647.db2.gz NQYCJEFLTDMPEW-KUHUBIRLSA-N 0 0 429.498 1.706 50 0 IDAARN CCOC(=O)C(NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)C(=O)OCC ZINC000025993033 557231930 /nfs/dbraw/zinc/23/19/30/557231930.db2.gz DZAYWSDBDRUWAO-NSHDSACASA-N 0 0 441.278 1.413 50 0 IDAARN CCn1nnc2cc(C(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)ccc21 ZINC000026058652 557233290 /nfs/dbraw/zinc/23/32/90/557233290.db2.gz QSKCGWHWLAMXIK-UHFFFAOYSA-N 0 0 429.502 1.402 50 0 IDAARN Cc1cc(C)n(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000098211130 557234590 /nfs/dbraw/zinc/23/45/90/557234590.db2.gz MFNNXJUWOBRXCF-UHFFFAOYSA-N 0 0 446.508 1.572 50 0 IDAARN Cc1cccc(CN2CCn3c(=O)n(CC(=O)N[C@@H]4CCc5ccccc54)nc3C2=O)c1 ZINC000098213160 557236282 /nfs/dbraw/zinc/23/62/82/557236282.db2.gz JYTSZBVCSYDQDP-HXUWFJFHSA-N 0 0 431.496 1.813 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)Nc1ccc(F)c(F)c1 ZINC000098213099 557236302 /nfs/dbraw/zinc/23/63/02/557236302.db2.gz IMAXDNATMDMUSA-UHFFFAOYSA-N 0 0 431.374 1.757 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)c1 ZINC000098213207 557236565 /nfs/dbraw/zinc/23/65/65/557236565.db2.gz ZRIUNQVXRKDRQB-UHFFFAOYSA-N 0 0 439.447 1.165 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)Nc1ccc(F)cc1F ZINC000098213202 557236573 /nfs/dbraw/zinc/23/65/73/557236573.db2.gz WJCRONMAZSZHEF-UHFFFAOYSA-N 0 0 431.374 1.757 50 0 IDAARN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccc2c(c1)OCCO2 ZINC000018109948 557237654 /nfs/dbraw/zinc/23/76/54/557237654.db2.gz GWUAYTPOLSNJIT-AWEZNQCLSA-N 0 0 435.502 1.308 50 0 IDAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4cccc(NS(C)(=O)=O)c4)C3)ncn2)n1 ZINC000390827619 557238414 /nfs/dbraw/zinc/23/84/14/557238414.db2.gz ZUYZDNAAHOVECH-UHFFFAOYSA-N 0 0 441.517 1.726 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1OC ZINC000018130150 557241840 /nfs/dbraw/zinc/24/18/40/557241840.db2.gz SVSSAKXFAJOESX-UHFFFAOYSA-N 0 0 433.530 1.917 50 0 IDAARN C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000026522473 557242885 /nfs/dbraw/zinc/24/28/85/557242885.db2.gz PUKXSSUZOZJERL-DFLMZXFUSA-N 0 0 433.574 1.714 50 0 IDAARN Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)on1 ZINC000011010554 557243580 /nfs/dbraw/zinc/24/35/80/557243580.db2.gz OLFAYTLYDBUCAC-KBPBESRZSA-N 0 0 446.485 1.714 50 0 IDAARN COc1cccc(N2C(=O)C[C@@H](N(O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3=O)C2=O)c1 ZINC000018153066 557243801 /nfs/dbraw/zinc/24/38/01/557243801.db2.gz WMUSFXPHCBVQSB-HDICACEKSA-N 0 0 439.424 1.359 50 0 IDAARN NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000026535011 557243846 /nfs/dbraw/zinc/24/38/46/557243846.db2.gz PTTVZNVUVQCLRK-UHFFFAOYSA-N 0 0 429.542 1.964 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000026539170 557244198 /nfs/dbraw/zinc/24/41/98/557244198.db2.gz ZJIFYXMEJPEXIJ-UHFFFAOYSA-N 0 0 431.514 1.624 50 0 IDAARN CCOC(=O)c1nn(CCC(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000018167272 557245301 /nfs/dbraw/zinc/24/53/01/557245301.db2.gz XSIBGWBWCQDLDE-UKRRQHHQSA-N 0 0 436.262 1.521 50 0 IDAARN CCOc1cc2c(cc1NC(=O)C1=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC1)O[C@@H](C)C2 ZINC000026886457 557250120 /nfs/dbraw/zinc/25/01/20/557250120.db2.gz HVHWGNUDSKTAPT-JSGCOSHPSA-N 0 0 435.502 1.513 50 0 IDAARN CCOC(=O)C1=C(CN2CCC[C@H]2C(=O)NCc2ccco2)NC(=O)N[C@@H]1c1ccco1 ZINC000027143543 557257912 /nfs/dbraw/zinc/25/79/12/557257912.db2.gz KKZZSMQOEQDIOB-QFBILLFUSA-N 0 0 442.472 1.825 50 0 IDAARN O=C1C[C@@H](N2CCN([C@H]3CC(=O)N(c4ccccc4)C3=O)CC2)C(=O)N1c1ccccc1 ZINC000100393908 557259637 /nfs/dbraw/zinc/25/96/37/557259637.db2.gz JMZMOIGUGYEDAE-BGYRXZFFSA-N 0 0 432.480 1.268 50 0 IDAARN CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(C)cc1C ZINC000101170395 557259972 /nfs/dbraw/zinc/25/99/72/557259972.db2.gz SNSYWTDXYZISJL-ZCNNSNEGSA-N 0 0 437.445 1.600 50 0 IDAARN COC(=O)Cn1c2ccc(OC)cc2sc1=NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000101142322 557261958 /nfs/dbraw/zinc/26/19/58/557261958.db2.gz FCOMBAZDPIVLJS-QZQOTICOSA-N 0 0 448.522 1.927 50 0 IDAARN CCOC(=O)c1sc(NC(=O)CN2CCCN(C(C)=O)CC2)c(C(=O)OCC)c1C ZINC000027564561 557265729 /nfs/dbraw/zinc/26/57/29/557265729.db2.gz PBLXOGFAFPYJCA-UHFFFAOYSA-N 0 0 439.534 1.903 50 0 IDAARN O=C(NCCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000027689237 557271717 /nfs/dbraw/zinc/27/17/17/557271717.db2.gz JHIRGTHWBQBOBE-UHFFFAOYSA-N 0 0 429.970 1.967 50 0 IDAARN COC(=O)Cn1c2ccc(Cl)cc2s/c1=N\C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000101345252 557279504 /nfs/dbraw/zinc/27/95/04/557279504.db2.gz BYRPHMNUKDOQNL-ATDDHBJVSA-N 0 0 445.950 1.628 50 0 IDAARN CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NCc2c(C)nn(C)c2C)C1=O ZINC000101446135 557285678 /nfs/dbraw/zinc/28/56/78/557285678.db2.gz DNHOANIOHBHLHQ-MRXNPFEDSA-N 0 0 448.321 1.640 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1C ZINC000101502594 557289803 /nfs/dbraw/zinc/28/98/03/557289803.db2.gz CNYKHWJPPNKXSN-NRFANRHFSA-N 0 0 441.553 1.937 50 0 IDAARN COc1cccc(CNC(=O)c2ccc(CNc3c(=O)c(=O)c3N3CCOCC3)cc2)c1 ZINC000101597248 557291387 /nfs/dbraw/zinc/29/13/87/557291387.db2.gz RTJSDDJWBYVJBS-UHFFFAOYSA-N 0 0 435.480 1.670 50 0 biogenic IDAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000102078173 557312659 /nfs/dbraw/zinc/31/26/59/557312659.db2.gz SNXXAJLSMFIACH-LBPRGKRZSA-N 0 0 442.468 1.621 50 0 IDAARN Cn1c2[nH]c(=S)n(Cc3cccc(I)c3)c2c(=O)n(C)c1=O ZINC000103124884 557313162 /nfs/dbraw/zinc/31/31/62/557313162.db2.gz QFFZJIYRRMQMID-UHFFFAOYSA-N 0 0 428.255 1.375 50 0 IDAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCOCC1 ZINC000014184340 557313887 /nfs/dbraw/zinc/31/38/87/557313887.db2.gz GIDSFOZBXIDSPC-OAHLLOKOSA-N 0 0 426.535 1.443 50 0 IDAARN CCOc1ncccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000032787251 557316130 /nfs/dbraw/zinc/31/61/30/557316130.db2.gz QXJBIUKOFVFZNE-CQSZACIVSA-N 0 0 435.502 1.625 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N1CC=C(c2ccccc2)CC1 ZINC000014198305 557317969 /nfs/dbraw/zinc/31/79/69/557317969.db2.gz ITOQDRYOCPZKBC-UHFFFAOYSA-N 0 0 427.526 1.949 50 0 IDAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)N3CCOCC3)cc1)c2=O ZINC000032959277 557319159 /nfs/dbraw/zinc/31/91/59/557319159.db2.gz WRCJPEXGLPPOMG-UHFFFAOYSA-N 0 0 425.466 1.933 50 0 IDAARN CCCCN(C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000102343692 557319450 /nfs/dbraw/zinc/31/94/50/557319450.db2.gz CRQBEVVAPBSRIF-GJZGRUSLSA-N 0 0 447.536 1.227 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102380510 557319884 /nfs/dbraw/zinc/31/98/84/557319884.db2.gz VVZPDHXCGZFYIF-ROUUACIJSA-N 0 0 433.530 1.997 50 0 IDAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)C2)o1 ZINC000033021322 557321230 /nfs/dbraw/zinc/32/12/30/557321230.db2.gz CFYSXEYPJIZFIL-CQSZACIVSA-N 0 0 433.486 1.636 50 0 IDAARN CCCCn1c(N)c(N(C)C(=O)c2cccc(I)c2)c(=O)[nH]c1=O ZINC000014227155 557323537 /nfs/dbraw/zinc/32/35/37/557323537.db2.gz RBTCRKRSTFLZIP-UHFFFAOYSA-N 0 0 442.257 1.800 50 0 IDAARN CC(C)NC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCC4)c(=O)c3s2)C1 ZINC000033141446 557325788 /nfs/dbraw/zinc/32/57/88/557325788.db2.gz MSLUKDQSAZXLFV-AWEZNQCLSA-N 0 0 446.577 1.653 50 0 IDAARN O=C(CSc1nnnn1-c1ccc(O)cc1)NCC1(N2CCOCC2)CCCCC1 ZINC000014239127 557328031 /nfs/dbraw/zinc/32/80/31/557328031.db2.gz DSKXVDIXXXGXNB-UHFFFAOYSA-N 0 0 432.550 1.611 50 0 IDAARN O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000222043799 557332902 /nfs/dbraw/zinc/33/29/02/557332902.db2.gz UZNMOIMHOJGXHS-NJAFHUGGSA-N 0 0 436.530 1.638 50 0 IDAARN CCOc1cccc(N2C(=O)C[C@H](N3CCN(CC(=O)Nc4ccccc4)CC3)C2=O)c1 ZINC000100144186 557334270 /nfs/dbraw/zinc/33/42/70/557334270.db2.gz AGCFZWHIQVSMRC-NRFANRHFSA-N 0 0 436.512 1.974 50 0 IDAARN COC(=O)C1=C(C)NC(=O)[C@]1(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(F)(F)F ZINC000100151716 557337534 /nfs/dbraw/zinc/33/75/34/557337534.db2.gz JIOCDSRYXPKRKA-KRWDZBQOSA-N 0 0 432.351 1.320 50 0 IDAARN CC(C)N(C(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C ZINC000033413419 557339337 /nfs/dbraw/zinc/33/93/37/557339337.db2.gz SGQRMWHRTQRVOF-YFHOEESVSA-N 0 0 438.546 1.909 50 0 IDAARN Cc1nn(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)c(=O)c2ccccc12 ZINC000102580389 557355364 /nfs/dbraw/zinc/35/53/64/557355364.db2.gz IAPDODUTFUDELB-UHFFFAOYSA-N 0 0 442.479 1.684 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000102667413 557362563 /nfs/dbraw/zinc/36/25/63/557362563.db2.gz NJPNUCMJQFVLFA-RTBURBONSA-N 0 0 445.541 1.297 50 0 IDAARN Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](Cn3cccn3)C(C)(C)C)C2)cnn1C ZINC000102642913 557363424 /nfs/dbraw/zinc/36/34/24/557363424.db2.gz DKSOAKDEESCACL-FUHWJXTLSA-N 0 0 436.582 1.557 50 0 IDAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COC[C@H]3CCCO3)CC2)cc1 ZINC000023674088 557371180 /nfs/dbraw/zinc/37/11/80/557371180.db2.gz XLVFQSOAABSZII-VQTJNVASSA-N 0 0 426.579 1.673 50 0 IDAARN COc1ccccc1CNC(=O)C[C@H]1C(=O)Nc2c1c(=O)n(C)c(=O)n2Cc1ccccc1 ZINC000102813305 557393210 /nfs/dbraw/zinc/39/32/10/557393210.db2.gz XPYVNWLVGDHPKE-QGZVFWFLSA-N 0 0 448.479 1.346 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CCCn2nc(-c3ccco3)ccc2=O)cc1 ZINC000011695862 557393844 /nfs/dbraw/zinc/39/38/44/557393844.db2.gz PSWQDUUGCFYXRW-UHFFFAOYSA-N 0 0 430.486 1.290 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000102847085 557394504 /nfs/dbraw/zinc/39/45/04/557394504.db2.gz JOQRVAJXADVMSN-HDICACEKSA-N 0 0 433.530 1.975 50 0 IDAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102842524 557394525 /nfs/dbraw/zinc/39/45/25/557394525.db2.gz WDFWARVILOCNKT-ROUUACIJSA-N 0 0 433.530 1.995 50 0 IDAARN O=S(=O)(NCCNc1ccc(Nc2ccccn2)nn1)c1ccc2c(c1)OCCO2 ZINC000011697453 557394689 /nfs/dbraw/zinc/39/46/89/557394689.db2.gz VDBRSHCSWDHMPQ-UHFFFAOYSA-N 0 0 428.474 1.777 50 0 IDAARN CCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)s1 ZINC000013956064 557398041 /nfs/dbraw/zinc/39/80/41/557398041.db2.gz ORJWCFSKKHGOFH-UHFFFAOYSA-N 0 0 447.546 1.898 50 0 IDAARN COc1cccc(N2CCN(C(=O)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)c1 ZINC000072405941 557398913 /nfs/dbraw/zinc/39/89/13/557398913.db2.gz KCXJUSNZXIILDP-GOSISDBHSA-N 0 0 432.546 1.831 50 0 IDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c(=O)[nH]c1=O ZINC000033462981 557400442 /nfs/dbraw/zinc/40/04/42/557400442.db2.gz NIJYQVTYLTYGFM-UHFFFAOYSA-N 0 0 430.411 1.890 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000033544011 557410278 /nfs/dbraw/zinc/41/02/78/557410278.db2.gz WLPGKGMUPYCTLI-KNGSKEOJSA-N 0 0 438.527 1.767 50 0 IDAARN COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1S(=O)(=O)N(C)C ZINC000103413020 557436410 /nfs/dbraw/zinc/43/64/10/557436410.db2.gz GGAVSKMLBBVNMF-AEGPPILISA-N 0 0 435.502 1.224 50 0 IDAARN COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000103681576 557440043 /nfs/dbraw/zinc/44/00/43/557440043.db2.gz LLDYTUDIHGQVJW-YESZJQIVSA-N 0 0 439.559 1.065 50 0 IDAARN C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000014675872 557449234 /nfs/dbraw/zinc/44/92/34/557449234.db2.gz LHFLFMOKNBVBDT-SFHVURJKSA-N 0 0 449.507 1.949 50 0 IDAARN COc1ccc(C(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Br ZINC000014807666 557458142 /nfs/dbraw/zinc/45/81/42/557458142.db2.gz JRRWUCAHCRZPHW-UHFFFAOYSA-N 0 0 434.308 1.855 50 0 IDAARN CCn1c(=O)c2ccccc2n([C@H](C(=O)NCCN2CCOCC2)c2ccccc2)c1=O ZINC000103467378 557459355 /nfs/dbraw/zinc/45/93/55/557459355.db2.gz DLBKXUSDWYAXRR-NRFANRHFSA-N 0 0 436.512 1.221 50 0 IDAARN CC(=O)N1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2C(N)=O)C1 ZINC000012378146 557483734 /nfs/dbraw/zinc/48/37/34/557483734.db2.gz 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0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000008601674 562955559 /nfs/dbraw/zinc/95/55/59/562955559.db2.gz ITXATTHQLNZIKR-OAHLLOKOSA-N 0 0 445.497 1.243 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000008601855 562955663 /nfs/dbraw/zinc/95/56/63/562955663.db2.gz OOHNACQUNJXTPM-UHFFFAOYSA-N 0 0 442.497 1.848 50 0 IDAARN COCCNC(=O)c1ccc(Cn2c(SCC(N)=O)nc3ccccc3c2=O)cc1 ZINC000008610154 562958099 /nfs/dbraw/zinc/95/80/99/562958099.db2.gz OHJGYRHGMJFBOZ-UHFFFAOYSA-N 0 0 426.498 1.398 50 0 IDAARN O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1 ZINC000008611495 562958609 /nfs/dbraw/zinc/95/86/09/562958609.db2.gz FSCMZNAQWXOIND-UHFFFAOYSA-N 0 0 433.461 1.835 50 0 IDAARN COc1ccc(CNC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)cc1 ZINC000008611469 562958642 /nfs/dbraw/zinc/95/86/42/562958642.db2.gz GIDGFAOBLREKHH-UHFFFAOYSA-N 0 0 445.497 1.704 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1OC ZINC000008613155 562959404 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COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)c2N)c1 ZINC000009226949 562968253 /nfs/dbraw/zinc/96/82/53/562968253.db2.gz DVGZNLGTZUJESN-UHFFFAOYSA-N 0 0 440.416 1.497 50 0 IDAARN Cc1nnc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)s1 ZINC000009263915 562968546 /nfs/dbraw/zinc/96/85/46/562968546.db2.gz QICIPULLMYHCCW-UHFFFAOYSA-N 0 0 435.510 1.817 50 0 IDAARN COc1ccc(/C=C2\SC(=O)N(CCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000009429838 562970594 /nfs/dbraw/zinc/97/05/94/562970594.db2.gz HISNUMGDGYSLQC-HNDQUVLASA-N 0 0 438.527 1.767 50 0 IDAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)NC[C@@H]1CCCO1 ZINC000009441340 562971192 /nfs/dbraw/zinc/97/11/92/562971192.db2.gz HZXUSKDOXPOMIW-HNNXBMFYSA-N 0 0 444.937 1.967 50 0 IDAARN COc1ccc(NC(=O)CSc2nnc(C)n2N)cc1S(=O)(=O)N1CCCCC1 ZINC000009466698 562971707 /nfs/dbraw/zinc/97/17/07/562971707.db2.gz RYEPGOPRDIMABM-UHFFFAOYSA-N 0 0 440.551 1.214 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cc1 ZINC000009469593 562971803 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CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2nnc3ccccc32)cc1 ZINC000003243058 568743563 /nfs/dbraw/zinc/74/35/63/568743563.db2.gz FNFLQLWUMOQXMU-UHFFFAOYSA-N 0 0 445.501 1.644 50 0 IDAARN Cc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1S(=O)(=O)N1CCOCC1 ZINC000003313199 568745870 /nfs/dbraw/zinc/74/58/70/568745870.db2.gz ZZMSHKXQJIDDCZ-UHFFFAOYSA-N 0 0 429.454 1.152 50 0 IDAARN O=C(Cc1ccccc1)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 ZINC000003623113 568751740 /nfs/dbraw/zinc/75/17/40/568751740.db2.gz OAFSPDBCOWXMSS-HXUWFJFHSA-N 0 0 444.369 1.594 50 0 IDAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccncc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000003622957 568751767 /nfs/dbraw/zinc/75/17/67/568751767.db2.gz LXZWANOZNMYUCL-IBGZPJMESA-N 0 0 445.357 1.369 50 0 IDAARN O=C(Cc1ccccc1)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 ZINC000003623111 568751787 /nfs/dbraw/zinc/75/17/87/568751787.db2.gz OAFSPDBCOWXMSS-FQEVSTJZSA-N 0 0 444.369 1.594 50 0 IDAARN 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568823455 /nfs/dbraw/zinc/82/34/55/568823455.db2.gz USHGVFYMPWXUBT-HXUWFJFHSA-N 0 0 435.546 1.434 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCc1ccccn1)N2C(C)=O ZINC000015775926 568823600 /nfs/dbraw/zinc/82/36/00/568823600.db2.gz KCDBTSJOUNZFEX-HXUWFJFHSA-N 0 0 430.530 1.706 50 0 IDAARN COc1cc(-c2nc3c([nH]c(=O)n3C[C@H]3CCCO3)c(C(N)=O)n2)cc(OC)c1OC ZINC000015778636 568824845 /nfs/dbraw/zinc/82/48/45/568824845.db2.gz NIHPJVGLEUVPSR-LLVKDONJSA-N 0 0 429.433 1.090 50 0 IDAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCc1c[nH]cn1 ZINC000085645316 568829852 /nfs/dbraw/zinc/82/98/52/568829852.db2.gz XZJDNKNKTBBEFQ-UHFFFAOYSA-N 0 0 445.549 1.468 50 0 IDAARN COc1ccc(CNC(=O)CCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000085645599 568830587 /nfs/dbraw/zinc/83/05/87/568830587.db2.gz GSAQJTZRBINYCL-UHFFFAOYSA-N 0 0 431.518 1.787 50 0 IDAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)O ZINC000034695292 568842414 /nfs/dbraw/zinc/84/24/14/568842414.db2.gz SNFAMLWBYDUMBA-ZOCIIQOWSA-N 0 0 430.457 1.268 50 0 IDAARN Cc1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000015863343 568849250 /nfs/dbraw/zinc/84/92/50/568849250.db2.gz OKBVOFZJQKCCMU-UHFFFAOYSA-N 0 0 440.525 1.356 50 0 IDAARN COc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3C)n(C)c(=O)n4C)CC2)c1 ZINC000015865686 568850535 /nfs/dbraw/zinc/85/05/35/568850535.db2.gz MDHDKJAAYQMTTF-UHFFFAOYSA-N 0 0 430.530 1.705 50 0 IDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000015865972 568850638 /nfs/dbraw/zinc/85/06/38/568850638.db2.gz BDNGSUQHHXZGPT-INIZCTEOSA-N 0 0 441.550 1.078 50 0 IDAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)C(=O)NC[C@H]1CCCO1 ZINC000015882006 568856326 /nfs/dbraw/zinc/85/63/26/568856326.db2.gz SXGPOUHRURNDFU-OCCSQVGLSA-N 0 0 428.557 1.736 50 0 IDAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1CCc2ccccc21 ZINC000015883752 568857929 /nfs/dbraw/zinc/85/79/29/568857929.db2.gz MZEZOZISJICVRD-UHFFFAOYSA-N 0 0 426.498 1.460 50 0 IDAARN O=S(=O)(c1ccccc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000015884204 568858052 /nfs/dbraw/zinc/85/80/52/568858052.db2.gz ZLOKRWFSMBTSGJ-UHFFFAOYSA-N 0 0 435.513 1.781 50 0 IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015958404 568860358 /nfs/dbraw/zinc/86/03/58/568860358.db2.gz SQGPABFIJDWYSY-DQFFEPAOSA-N 0 0 449.507 1.559 50 0 biogenic IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000016026191 568864502 /nfs/dbraw/zinc/86/45/02/568864502.db2.gz NOQMWPSDBROJAC-SYSFZUQMSA-N 0 0 432.480 1.099 50 0 biogenic IDAARN O=C(NCCNc1ncccn1)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000575443947 568869719 /nfs/dbraw/zinc/86/97/19/568869719.db2.gz BEQLIWJMDAMPAP-LJQANCHMSA-N 0 0 430.468 1.904 50 0 IDAARN Cc1nn(C)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000016237079 568874447 /nfs/dbraw/zinc/87/44/47/568874447.db2.gz LRLMPJMEAVKULD-UHFFFAOYSA-N 0 0 434.518 1.848 50 0 IDAARN COc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc(N2CCOCC2)n1 ZINC000575603400 568877814 /nfs/dbraw/zinc/87/78/14/568877814.db2.gz FWCCTPCBMFWYHX-MRXNPFEDSA-N 0 0 440.504 1.003 50 0 IDAARN COc1ccc(Br)c(C(=O)NCc2nc(OC)nc(N3CCOCC3)n2)c1 ZINC000575603358 568877822 /nfs/dbraw/zinc/87/78/22/568877822.db2.gz FIPIEKRGFZLVLY-UHFFFAOYSA-N 0 0 438.282 1.418 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)NCc3nc(N(C)C)nc(N4CCCC4)n3)CC2=O)cc1C ZINC000575607439 568878025 /nfs/dbraw/zinc/87/80/25/568878025.db2.gz UCAFWLCPRPKHKU-KRWDZBQOSA-N 0 0 437.548 1.824 50 0 IDAARN O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000575608880 568878650 /nfs/dbraw/zinc/87/86/50/568878650.db2.gz WBKRRKCWOBKTQU-YOEHRIQHSA-N 0 0 426.560 1.464 50 0 IDAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000575610720 568878827 /nfs/dbraw/zinc/87/88/27/568878827.db2.gz OFLQBVUXQJLXCW-UHFFFAOYSA-N 0 0 449.443 1.016 50 0 IDAARN CN1c2ccc(F)cc2N(CCNC(=O)CCS(=O)(=O)c2ccccc2)S1(=O)=O ZINC000575610915 568879081 /nfs/dbraw/zinc/87/90/81/568879081.db2.gz CFAIHEVXESUOHD-UHFFFAOYSA-N 0 0 441.506 1.307 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1C(N)=O ZINC000575613840 568879824 /nfs/dbraw/zinc/87/98/24/568879824.db2.gz WHUCGXRICNJNIP-OAQYLSRUSA-N 0 0 434.514 1.387 50 0 IDAARN COc1ccc(F)cc1S(=O)(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 ZINC000575616591 568881446 /nfs/dbraw/zinc/88/14/46/568881446.db2.gz SKXVTQSECPFLGY-UHFFFAOYSA-N 0 0 438.403 1.774 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3ccccc32)cn1C ZINC000035478375 568882513 /nfs/dbraw/zinc/88/25/13/568882513.db2.gz URWNREFAEYIPMI-SFHVURJKSA-N 0 0 431.514 1.944 50 0 IDAARN O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575619271 568882707 /nfs/dbraw/zinc/88/27/07/568882707.db2.gz JFRMHKNYKJZAMA-UHFFFAOYSA-N 0 0 434.475 1.677 50 0 IDAARN CC(C)Cn1c2nnc(CCC(=O)N3CCC(C(N)=O)CC3)n2c2ccsc2c1=O ZINC000035478647 568882795 /nfs/dbraw/zinc/88/27/95/568882795.db2.gz XHXICMYWLUJAGR-UHFFFAOYSA-N 0 0 430.534 1.418 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)cc2F)cn1C ZINC000035478317 568882804 /nfs/dbraw/zinc/88/28/04/568882804.db2.gz QVKDJSRSINRHPJ-HNNXBMFYSA-N 0 0 427.429 1.882 50 0 IDAARN COCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000009519838 568883776 /nfs/dbraw/zinc/88/37/76/568883776.db2.gz JBJLMXGBIFQUKD-UHFFFAOYSA-N 0 0 435.546 1.580 50 0 IDAARN CCOC(=O)c1nn(CCC(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000226972905 568885553 /nfs/dbraw/zinc/88/55/53/568885553.db2.gz XSIBGWBWCQDLDE-ZFWWWQNUSA-N 0 0 436.262 1.521 50 0 IDAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2F)C[C@@H](C)O1 ZINC000229762280 568886831 /nfs/dbraw/zinc/88/68/31/568886831.db2.gz KTSVMSVSZGQXEU-IIAWOOMASA-N 0 0 428.530 1.985 50 0 IDAARN COc1cccc(CNC(=O)Cn2cccc(-c3nc(-c4cnccn4)no3)c2=O)c1OC ZINC000090592112 568888693 /nfs/dbraw/zinc/88/86/93/568888693.db2.gz NIJLMWVBGQAGPV-UHFFFAOYSA-N 0 0 448.439 1.689 50 0 IDAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012972646 568889254 /nfs/dbraw/zinc/88/92/54/568889254.db2.gz NGTHHCFLNWMWRY-KBPBESRZSA-N 0 0 445.497 1.756 50 0 IDAARN Cc1ccc(-c2noc(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 ZINC000012972470 568889375 /nfs/dbraw/zinc/88/93/75/568889375.db2.gz VRJXIOSJAALQJZ-CQSZACIVSA-N 0 0 432.458 1.254 50 0 IDAARN O=C([C@H]1CSc2nccc(=O)n2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000090609922 568891581 /nfs/dbraw/zinc/89/15/81/568891581.db2.gz ILPJILDLGCVWIH-GFCCVEGCSA-N 0 0 425.436 1.728 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)CC1 ZINC000090610123 568891802 /nfs/dbraw/zinc/89/18/02/568891802.db2.gz MKQPBIVWKMPJCT-UHFFFAOYSA-N 0 0 448.907 1.449 50 0 IDAARN COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012980475 568893628 /nfs/dbraw/zinc/89/36/28/568893628.db2.gz WIUGOCCTAIZCRR-AWEZNQCLSA-N 0 0 448.545 1.411 50 0 IDAARN O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012981939 568894627 /nfs/dbraw/zinc/89/46/27/568894627.db2.gz PIHKSMMSQHDZSK-UHFFFAOYSA-N 0 0 435.575 1.630 50 0 IDAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023762141 568895403 /nfs/dbraw/zinc/89/54/03/568895403.db2.gz QEUMDRLSABYQHD-KPKJPENVSA-N 0 0 444.535 1.916 50 0 IDAARN CC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000012984046 568895470 /nfs/dbraw/zinc/89/54/70/568895470.db2.gz GILKPFBTOVHKRV-SFHVURJKSA-N 0 0 437.518 1.240 50 0 IDAARN COc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1S(N)(=O)=O ZINC000013000336 568898663 /nfs/dbraw/zinc/89/86/63/568898663.db2.gz WNGFFRUWAIXOQW-UHFFFAOYSA-N 0 0 430.486 1.698 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1C(N)=O ZINC000013011435 568901233 /nfs/dbraw/zinc/90/12/33/568901233.db2.gz YJYNEIPNGVYORQ-UHFFFAOYSA-N 0 0 428.873 1.063 50 0 IDAARN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)C2=NNC(=O)CC2)CC1 ZINC000013017703 568901877 /nfs/dbraw/zinc/90/18/77/568901877.db2.gz NESPTXMPVOIPRO-UHFFFAOYSA-N 0 0 434.562 1.700 50 0 IDAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2ccc(OCc3nccn3C)cc2)C1=O ZINC000253623951 568904236 /nfs/dbraw/zinc/90/42/36/568904236.db2.gz VLPBMJJVFXASBX-CQSZACIVSA-N 0 0 426.429 1.599 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3Br)CC2)cn1 ZINC000225596886 568906152 /nfs/dbraw/zinc/90/61/52/568906152.db2.gz ANHGSSKFZQBSHJ-UHFFFAOYSA-N 0 0 427.324 1.719 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)cn1 ZINC000225597428 568906399 /nfs/dbraw/zinc/90/63/99/568906399.db2.gz UGJSQUZROSLRLU-UHFFFAOYSA-N 0 0 432.546 1.392 50 0 IDAARN COc1ccc(NC(=O)Cc2sc(Nc3ccc(S(N)(=O)=O)cc3)nc2O)cc1 ZINC000001797022 568908105 /nfs/dbraw/zinc/90/81/05/568908105.db2.gz JYUISKHQRPNLNU-OAHLLOKOSA-N 0 0 434.499 1.781 50 0 IDAARN CN1C(=O)[C@H]2[C@H](c3cccs3)N3[C@@H]4C(=O)N(C)C(=O)[C@H]4[C@@H](c4cccs4)N3[C@H]2C1=O ZINC000238936935 568910277 /nfs/dbraw/zinc/91/02/77/568910277.db2.gz SPHHDFIPWOIWAC-AYYATWNNSA-N 0 0 442.522 1.105 50 0 IDAARN O=C1[C@H]2[C@H]3[C@@H]([C@@H]2C(=O)N1c1ccccn1)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(c3ccccn3)C(=O)[C@H]21 ZINC000240128353 568911832 /nfs/dbraw/zinc/91/18/32/568911832.db2.gz IQFRIXZUBQWFGI-LHLWAZSGSA-N 0 0 426.432 1.450 50 0 IDAARN O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCCN2CCOCC2)CC1 ZINC000245256856 568914204 /nfs/dbraw/zinc/91/42/04/568914204.db2.gz UGQCWTLZVDPDNI-XUTJKUGGSA-N 0 0 444.576 1.178 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccc(F)cc1 ZINC000001873269 568917174 /nfs/dbraw/zinc/91/71/74/568917174.db2.gz DNHVPMCSWWUSHB-IBGZPJMESA-N 0 0 448.332 1.805 50 0 IDAARN CC(=O)N[C@@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000026841580 568917905 /nfs/dbraw/zinc/91/79/05/568917905.db2.gz NWNJMUITOYPCJP-WDMOLILDSA-N 0 0 437.780 1.974 50 0 biogenic IDAARN O=c1c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2occ1-c1ccc(Cl)cc1 ZINC000253497344 568920217 /nfs/dbraw/zinc/92/02/17/568920217.db2.gz PIIJBWCFNYXGGN-JBINPLMMSA-N 0 0 434.828 1.292 50 0 biogenic IDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000016521544 568920863 /nfs/dbraw/zinc/92/08/63/568920863.db2.gz OPJDJKGQWWGFGL-UHFFFAOYSA-N 0 0 449.529 1.657 50 0 IDAARN CCOC(=O)C1=C(CN2Cc3ccccc3C[C@H]2C(=O)NC)NC(=O)N[C@@H]1c1ccco1 ZINC000026917325 568924610 /nfs/dbraw/zinc/92/46/10/568924610.db2.gz LDAZPUDDUJMEIJ-FXAWDEMLSA-N 0 0 438.484 1.624 50 0 IDAARN Cc1nc(CN2C(=O)COc3ccc(S(=O)(=O)NCc4ccc(F)cc4)cc32)no1 ZINC000064450607 568928599 /nfs/dbraw/zinc/92/85/99/568928599.db2.gz JLRRVGFRHXWKKY-UHFFFAOYSA-N 0 0 432.433 1.921 50 0 IDAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)N1CCOCC1)C2 ZINC000064565627 568932542 /nfs/dbraw/zinc/93/25/42/568932542.db2.gz AVLRDCCLUQRTTC-UHFFFAOYSA-N 0 0 425.489 1.196 50 0 IDAARN CCN1C2=C(C(=O)N([C@@H](C)C(=O)N3CCCC3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000035945447 568932631 /nfs/dbraw/zinc/93/26/31/568932631.db2.gz DYTOGGMSKUSXOX-SCLBCKFNSA-N 0 0 427.461 1.788 50 0 IDAARN Cc1c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cnn1CCO[C@@H]1CCCCO1 ZINC000089544829 568936925 /nfs/dbraw/zinc/93/69/25/568936925.db2.gz GCERJPSZEVOTRK-JOCHJYFZSA-N 0 0 447.580 1.505 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1 ZINC000016689719 568938193 /nfs/dbraw/zinc/93/81/93/568938193.db2.gz IPOJHGIIGWHNFZ-CABCVRRESA-N 0 0 429.564 1.093 50 0 IDAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000016695075 568938909 /nfs/dbraw/zinc/93/89/09/568938909.db2.gz SQTOYNZHPWFUFT-DENIHFKCSA-N 0 0 449.507 1.546 50 0 IDAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CCC(=O)N[C@@H]3CSC[C@H]3O)C2=O)c1 ZINC000054361023 568940732 /nfs/dbraw/zinc/94/07/32/568940732.db2.gz KIWVNOHTHHVOLH-HCWKHTBGSA-N 0 0 438.527 1.723 50 0 IDAARN COCCn1c(CCC(=O)NC2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000006648150 568943954 /nfs/dbraw/zinc/94/39/54/568943954.db2.gz PLMSNOGTJDJEJJ-UHFFFAOYSA-N 0 0 433.553 1.960 50 0 IDAARN COc1ccc(OCCN2CC(=O)N(c3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000036081893 568946828 /nfs/dbraw/zinc/94/68/28/568946828.db2.gz PDTDIWUTVWTLFQ-LEWJYISDSA-N 0 0 446.525 1.597 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccc(F)cc3)c2=O)cc1 ZINC000036085516 568948044 /nfs/dbraw/zinc/94/80/44/568948044.db2.gz ZLGMRTJAICZZAQ-IBGZPJMESA-N 0 0 438.459 1.799 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000036086262 568948491 /nfs/dbraw/zinc/94/84/91/568948491.db2.gz FGCOYAPVHNVIPX-UHFFFAOYSA-N 0 0 433.512 1.447 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036086426 568948613 /nfs/dbraw/zinc/94/86/13/568948613.db2.gz OTYRZFVTUWKFQO-UHFFFAOYSA-N 0 0 438.484 1.444 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3cccc(Cl)c3)c2=O)c1 ZINC000036087476 568948793 /nfs/dbraw/zinc/94/87/93/568948793.db2.gz NWBQTZQIVMHACK-UHFFFAOYSA-N 0 0 440.887 1.877 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036086706 568948962 /nfs/dbraw/zinc/94/89/62/568948962.db2.gz XFRJMDARFZAXET-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN Cc1cccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087103 568949429 /nfs/dbraw/zinc/94/94/29/568949429.db2.gz IDTBGCBNVQLPDC-UHFFFAOYSA-N 0 0 440.887 1.877 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036087168 568949493 /nfs/dbraw/zinc/94/94/93/568949493.db2.gz LWNSMPTUCNWMOE-UHFFFAOYSA-N 0 0 442.447 1.357 50 0 IDAARN CCN(C)C(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036088269 568950285 /nfs/dbraw/zinc/95/02/85/568950285.db2.gz NAHYMQQXSMHUHQ-UHFFFAOYSA-N 0 0 442.447 1.691 50 0 IDAARN COc1ccc(C(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)cc1OC ZINC000064755600 568951190 /nfs/dbraw/zinc/95/11/90/568951190.db2.gz HFYQLPVVYUGKON-UHFFFAOYSA-N 0 0 447.517 1.565 50 0 IDAARN COc1ccc(CNC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)cc1 ZINC000064775196 568954539 /nfs/dbraw/zinc/95/45/39/568954539.db2.gz JXJXNOVECBCOHV-UHFFFAOYSA-N 0 0 441.513 1.853 50 0 IDAARN CCCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000006721387 568963278 /nfs/dbraw/zinc/96/32/78/568963278.db2.gz INAZQBTWIKHSNN-MRXNPFEDSA-N 0 0 429.521 1.866 50 0 IDAARN COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21 ZINC000064818767 568965333 /nfs/dbraw/zinc/96/53/33/568965333.db2.gz YJZRXZDERFBMMG-UHFFFAOYSA-N 0 0 449.460 1.418 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C3CCCCC3)CC1)n(C)c(=O)c(=O)n2C ZINC000036163026 568967847 /nfs/dbraw/zinc/96/78/47/568967847.db2.gz NMUQMRBZNPADJP-UHFFFAOYSA-N 0 0 434.562 1.185 50 0 IDAARN O=C(c1cc(=O)nc2sc(N3CCOCC3)nn21)N1CCN(c2ccccc2F)CC1 ZINC000064836503 568969392 /nfs/dbraw/zinc/96/93/92/568969392.db2.gz CQQMBAGMBSGJFB-UHFFFAOYSA-N 0 0 444.492 1.089 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036211017 568976981 /nfs/dbraw/zinc/97/69/81/568976981.db2.gz SFJCEZJPDFWSQS-NRFANRHFSA-N 0 0 445.560 1.985 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)c2ccco2)CC1 ZINC000036210993 568976986 /nfs/dbraw/zinc/97/69/86/568976986.db2.gz AANHMCXKBFVCPV-FQEVSTJZSA-N 0 0 443.500 1.702 50 0 IDAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccc(OC)cc2)C(=O)NCCOC)CC1 ZINC000036214462 568977253 /nfs/dbraw/zinc/97/72/53/568977253.db2.gz LENKFNDYRTXTJF-SFHVURJKSA-N 0 0 436.578 1.163 50 0 IDAARN COc1ccc(NC(=O)Cn2c3nccnc3c(=O)n(Cc3ccccc3)c2=O)c(OC)c1 ZINC000064874320 568978669 /nfs/dbraw/zinc/97/86/69/568978669.db2.gz SACRVKLZULPIOC-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21)NCc1ccco1 ZINC000064887593 568979018 /nfs/dbraw/zinc/97/90/18/568979018.db2.gz DGXGMRORJGCMLV-UHFFFAOYSA-N 0 0 425.832 1.564 50 0 IDAARN COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)NCc3ccc(C)cc3)c2=O)c1 ZINC000064887680 568979163 /nfs/dbraw/zinc/97/91/63/568979163.db2.gz MLXFOBSOESGREQ-UHFFFAOYSA-N 0 0 445.479 1.635 50 0 IDAARN CCn1c(=O)c(-c2noc(CCC(=O)NC(C)C)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888408 568979484 /nfs/dbraw/zinc/97/94/84/568979484.db2.gz AGKSJVPVMDDVQM-UHFFFAOYSA-N 0 0 432.868 1.575 50 0 IDAARN Cn1c(=O)c(-c2noc(CCC(=O)NC3CCCC3)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888382 568979486 /nfs/dbraw/zinc/97/94/86/568979486.db2.gz FIKXNTSFVSXJJN-UHFFFAOYSA-N 0 0 444.879 1.626 50 0 IDAARN CC[C@@H](C)NC(=O)CCc1nc(-c2nn(-c3ccc(C)cc3)c(=O)n(CC)c2=O)no1 ZINC000064888287 568979494 /nfs/dbraw/zinc/97/94/94/568979494.db2.gz RZPOVBXMPYXABJ-CQSZACIVSA-N 0 0 426.477 1.620 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000064888975 568979517 /nfs/dbraw/zinc/97/95/17/568979517.db2.gz NEZFKGLNGDEUGT-UHFFFAOYSA-N 0 0 430.486 1.722 50 0 IDAARN Cc1ccccc1CN1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C(=O)C1=O ZINC000064888731 568979534 /nfs/dbraw/zinc/97/95/34/568979534.db2.gz QKASOYKFDPIFAO-UHFFFAOYSA-N 0 0 434.540 1.510 50 0 IDAARN Cn1c(=O)c(-c2noc(CCC(=O)N3CCCCC3)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888372 568979541 /nfs/dbraw/zinc/97/95/41/568979541.db2.gz FZTOYMRXPOYSDF-UHFFFAOYSA-N 0 0 444.879 1.580 50 0 IDAARN COc1cc(NC(=O)CN2CCN(Cc3cccc(C)c3)C(=O)C2=O)cc(OC)c1OC ZINC000064888806 568979558 /nfs/dbraw/zinc/97/95/58/568979558.db2.gz YUVYZNXHOORJFC-UHFFFAOYSA-N 0 0 441.484 1.830 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 ZINC000064888544 568979666 /nfs/dbraw/zinc/97/96/66/568979666.db2.gz HYGORZOBWNUVHN-UHFFFAOYSA-N 0 0 427.432 1.812 50 0 IDAARN CCOC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)c1 ZINC000064888519 568979726 /nfs/dbraw/zinc/97/97/26/568979726.db2.gz WEXFRDPOAPHUJI-UHFFFAOYSA-N 0 0 427.432 1.812 50 0 IDAARN COc1ccc(CNC(=O)CCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 ZINC000064889174 568980195 /nfs/dbraw/zinc/98/01/95/568980195.db2.gz KHKQWZXJWDWHDT-UHFFFAOYSA-N 0 0 443.529 1.931 50 0 IDAARN O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000064889662 568980410 /nfs/dbraw/zinc/98/04/10/568980410.db2.gz SRLZYFIBFYYPGG-UHFFFAOYSA-N 0 0 435.889 1.818 50 0 IDAARN O=C(c1ccsc1)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000064889625 568980475 /nfs/dbraw/zinc/98/04/75/568980475.db2.gz MMHCCBZGTPRBEQ-UHFFFAOYSA-N 0 0 441.918 1.879 50 0 IDAARN C[C@@H]1Oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)cc2NC1=O ZINC000064889808 568980614 /nfs/dbraw/zinc/98/06/14/568980614.db2.gz KHYGAPMGEBIXDW-NSHDSACASA-N 0 0 439.877 1.799 50 0 IDAARN O=C(Cc1ccccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064889911 568980631 /nfs/dbraw/zinc/98/06/31/568980631.db2.gz SDJJFMMSCDEDPT-UHFFFAOYSA-N 0 0 433.461 1.232 50 0 IDAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000064890034 568980779 /nfs/dbraw/zinc/98/07/79/568980779.db2.gz DHAIZUOYTJFLJJ-CQSZACIVSA-N 0 0 445.497 1.561 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2NC1=O ZINC000064889984 568980823 /nfs/dbraw/zinc/98/08/23/568980823.db2.gz JDIKUMZZHGIDRE-CQSZACIVSA-N 0 0 447.488 1.621 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4F)CC3)cc2NC1=O ZINC000064890070 568980936 /nfs/dbraw/zinc/98/09/36/568980936.db2.gz MIKOOZXFBZHJPM-CYBMUJFWSA-N 0 0 433.461 1.692 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000036250358 568983744 /nfs/dbraw/zinc/98/37/44/568983744.db2.gz VUPWAPYIDXYVMN-HXUWFJFHSA-N 0 0 432.590 1.755 50 0 IDAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc2NC1=O ZINC000064922004 568985784 /nfs/dbraw/zinc/98/57/84/568985784.db2.gz PCMLUIIWOHMIQQ-KRWDZBQOSA-N 0 0 437.518 1.056 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)cc2NC1=O ZINC000064921557 568986536 /nfs/dbraw/zinc/98/65/36/568986536.db2.gz MVWIMOZTOQPBSO-CYBMUJFWSA-N 0 0 433.486 1.716 50 0 IDAARN CCOC(=O)CNC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926079 568986961 /nfs/dbraw/zinc/98/69/61/568986961.db2.gz DVTHLGUGXKCNCQ-UHFFFAOYSA-N 0 0 449.511 1.840 50 0 IDAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NC4CC4)c3C(=O)N2C2CC2)cc1 ZINC000064954305 568997774 /nfs/dbraw/zinc/99/77/74/568997774.db2.gz BYJISQBZPWFVBD-HSZRJFAPSA-N 0 0 437.500 1.477 50 0 IDAARN CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cn(CC)cn3)CC2)s1 ZINC000064957519 568999079 /nfs/dbraw/zinc/99/90/79/568999079.db2.gz GKQHQBWVPFZUFB-UHFFFAOYSA-N 0 0 430.581 1.906 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)c1 ZINC000064957881 568999106 /nfs/dbraw/zinc/99/91/06/568999106.db2.gz JLPHZEMCNOKITO-GOSISDBHSA-N 0 0 431.562 1.653 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H]3Nc4cc(F)ccc4S(=O)(=O)N3)CC2)cc1 ZINC000064960067 569000167 /nfs/dbraw/zinc/00/01/67/569000167.db2.gz IWZSIAGPZSVQBZ-IBGZPJMESA-N 0 0 432.477 1.407 50 0 IDAARN O=C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000169691707 569000708 /nfs/dbraw/zinc/00/07/08/569000708.db2.gz FYCUCUDXCHKGHM-QZTJIDSGSA-N 0 0 442.559 1.230 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(C)c1)C(=O)N2 ZINC000064965706 569000848 /nfs/dbraw/zinc/00/08/48/569000848.db2.gz KISIPIXXRKSVKP-UHFFFAOYSA-N 0 0 441.509 1.882 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccn1)C(=O)[C@H]1CCCCN21 ZINC000064966268 569001243 /nfs/dbraw/zinc/00/12/43/569001243.db2.gz YZFYJXBQHMIEHA-QGZVFWFLSA-N 0 0 443.529 1.676 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NC1CC1)C(=O)[C@H]1CCCCN21 ZINC000064966501 569001356 /nfs/dbraw/zinc/00/13/56/569001356.db2.gz RZMNOYXIKUQTGR-GOSISDBHSA-N 0 0 434.562 1.701 50 0 IDAARN CC[C@H](C(=O)NCCN1CCOCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971014 569076497 /nfs/dbraw/zinc/07/64/97/569076497.db2.gz GCROJAOZTGEJIJ-LJQANCHMSA-N 0 0 438.532 1.599 50 0 IDAARN O=C(NCc1ccccn1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036352655 569083824 /nfs/dbraw/zinc/08/38/24/569083824.db2.gz AUACCLJXWCRARG-INIZCTEOSA-N 0 0 428.514 1.535 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)o1 ZINC000036352969 569083902 /nfs/dbraw/zinc/08/39/02/569083902.db2.gz CNFOGYQDMKUZBJ-UHFFFAOYSA-N 0 0 435.502 1.446 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCC(C(=O)OC)CC2)c1 ZINC000006839655 569085409 /nfs/dbraw/zinc/08/54/09/569085409.db2.gz NQFBMTMYHRVVGM-UHFFFAOYSA-N 0 0 425.551 1.849 50 0 IDAARN Cn1c(=O)c2c(n(C)c1=O)CN1C=CSC1=N[C@]2(O)c1cccc(Br)c1 ZINC000036358870 569085412 /nfs/dbraw/zinc/08/54/12/569085412.db2.gz XGVGMDHZAGFBOI-KRWDZBQOSA-N 0 0 435.303 1.430 50 0 IDAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccccc1OCCN1CCCC1=O)CC(=O)N2 ZINC000036358952 569085485 /nfs/dbraw/zinc/08/54/85/569085485.db2.gz OMTUFGYEZHGQJY-MRXNPFEDSA-N 0 0 448.483 1.739 50 0 IDAARN O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1cc(F)c(F)c(F)c1 ZINC000036359460 569085754 /nfs/dbraw/zinc/08/57/54/569085754.db2.gz WHJOAJLYHFTHPZ-OAHLLOKOSA-N 0 0 427.404 1.622 50 0 IDAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)N(C)C)CC3)c2c1 ZINC000036359625 569086401 /nfs/dbraw/zinc/08/64/01/569086401.db2.gz XCHDDYCIDCCIRV-HXUWFJFHSA-N 0 0 429.521 1.594 50 0 IDAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)N4CCOCC4)c(Cl)cc32)no1 ZINC000065022524 569088880 /nfs/dbraw/zinc/08/88/80/569088880.db2.gz MCPAIXYKEFHPFE-UHFFFAOYSA-N 0 0 442.881 1.232 50 0 IDAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4cc(=O)n(C)c(=O)n4C)C3)CC2)c1C ZINC000065024112 569089426 /nfs/dbraw/zinc/08/94/26/569089426.db2.gz VAHNZGNLTMBBJG-IBGZPJMESA-N 0 0 439.560 1.266 50 0 IDAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)cc1OCC ZINC000065024180 569089427 /nfs/dbraw/zinc/08/94/27/569089427.db2.gz GIFQQSRMJRHUJF-QGZVFWFLSA-N 0 0 444.532 1.414 50 0 IDAARN CCn1c2c(ccn2CC(=O)N2CCN(c3cccc(OC)c3)CC2)c(=O)n(CC)c1=O ZINC000065030865 569091305 /nfs/dbraw/zinc/09/13/05/569091305.db2.gz PYAREZWVBAQLNF-UHFFFAOYSA-N 0 0 439.516 1.362 50 0 IDAARN O=C(Cc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)CC1 ZINC000065032464 569091431 /nfs/dbraw/zinc/09/14/31/569091431.db2.gz XHQNRVPQSAJLAV-UHFFFAOYSA-N 0 0 435.502 1.804 50 0 IDAARN Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000036386028 569092876 /nfs/dbraw/zinc/09/28/76/569092876.db2.gz KKGPTQJRINLVPH-UHFFFAOYSA-N 0 0 428.562 1.434 50 0 IDAARN Cc1csc(CC(=O)N2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)OCO4)CC2)n1 ZINC000036385400 569093001 /nfs/dbraw/zinc/09/30/01/569093001.db2.gz IFTCWUIBWTWSSB-OAHLLOKOSA-N 0 0 430.530 1.744 50 0 IDAARN COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1OC ZINC000169752542 569093230 /nfs/dbraw/zinc/09/32/30/569093230.db2.gz HEIKEJZZABIWDN-UHFFFAOYSA-N 0 0 448.479 1.989 50 0 IDAARN Cn1c(=O)n(CC(=O)NCc2ccco2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057062 569094986 /nfs/dbraw/zinc/09/49/86/569094986.db2.gz AWWXSJDNDONMFK-UHFFFAOYSA-N 0 0 425.832 1.720 50 0 IDAARN COc1cccc(CNC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCCC3)c1 ZINC000169764021 569096648 /nfs/dbraw/zinc/09/66/48/569096648.db2.gz CGAZGBLRARNYPB-UHFFFAOYSA-N 0 0 439.472 1.420 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(NC(=O)c4ccncc4)CC3)cc2C[C@H]1C ZINC000036395786 569098881 /nfs/dbraw/zinc/09/88/81/569098881.db2.gz WVQFKNZFFFVRSY-OAHLLOKOSA-N 0 0 442.541 1.962 50 0 IDAARN CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(F)cc4)CC3)ccc21 ZINC000065075830 569099756 /nfs/dbraw/zinc/09/97/56/569099756.db2.gz PRSYIOZRXGZLAE-UHFFFAOYSA-N 0 0 447.488 1.829 50 0 IDAARN CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1 ZINC000065075749 569099768 /nfs/dbraw/zinc/09/97/68/569099768.db2.gz OGIQTGYGQHVJME-UHFFFAOYSA-N 0 0 444.513 1.344 50 0 IDAARN O=C(Cn1nc(C(=O)N2CCc3ccccc32)ccc1=O)N1CCN(c2ccccc2)CC1 ZINC000065076262 569100069 /nfs/dbraw/zinc/10/00/69/569100069.db2.gz FDLBRFFLDHXJBA-UHFFFAOYSA-N 0 0 443.507 1.795 50 0 IDAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000036398565 569101502 /nfs/dbraw/zinc/10/15/02/569101502.db2.gz FXBRIWSYXNDEKC-OALUTQOASA-N 0 0 445.516 1.982 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)NC[C@H]4CCCO4)CC3)ccc21 ZINC000065085635 569103204 /nfs/dbraw/zinc/10/32/04/569103204.db2.gz GEQGXHGREGGQEM-LJQANCHMSA-N 0 0 449.573 1.682 50 0 IDAARN CCCNC(=O)C1CCN(c2nc3ncn(CC(=O)N[C@@H](C)CC)c(=O)c3s2)CC1 ZINC000065101206 569105742 /nfs/dbraw/zinc/10/57/42/569105742.db2.gz QTOVWEXUNCUJSG-ZDUSSCGKSA-N 0 0 434.566 1.510 50 0 IDAARN COc1ccc(CNS(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)cc1 ZINC000065115414 569106697 /nfs/dbraw/zinc/10/66/97/569106697.db2.gz MYJLIEOTKCAFGV-UHFFFAOYSA-N 0 0 431.470 1.787 50 0 IDAARN CN1CCN(C(=O)c2ccc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3=O)cc2)CC1 ZINC000065130322 569109156 /nfs/dbraw/zinc/10/91/56/569109156.db2.gz GXKOKPAFOQKPNX-UHFFFAOYSA-N 0 0 438.503 1.584 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3c(N4CCSCC4)nccn3c2=O)cc1OC ZINC000065151592 569111374 /nfs/dbraw/zinc/11/13/74/569111374.db2.gz DZSXTLAQKUXAIS-UHFFFAOYSA-N 0 0 430.490 1.100 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)cc1 ZINC000065151884 569111469 /nfs/dbraw/zinc/11/14/69/569111469.db2.gz STRDUPLDNQBTPA-HUUCEWRRSA-N 0 0 438.488 1.799 50 0 IDAARN Cc1ccc(-n2c3ncc(C(=O)Nc4ccccc4C(N)=O)cc3c(=O)n(C)c2=O)cc1 ZINC000065197149 569116000 /nfs/dbraw/zinc/11/60/00/569116000.db2.gz ZNSSPMVOQZLMPA-UHFFFAOYSA-N 0 0 429.436 1.744 50 0 IDAARN CC(=O)Nc1ccc(C(=O)N2C[C@@H]3CN(S(=O)(=O)c4cccc(C)c4)C[C@H](C2)O3)cc1 ZINC000065225103 569117803 /nfs/dbraw/zinc/11/78/03/569117803.db2.gz PYQDCAKWTAOING-BGYRXZFFSA-N 0 0 443.525 1.868 50 0 IDAARN CCc1nc2cc(N3CCC[C@@H](C(=O)NCCN4CCOCC4)C3)cnc2nc1CC ZINC000065227304 569118108 /nfs/dbraw/zinc/11/81/08/569118108.db2.gz SVPJIOCQOQPFQP-QGZVFWFLSA-N 0 0 426.565 1.814 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F)C(=O)OC ZINC000036569633 569118348 /nfs/dbraw/zinc/11/83/48/569118348.db2.gz DZFMOJLTSIXPFE-RDTXWAMCSA-N 0 0 436.415 1.840 50 0 IDAARN COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000036579816 569119667 /nfs/dbraw/zinc/11/96/67/569119667.db2.gz JVLAOMGRSXSNLH-RHSMWYFYSA-N 0 0 438.843 1.964 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)C1 ZINC000065240007 569120775 /nfs/dbraw/zinc/12/07/75/569120775.db2.gz PQGYVWMRNDNBKE-HNNXBMFYSA-N 0 0 430.534 1.631 50 0 IDAARN COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(F)c(F)c1F)C(=O)OC ZINC000036589893 569121131 /nfs/dbraw/zinc/12/11/31/569121131.db2.gz MWVQTIUVCSEGKD-SJKOYZFVSA-N 0 0 440.378 1.589 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1)C(=O)OC ZINC000036593423 569121247 /nfs/dbraw/zinc/12/12/47/569121247.db2.gz GJWFEFWVJNGEPG-VQIMIIECSA-N 0 0 430.461 1.570 50 0 IDAARN COc1ccc(OCCN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000036592923 569121266 /nfs/dbraw/zinc/12/12/66/569121266.db2.gz MSRXSRSKVDILFW-NHCUHLMSSA-N 0 0 446.525 1.597 50 0 IDAARN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C1)C(=O)N2 ZINC000065249024 569121932 /nfs/dbraw/zinc/12/19/32/569121932.db2.gz HMRXJHPJNXLZQV-HXUWFJFHSA-N 0 0 429.454 1.425 50 0 biogenic IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000036614643 569122293 /nfs/dbraw/zinc/12/22/93/569122293.db2.gz CWSQCZDFQIGXDR-UHFFFAOYSA-N 0 0 446.982 1.868 50 0 IDAARN O=C(NCCN1CCOCC1)[C@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259858 569124785 /nfs/dbraw/zinc/12/47/85/569124785.db2.gz CULLCQPIHZAFEP-QGZVFWFLSA-N 0 0 441.619 1.768 50 0 biogenic IDAARN COc1cc([C@@H](CC(=O)N[C@H]2CCS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731439 569126407 /nfs/dbraw/zinc/12/64/07/569126407.db2.gz XYBBCSLUKDMCAQ-UONOGXRCSA-N 0 0 437.470 1.193 50 0 biogenic IDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(CCOc2ccc(F)cc2)CC1 ZINC000524733167 569127151 /nfs/dbraw/zinc/12/71/51/569127151.db2.gz AZSHWKLTFMKPAX-FQEVSTJZSA-N 0 0 440.475 1.490 50 0 IDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c([C@H]2COc3ccccc3O2)n1 ZINC000524732495 569127422 /nfs/dbraw/zinc/12/74/22/569127422.db2.gz JJYZPEASNOWSFB-XJKSGUPXSA-N 0 0 434.412 1.397 50 0 IDAARN CSCC[C@@H](C(=O)NCCc1nnc2ccccn21)n1c(=O)[nH]c2ccccc2c1=O ZINC000524732678 569127450 /nfs/dbraw/zinc/12/74/50/569127450.db2.gz VSAYXVCEHSRGSZ-INIZCTEOSA-N 0 0 438.513 1.798 50 0 IDAARN O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000524734151 569127510 /nfs/dbraw/zinc/12/75/10/569127510.db2.gz COGHLRWWIHJDFN-UHFFFAOYSA-N 0 0 432.550 1.547 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N[C@H]1CCS(=O)(=O)C1 ZINC000524734623 569127733 /nfs/dbraw/zinc/12/77/33/569127733.db2.gz WOULUQYUSHSAAF-VBKZILBWSA-N 0 0 439.493 1.495 50 0 IDAARN C=C1C(N2CCC(NC(=O)N[C@@H](C)C(=O)OC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271801 569128603 /nfs/dbraw/zinc/12/86/03/569128603.db2.gz OTWWISMTUHZAGP-AWEZNQCLSA-N 0 0 434.518 1.485 50 0 IDAARN C=C1C(N2CCC(NC(=O)NCCC(=O)OC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065271796 569128629 /nfs/dbraw/zinc/12/86/29/569128629.db2.gz PUQBVWJQGOZUAO-UHFFFAOYSA-N 0 0 448.545 1.795 50 0 IDAARN CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCCN2CCOCC2)CC3)CC1 ZINC000065273607 569129912 /nfs/dbraw/zinc/12/99/12/569129912.db2.gz VRKNRYUJOFWLLO-KRWDZBQOSA-N 0 0 449.621 1.001 50 0 IDAARN NC(=O)C1CCN(c2nc3c(cnn3-c3ccc(F)cc3)c(N3CCOCC3)n2)CC1 ZINC000036656932 569130219 /nfs/dbraw/zinc/13/02/19/569130219.db2.gz DCQUDTJJTJTVFD-UHFFFAOYSA-N 0 0 425.468 1.493 50 0 IDAARN CC[C@]1(N2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)CCN(C(=O)NC)C1 ZINC000065292097 569130353 /nfs/dbraw/zinc/13/03/53/569130353.db2.gz CSCXMLYIGWKDBG-IBGZPJMESA-N 0 0 444.985 1.849 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN([C@]3(CC)CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000065292216 569130724 /nfs/dbraw/zinc/13/07/24/569130724.db2.gz WRLMOSNLIQLOGK-LJQANCHMSA-N 0 0 445.607 1.206 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)NCc4ccccn4)CC3)cc2sc1=O ZINC000065305111 569132919 /nfs/dbraw/zinc/13/29/19/569132919.db2.gz OSPYLRXHRDATBS-UHFFFAOYSA-N 0 0 446.554 1.712 50 0 IDAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)NCc4ccccn4)c(C)cc32)no1 ZINC000065305118 569132933 /nfs/dbraw/zinc/13/29/33/569132933.db2.gz ROPYIPUZYVRODP-UHFFFAOYSA-N 0 0 443.485 1.740 50 0 IDAARN Cc1ccccc1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2C[C@@H]2CCCO2)c1=O ZINC000065305457 569133182 /nfs/dbraw/zinc/13/31/82/569133182.db2.gz MJTXKIGWFBLOOS-AWEZNQCLSA-N 0 0 439.497 1.999 50 0 IDAARN COc1cc(C(=O)N2CCN(c3cc(C)n4c(C)nnc4n3)CC2)cc(OC)c1OC ZINC000065311818 569133598 /nfs/dbraw/zinc/13/35/98/569133598.db2.gz XGNIWDQRWZQVDK-UHFFFAOYSA-N 0 0 426.477 1.729 50 0 IDAARN CCc1cc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nc2nncn21 ZINC000065311917 569133621 /nfs/dbraw/zinc/13/36/21/569133621.db2.gz AKHBKQYJYDMCMP-UHFFFAOYSA-N 0 0 426.477 1.675 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2c(=O)c3c(cc(C)n3C)nc2N2CCOCC2)c1 ZINC000065311149 569133703 /nfs/dbraw/zinc/13/37/03/569133703.db2.gz UJYTVSAAPZBSOF-UHFFFAOYSA-N 0 0 441.488 1.536 50 0 IDAARN O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000036708442 569135806 /nfs/dbraw/zinc/13/58/06/569135806.db2.gz UZMDHYIUONZSLN-HNNXBMFYSA-N 0 0 439.457 1.731 50 0 IDAARN Cc1oc2ncn(Cc3ccccc3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1 ZINC000065329781 569136985 /nfs/dbraw/zinc/13/69/85/569136985.db2.gz ZKNFOTDHXJYTHE-UHFFFAOYSA-N 0 0 439.453 1.641 50 0 IDAARN O=C(NCCN1Cc2ccccc2OCC1=O)[C@H]1CC(=O)N(CCc2cccs2)C1 ZINC000238832164 569137316 /nfs/dbraw/zinc/13/73/16/569137316.db2.gz GEDBTHIRYVKSRL-KRWDZBQOSA-N 0 0 427.526 1.677 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cncc(Br)c3)CC2)cn1C ZINC000238950241 569138066 /nfs/dbraw/zinc/13/80/66/569138066.db2.gz WUYIKIHESCJKQT-UHFFFAOYSA-N 0 0 442.339 1.423 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)NC(=O)c2cccs2)n(C)c1 ZINC000036795411 569138070 /nfs/dbraw/zinc/13/80/70/569138070.db2.gz TXCDLOOQFLLYPS-UHFFFAOYSA-N 0 0 427.504 1.231 50 0 IDAARN C[C@@H]1CN(c2ccccc2NC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000065535246 569139510 /nfs/dbraw/zinc/13/95/10/569139510.db2.gz APBUAPMFJPLGFK-OWCLPIDISA-N 0 0 438.550 1.115 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000007425765 569140162 /nfs/dbraw/zinc/14/01/62/569140162.db2.gz OPRQIQNIFGUQCY-MRXNPFEDSA-N 0 0 429.521 1.938 50 0 IDAARN NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000037187806 569140647 /nfs/dbraw/zinc/14/06/47/569140647.db2.gz BGYRTTSFDSIBIR-FQEVSTJZSA-N 0 0 442.541 1.322 50 0 IDAARN O=C(C[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CCN(Cc2cccnc2)CC1 ZINC000526052628 569140699 /nfs/dbraw/zinc/14/06/99/569140699.db2.gz XQPQSXFKRYJJET-QGZVFWFLSA-N 0 0 447.417 1.658 50 0 IDAARN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000170591887 569141006 /nfs/dbraw/zinc/14/10/06/569141006.db2.gz KDVSOGNZGNIXIC-LVCYWYKZSA-N 0 0 437.562 1.363 50 0 IDAARN Cn1cc(N2CCC[C@H](N3CCN(C(=O)C4(c5ccc(F)cc5)CC4)CC3)C2=O)cn1 ZINC000170593265 569141124 /nfs/dbraw/zinc/14/11/24/569141124.db2.gz QQENLLDNSOXYTL-FQEVSTJZSA-N 0 0 425.508 1.931 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC(N)=O)CC(F)(F)F)ccc1Cl ZINC000170597609 569142303 /nfs/dbraw/zinc/14/23/03/569142303.db2.gz NKPSWMKJMDVKBH-UHFFFAOYSA-N 0 0 429.848 1.860 50 0 IDAARN NC(=O)C1=NO[C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C1 ZINC000170605990 569143851 /nfs/dbraw/zinc/14/38/51/569143851.db2.gz HRYQGJQUSUNLDL-AEFFLSMTSA-N 0 0 428.876 1.428 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2CCCCN2Cc2ccccn2)c1 ZINC000170610718 569145021 /nfs/dbraw/zinc/14/50/21/569145021.db2.gz GCNAZPFHSMZKOS-GOSISDBHSA-N 0 0 432.502 1.265 50 0 IDAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2noc(-c3cccc(F)c3)n2)c1 ZINC000170619800 569147451 /nfs/dbraw/zinc/14/74/51/569147451.db2.gz AVMWFXDKSWYNET-UHFFFAOYSA-N 0 0 449.416 1.927 50 0 IDAARN Cn1c2nc(N3CCCCCC3)n(C[C@@H](O)COc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000170624424 569148105 /nfs/dbraw/zinc/14/81/05/569148105.db2.gz RRHPFAWIIALNTK-CQSZACIVSA-N 0 0 447.923 1.897 50 0 IDAARN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3nnc(C(N)=O)n3)cc2)cc1 ZINC000070999415 569149255 /nfs/dbraw/zinc/14/92/55/569149255.db2.gz XXCAOMGTAHKWQC-UHFFFAOYSA-N 0 0 428.474 1.125 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000009883668 569150102 /nfs/dbraw/zinc/15/01/02/569150102.db2.gz HNQJGTIUOMEYCP-KGLIPLIRSA-N 0 0 447.513 1.960 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3C3CC3)CC2)cc1C ZINC000009910101 569150470 /nfs/dbraw/zinc/15/04/70/569150470.db2.gz HDMCKXQUYKXZJY-UHFFFAOYSA-N 0 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O=C(NCc1ccco1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219938 569152825 /nfs/dbraw/zinc/15/28/25/569152825.db2.gz VCIOIFWNWQGWHU-UHFFFAOYSA-N 0 0 434.861 1.802 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010216332 569153141 /nfs/dbraw/zinc/15/31/41/569153141.db2.gz JQMSJDUVWYYQDP-UHFFFAOYSA-N 0 0 442.497 1.848 50 0 IDAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1cc(OC)ccc1OC ZINC000010216595 569153149 /nfs/dbraw/zinc/15/31/49/569153149.db2.gz QISDRSAIVSHTGX-UHFFFAOYSA-N 0 0 444.513 1.943 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010217053 569153230 /nfs/dbraw/zinc/15/32/30/569153230.db2.gz UDSHZUAANKXIOL-UHFFFAOYSA-N 0 0 428.470 1.540 50 0 IDAARN CCc1nnc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000010216925 569153255 /nfs/dbraw/zinc/15/32/55/569153255.db2.gz CTSBSXQOXLFMPV-UHFFFAOYSA-N 0 0 434.547 1.900 50 0 IDAARN Cc1cc(O)c(Cc2c(O)cc(C)n(C[C@@H]3CCCO3)c2=O)c(=O)n1C[C@@H]1CCCO1 ZINC000010217781 569153390 /nfs/dbraw/zinc/15/33/90/569153390.db2.gz XIUYHNYPKYOZQZ-IRXDYDNUSA-N 0 0 430.501 1.987 50 0 IDAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)NC2CCCCC2)CS(=O)(=O)C3)cc1 ZINC000010219748 569153831 /nfs/dbraw/zinc/15/38/31/569153831.db2.gz GYHAHZAFZACGBR-UHFFFAOYSA-N 0 0 432.502 1.697 50 0 IDAARN O=C(NCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000010219808 569153847 /nfs/dbraw/zinc/15/38/47/569153847.db2.gz DMHMGAGPQIDAJL-UHFFFAOYSA-N 0 0 428.445 1.695 50 0 IDAARN COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CSc2ncccn2)cc1=O ZINC000010254919 569153871 /nfs/dbraw/zinc/15/38/71/569153871.db2.gz BYDCQPBBQAAEJY-UHFFFAOYSA-N 0 0 440.481 1.984 50 0 IDAARN Cc1csc(NC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCCC3)n1 ZINC000010255193 569153931 /nfs/dbraw/zinc/15/39/31/569153931.db2.gz YDAPVKJGIWGXFS-UHFFFAOYSA-N 0 0 434.591 1.501 50 0 IDAARN CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2-n2ncc3c2nc[nH]c3=O)C1 ZINC000071795549 569154322 /nfs/dbraw/zinc/15/43/22/569154322.db2.gz TXUMHUXSNKAMCE-AWEZNQCLSA-N 0 0 444.517 1.499 50 0 IDAARN CC[C@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000010385987 569154400 /nfs/dbraw/zinc/15/44/00/569154400.db2.gz UKPQUWANMCBFBY-GXTWGEPZSA-N 0 0 435.912 1.737 50 0 IDAARN COc1ccc(OC[C@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010385774 569154476 /nfs/dbraw/zinc/15/44/76/569154476.db2.gz DNWBISQKNSCGSA-OAHLLOKOSA-N 0 0 445.520 1.340 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)o2)n(C)n1 ZINC000013615032 569156414 /nfs/dbraw/zinc/15/64/14/569156414.db2.gz RYTOYNOOXGXKDL-HNNXBMFYSA-N 0 0 430.490 1.879 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)n(C)n1 ZINC000013614964 569156433 /nfs/dbraw/zinc/15/64/33/569156433.db2.gz QJMSMHZNKGSFKU-UHFFFAOYSA-N 0 0 448.480 1.957 50 0 IDAARN COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c(OC)c1 ZINC000013769132 569156893 /nfs/dbraw/zinc/15/68/93/569156893.db2.gz MIFMVXKCCWKQBM-ZDLGFXPLSA-N 0 0 425.441 1.806 50 0 IDAARN COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000013730319 569156922 /nfs/dbraw/zinc/15/69/22/569156922.db2.gz IEOSMBXDDVNLRB-ZDUSSCGKSA-N 0 0 436.511 1.759 50 0 IDAARN Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000014048112 569157671 /nfs/dbraw/zinc/15/76/71/569157671.db2.gz RSEQQLFYPQBIAU-UHFFFAOYSA-N 0 0 431.396 1.104 50 0 IDAARN Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000014274938 569158506 /nfs/dbraw/zinc/15/85/06/569158506.db2.gz PBFDZKCTWOGPEG-SFHVURJKSA-N 0 0 446.529 1.754 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000014518247 569159168 /nfs/dbraw/zinc/15/91/68/569159168.db2.gz MROJAWPVLXWBLG-QRVBRYPASA-N 0 0 432.542 1.768 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)c(C)c1 ZINC000089614319 569159817 /nfs/dbraw/zinc/15/98/17/569159817.db2.gz PHKHJZYCSIXWMT-UHFFFAOYSA-N 0 0 443.573 1.843 50 0 IDAARN COc1ccc(C)c2sc(N3CCN(C(=O)[C@@H]4CCCN4S(C)(=O)=O)CC3)nc21 ZINC000016847904 569164223 /nfs/dbraw/zinc/16/42/23/569164223.db2.gz 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O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000017169679 569175225 /nfs/dbraw/zinc/17/52/25/569175225.db2.gz AVAPWFFGKMVBMS-YOEHRIQHSA-N 0 0 440.905 1.859 50 0 IDAARN Cc1ccccc1NC(=O)[C@H](C)NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002126661 569183983 /nfs/dbraw/zinc/18/39/83/569183983.db2.gz SOJAAJNZOAFWND-WGFFODHRSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000002132005 569185012 /nfs/dbraw/zinc/18/50/12/569185012.db2.gz CNUXTOQYWCNBPK-XQNUDUSMSA-N 0 0 425.485 1.913 50 0 biogenic IDAARN Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000002134553 569185232 /nfs/dbraw/zinc/18/52/32/569185232.db2.gz JESAKGFQNKXLOS-HLWREBGISA-N 0 0 434.489 1.835 50 0 biogenic IDAARN CC(C)[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1)N1CCCS1(=O)=O ZINC000252480165 569186122 /nfs/dbraw/zinc/18/61/22/569186122.db2.gz 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O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000252527770 569189732 /nfs/dbraw/zinc/18/97/32/569189732.db2.gz DIGJCLQWPVZGLW-KSZLIROESA-N 0 0 447.561 1.129 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1OC ZINC000252536759 569190013 /nfs/dbraw/zinc/19/00/13/569190013.db2.gz JNIWXKMFTOUYBB-IAGOWNOFSA-N 0 0 427.457 1.569 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccncc2)CC1 ZINC000252548533 569190899 /nfs/dbraw/zinc/19/08/99/569190899.db2.gz QAJQWJNELMAXMI-OAQYLSRUSA-N 0 0 435.528 1.874 50 0 IDAARN Cn1cc([C@H]2C[S@@](=O)CCN2Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cn1 ZINC000252572623 569191220 /nfs/dbraw/zinc/19/12/20/569191220.db2.gz ZNMCIFBINBVLON-HOLBHBGLSA-N 0 0 425.440 1.720 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)N[C@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000252571346 569191238 /nfs/dbraw/zinc/19/12/38/569191238.db2.gz XWHYYXJRZNQHKP-RHSMWYFYSA-N 0 0 436.472 1.673 50 0 IDAARN COC(=O)[C@@](NC(=O)Cc1ccccc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002196988 569191513 /nfs/dbraw/zinc/19/15/13/569191513.db2.gz MAZHBSSHTLHGBP-QGZVFWFLSA-N 0 0 430.404 1.755 50 0 IDAARN COCCNC(=O)CN1C(=O)COc2ccc(C(=O)COc3ccccc3OC)cc21 ZINC000037519498 569198046 /nfs/dbraw/zinc/19/80/46/569198046.db2.gz NODOOXSOQRZXAG-UHFFFAOYSA-N 0 0 428.441 1.445 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccc(Br)o3)CC2)cn1C ZINC000244986289 569204814 /nfs/dbraw/zinc/20/48/14/569204814.db2.gz JODZJGPSUBURLN-UHFFFAOYSA-N 0 0 431.312 1.621 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000252640590 569208621 /nfs/dbraw/zinc/20/86/21/569208621.db2.gz YVDQISGVEKVZDF-LAQRGFTBSA-N 0 0 448.564 1.643 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccco1 ZINC000002237520 569212476 /nfs/dbraw/zinc/21/24/76/569212476.db2.gz DKBOEFCISTZZHZ-KRWDZBQOSA-N 0 0 438.293 1.398 50 0 IDAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(F)cc4)sc3nc2=O)cc1OC ZINC000002260265 569215645 /nfs/dbraw/zinc/21/56/45/569215645.db2.gz PGLJYEYGSGUWDL-WQRHYEAKSA-N 0 0 425.441 1.806 50 0 IDAARN C/C=C(\C)CN1CCc2c(C(=O)N3CCCC[C@@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000012133546 569256624 /nfs/dbraw/zinc/25/66/24/569256624.db2.gz OCONGDYIXPAZHD-BDSVNUEJSA-N 0 0 431.533 1.849 50 0 IDAARN CC1(C)O[C@@H]2O[C@@H]([C@H](O)CNC(=O)c3ccccc3)[C@@H](NC(=O)c3ccccc3)[C@@H]2O1 ZINC000019909155 569257115 /nfs/dbraw/zinc/25/71/15/569257115.db2.gz UEDFTTNMYCEQLI-FNIAAEIWSA-N 0 0 426.469 1.452 50 0 IDAARN CCO[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)[C@]12CCCO2 ZINC000253369249 569263949 /nfs/dbraw/zinc/26/39/49/569263949.db2.gz AFSPWTBZQCALIL-WQZMEWCLSA-N 0 0 438.546 1.600 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCc3nc4ccccc4n3C)C2=O)cc1 ZINC000253394472 569264479 /nfs/dbraw/zinc/26/44/79/569264479.db2.gz CJXOSVWXICZRPQ-GOSISDBHSA-N 0 0 435.484 1.956 50 0 IDAARN COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)CC2=O)c1 ZINC000253393221 569264481 /nfs/dbraw/zinc/26/44/81/569264481.db2.gz YOSGCFUUMCMLGT-WHSLLNHNSA-N 0 0 432.517 1.741 50 0 IDAARN COc1ccccc1CCN1C[C@H](C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1=O ZINC000253409060 569265589 /nfs/dbraw/zinc/26/55/89/569265589.db2.gz LIUIEGUMRMJMRD-YZGWKJHDSA-N 0 0 435.524 1.894 50 0 biogenic IDAARN COc1ccc(OC)c(N2C[C@@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)c1 ZINC000253413645 569265995 /nfs/dbraw/zinc/26/59/95/569265995.db2.gz VHYCPYAJZVMXGV-IKGGRYGDSA-N 0 0 437.496 1.864 50 0 biogenic IDAARN O=C1CC[C@H](CSc2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cn2)N1 ZINC000253418744 569266666 /nfs/dbraw/zinc/26/66/66/569266666.db2.gz QKCVCYZAZVFSLY-GOSISDBHSA-N 0 0 446.598 1.959 50 0 IDAARN COc1ccccc1[C@@H](CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)N1CCCC1 ZINC000253427632 569267485 /nfs/dbraw/zinc/26/74/85/569267485.db2.gz GIMCDWLYYGITRR-FUHWJXTLSA-N 0 0 430.592 1.576 50 0 IDAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCC(C(N)=O)CC1 ZINC000002293756 569268162 /nfs/dbraw/zinc/26/81/62/569268162.db2.gz BXXLIGFDFOQJBU-UHFFFAOYSA-N 0 0 437.294 1.853 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccc(O)cc1 ZINC000253535364 569284152 /nfs/dbraw/zinc/28/41/52/569284152.db2.gz VKTPGGFNZBXCNL-QGZVFWFLSA-N 0 0 425.441 1.885 50 0 IDAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2cc3ccc(OC)cc3n(C)c2=O)C1=O ZINC000253623647 569284433 /nfs/dbraw/zinc/28/44/33/569284433.db2.gz CYKCKLIQBBSMDT-LBPRGKRZSA-N 0 0 427.413 1.147 50 0 biogenic IDAARN COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)C1C(=O)NC=C(C(=O)OC)C1=O ZINC000253623856 569284536 /nfs/dbraw/zinc/28/45/36/569284536.db2.gz RENMZYQKRWKRLP-CYBMUJFWSA-N 0 0 442.424 1.835 50 0 biogenic IDAARN COc1ccc(-c2nc3s/c(=C\c4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1OC ZINC000002392750 569297970 /nfs/dbraw/zinc/29/79/70/569297970.db2.gz OOGLLJPFQMTWJP-MFOYZWKCSA-N 0 0 438.465 1.247 50 0 IDAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)NCc1cccn1C ZINC000225409549 569297983 /nfs/dbraw/zinc/29/79/83/569297983.db2.gz SRCKMQOXVIGDOG-WWMYMODYSA-N 0 0 425.533 1.657 50 0 biogenic IDAARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225406640 569297985 /nfs/dbraw/zinc/29/79/85/569297985.db2.gz LATKKCRUUKXPIC-CVEARBPZSA-N 0 0 440.525 1.820 50 0 biogenic IDAARN O=C(CSc1nnnn1C1CC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000009913975 569298382 /nfs/dbraw/zinc/29/83/82/569298382.db2.gz KZWYJJYIMOEBNZ-MDWZMJQESA-N 0 0 434.547 1.245 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225412668 569299187 /nfs/dbraw/zinc/29/91/87/569299187.db2.gz NLGHURMCHHOXBA-RYRKJORJSA-N 0 0 438.459 1.444 50 0 biogenic IDAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000011903927 569303329 /nfs/dbraw/zinc/30/33/29/569303329.db2.gz JSSAHHDQHCYFMS-UHFFFAOYSA-N 0 0 433.511 1.755 50 0 IDAARN COC(=O)[C@@H](CCSC)NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012950276 569305028 /nfs/dbraw/zinc/30/50/28/569305028.db2.gz ZOLRMWMKSGPSRS-GFCCVEGCSA-N 0 0 428.454 1.395 50 0 IDAARN COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000013031490 569307462 /nfs/dbraw/zinc/30/74/62/569307462.db2.gz CIKINJPSXMCAHI-UHFFFAOYSA-N 0 0 425.457 1.918 50 0 IDAARN COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000013031328 569307490 /nfs/dbraw/zinc/30/74/90/569307490.db2.gz IAVHGZYYVUKMSX-UHFFFAOYSA-N 0 0 433.530 1.957 50 0 IDAARN CCc1ccccc1OCC(=O)N(CCCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013039276 569307831 /nfs/dbraw/zinc/30/78/31/569307831.db2.gz BZDGIOBTAQKKIF-UHFFFAOYSA-N 0 0 432.521 1.786 50 0 IDAARN CCCCn1c(N)c(N(CCC)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(=O)[nH]c1=O ZINC000013073335 569309092 /nfs/dbraw/zinc/30/90/92/569309092.db2.gz FHDBCSNTBQHLHI-HUUCEWRRSA-N 0 0 447.536 1.227 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013117663 569310998 /nfs/dbraw/zinc/31/09/98/569310998.db2.gz GZCNFGHELFXSNE-UHFFFAOYSA-N 0 0 449.467 1.495 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N[C@H]1C ZINC000013165092 569312499 /nfs/dbraw/zinc/31/24/99/569312499.db2.gz OZLMLFXUOHZEDE-HNNXBMFYSA-N 0 0 443.500 1.909 50 0 IDAARN COc1nc2ccccc2nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000013362992 569314149 /nfs/dbraw/zinc/31/41/49/569314149.db2.gz SPRKJYLQUWMSCZ-UHFFFAOYSA-N 0 0 432.527 1.737 50 0 IDAARN CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)o1 ZINC000002457014 569314372 /nfs/dbraw/zinc/31/43/72/569314372.db2.gz ZSFDUIBEVPCLQN-VXGBXAGGSA-N 0 0 426.520 1.983 50 0 IDAARN COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000013371672 569315064 /nfs/dbraw/zinc/31/50/64/569315064.db2.gz XPQWUHBTLWTBLC-OALUTQOASA-N 0 0 425.528 1.433 50 0 IDAARN COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 ZINC000013371862 569315109 /nfs/dbraw/zinc/31/51/09/569315109.db2.gz SKRJLEZOUDTSLB-ICSRJNTNSA-N 0 0 441.546 1.914 50 0 IDAARN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000328592222 569317174 /nfs/dbraw/zinc/31/71/74/569317174.db2.gz RNCFDNGAMDSHGE-UHFFFAOYSA-N 0 0 425.511 1.466 50 0 IDAARN O=C(CN1CC(=O)Nc2ccccc21)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000078808713 569319120 /nfs/dbraw/zinc/31/91/20/569319120.db2.gz KYNDXWVQWWJKBM-UHFFFAOYSA-N 0 0 426.448 1.476 50 0 IDAARN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](CCO)c1ccccc1 ZINC000078950394 569320454 /nfs/dbraw/zinc/32/04/54/569320454.db2.gz CSTZRFODDBYJMV-OAQYLSRUSA-N 0 0 447.557 1.702 50 0 IDAARN CCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2I)CC1 ZINC000019538526 569321226 /nfs/dbraw/zinc/32/12/26/569321226.db2.gz KBLZKCUFHGZLIS-UHFFFAOYSA-N 0 0 444.317 1.374 50 0 IDAARN NC(=O)COC1CN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)C1 ZINC000078998784 569321717 /nfs/dbraw/zinc/32/17/17/569321717.db2.gz AUBXWJQCKJZEKC-UHFFFAOYSA-N 0 0 439.541 1.881 50 0 IDAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)C(C)C)cc1 ZINC000079016156 569322111 /nfs/dbraw/zinc/32/21/11/569322111.db2.gz HVSCCXLPZWQVBW-GIMINZRKSA-N 0 0 430.505 1.286 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCn3nc(C)nc3C2)c(Br)c1 ZINC000079023907 569322608 /nfs/dbraw/zinc/32/26/08/569322608.db2.gz AENVQONJMIJIOI-UHFFFAOYSA-N 0 0 429.296 1.730 50 0 IDAARN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)C[C@@H]1C(=O)NC[C@@H](c1ccco1)N(C)C)c1ccco1 ZINC000079067408 569324401 /nfs/dbraw/zinc/32/44/01/569324401.db2.gz BUESQAGEPDYOBN-QGFMHUBQSA-N 0 0 444.532 1.606 50 0 IDAARN CCN(C(=O)CNC1(C(=O)OC)CCS(=O)(=O)CC1)c1nc2ccccc2s1 ZINC000079109434 569326072 /nfs/dbraw/zinc/32/60/72/569326072.db2.gz XIMDFUPLOHDTEB-UHFFFAOYSA-N 0 0 425.532 1.359 50 0 IDAARN O=C(Cn1cc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2Cl)cn1)NC1CCCC1 ZINC000079111355 569326140 /nfs/dbraw/zinc/32/61/40/569326140.db2.gz NRWNROSQYUUVQE-QGZVFWFLSA-N 0 0 433.896 1.384 50 0 IDAARN O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(c2ccc(F)cc2)CC1 ZINC000019796916 569329549 /nfs/dbraw/zinc/32/95/49/569329549.db2.gz SDSNYLXTHJSGKV-PMACEKPBSA-N 0 0 438.546 1.587 50 0 IDAARN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)C1=O ZINC000019797397 569329660 /nfs/dbraw/zinc/32/96/60/569329660.db2.gz JHEOFXARBMUMNS-QGZVFWFLSA-N 0 0 427.526 1.957 50 0 IDAARN O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000019819018 569329947 /nfs/dbraw/zinc/32/99/47/569329947.db2.gz JGIIIXSBYLJYHC-QGZVFWFLSA-N 0 0 433.486 1.149 50 0 IDAARN COc1ccccc1[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000019819970 569330010 /nfs/dbraw/zinc/33/00/10/569330010.db2.gz GCLPGWSNGVEGRJ-SFHVURJKSA-N 0 0 434.514 1.818 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)cc1 ZINC000019850627 569330483 /nfs/dbraw/zinc/33/04/83/569330483.db2.gz JMBVFSVKCLLXLC-UHFFFAOYSA-N 0 0 432.527 1.915 50 0 IDAARN O=C(CNC(=O)c1ccccc1)N1CCC[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000079488525 569331125 /nfs/dbraw/zinc/33/11/25/569331125.db2.gz HGUOPZQUHFUFBC-NMMYMHLASA-N 0 0 427.545 1.809 50 0 IDAARN CN1c2ccccc2N(C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)S1(=O)=O ZINC000390828595 569354089 /nfs/dbraw/zinc/35/40/89/569354089.db2.gz BJKKOZQBUVNKFI-UHFFFAOYSA-N 0 0 449.554 1.976 50 0 IDAARN CCSc1nnc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000020234822 569357244 /nfs/dbraw/zinc/35/72/44/569357244.db2.gz DUORIAZPFGRXNV-UHFFFAOYSA-N 0 0 441.560 1.842 50 0 IDAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CCCC3=O)c(C)o2)cc1 ZINC000020241914 569358159 /nfs/dbraw/zinc/35/81/59/569358159.db2.gz LZJCYMPZYPWWQA-UHFFFAOYSA-N 0 0 449.529 1.702 50 0 IDAARN CCC1(CC)NC(=O)N(CC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000095348632 569361548 /nfs/dbraw/zinc/36/15/48/569361548.db2.gz WJZJSDLOEFQLJV-QGZVFWFLSA-N 0 0 449.939 1.121 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)n(C)c1 ZINC000095348786 569361673 /nfs/dbraw/zinc/36/16/73/569361673.db2.gz TXMYEACBJCOTBC-LJQANCHMSA-N 0 0 433.530 1.796 50 0 IDAARN COC(=O)c1cnc(N(C)Cc2cc(C)ccc2OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000095353022 569362188 /nfs/dbraw/zinc/36/21/88/569362188.db2.gz XJDGSDLTMAHKIR-UHFFFAOYSA-N 0 0 449.529 1.843 50 0 IDAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)C(C)C)cc1 ZINC000095402691 569363943 /nfs/dbraw/zinc/36/39/43/569363943.db2.gz CSDZVDZRMVRDJE-BEFAXECRSA-N 0 0 427.505 1.678 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@H]3CC(=O)Nc4ccccc43)n2)CC1 ZINC000095405850 569364653 /nfs/dbraw/zinc/36/46/53/569364653.db2.gz IZZBRCFFPNNIIS-AWEZNQCLSA-N 0 0 441.492 1.926 50 0 IDAARN CCn1nnnc1-c1cccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000095421571 569365709 /nfs/dbraw/zinc/36/57/09/569365709.db2.gz BISVUFRCDXTLKB-UHFFFAOYSA-N 0 0 434.504 1.823 50 0 IDAARN CC1CCN(c2nnc(SCCN3CCCS3(=O)=O)n2C[C@@H]2CCCO2)CC1 ZINC000095430753 569366198 /nfs/dbraw/zinc/36/61/98/569366198.db2.gz XZHHQGKMOTXNSJ-INIZCTEOSA-N 0 0 429.612 1.821 50 0 IDAARN Cn1nc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1Br ZINC000095448232 569367661 /nfs/dbraw/zinc/36/76/61/569367661.db2.gz YCTFQWKJDWULEM-GFCCVEGCSA-N 0 0 443.323 1.892 50 0 IDAARN Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC(=O)OCC2CC2)c1C ZINC000095451508 569367893 /nfs/dbraw/zinc/36/78/93/569367893.db2.gz BAPZMOXGMVRTOK-ROUUACIJSA-N 0 0 438.546 1.114 50 0 IDAARN CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC)cc2)cc1F ZINC000095452571 569368053 /nfs/dbraw/zinc/36/80/53/569368053.db2.gz IUFGRJCXQGVYGR-UHFFFAOYSA-N 0 0 443.522 1.768 50 0 IDAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cccnc1I ZINC000095456788 569368930 /nfs/dbraw/zinc/36/89/30/569368930.db2.gz PZNBVPHTFFDQTB-UHFFFAOYSA-N 0 0 445.282 1.867 50 0 IDAARN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)s1 ZINC000095457531 569369093 /nfs/dbraw/zinc/36/90/93/569369093.db2.gz DAPVLEQZKSIOQN-OAHLLOKOSA-N 0 0 427.592 1.885 50 0 IDAARN O=C(CN1CCN(C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)N1CCOCC1 ZINC000095461141 569369783 /nfs/dbraw/zinc/36/97/83/569369783.db2.gz FIJHDBJRJRWSLP-UHFFFAOYSA-N 0 0 436.512 1.295 50 0 IDAARN C[S@](=O)C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1 ZINC000095461434 569369832 /nfs/dbraw/zinc/36/98/32/569369832.db2.gz 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O=C(NCCN1CCOCC1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000095478034 569373400 /nfs/dbraw/zinc/37/34/00/569373400.db2.gz XKGFODKDPVMJSW-GFCCVEGCSA-N 0 0 436.310 1.127 50 0 IDAARN Cc1cc(NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000095478704 569373467 /nfs/dbraw/zinc/37/34/67/569373467.db2.gz MSIKRRUCNPSILH-AWEZNQCLSA-N 0 0 433.465 1.347 50 0 IDAARN CN(CCNC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccccc1 ZINC000095482171 569374317 /nfs/dbraw/zinc/37/43/17/569374317.db2.gz SVBLWOINZOJREN-UHFFFAOYSA-N 0 0 430.574 1.630 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)C1=O ZINC000095939094 569375287 /nfs/dbraw/zinc/37/52/87/569375287.db2.gz ALTHSYRTOYICKZ-JOCHJYFZSA-N 0 0 431.408 1.641 50 0 IDAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(Cl)c1O ZINC000095946603 569376289 /nfs/dbraw/zinc/37/62/89/569376289.db2.gz HFTGQBHXJJCLPR-UHFFFAOYSA-N 0 0 429.882 1.806 50 0 IDAARN CC(C)(CNC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NS(C)(=O)=O ZINC000095955957 569376812 /nfs/dbraw/zinc/37/68/12/569376812.db2.gz VSKOFHRFWCOURK-HNNXBMFYSA-N 0 0 439.481 1.880 50 0 IDAARN COC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)O1 ZINC000095965896 569377267 /nfs/dbraw/zinc/37/72/67/569377267.db2.gz OSERSORAUJESFA-BPQIPLTHSA-N 0 0 426.535 1.477 50 0 IDAARN Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000095980147 569377964 /nfs/dbraw/zinc/37/79/64/569377964.db2.gz NYURJCPDFONSEQ-CYBMUJFWSA-N 0 0 426.882 1.773 50 0 IDAARN CC(=O)NCCOCC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000095992960 569378259 /nfs/dbraw/zinc/37/82/59/569378259.db2.gz QZGLOJQIMFMZPY-UHFFFAOYSA-N 0 0 439.578 1.214 50 0 IDAARN Cc1nc(C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000095992255 569378277 /nfs/dbraw/zinc/37/82/77/569378277.db2.gz UKBOPSXCDLFAQF-JRKQCGKRSA-N 0 0 429.403 1.764 50 0 IDAARN COC(=O)Cn1ncc2c1ncnc2N1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000096005730 569379371 /nfs/dbraw/zinc/37/93/71/569379371.db2.gz 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O=C(NCCn1ccnc1-c1ncccn1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000096103904 569382179 /nfs/dbraw/zinc/38/21/79/569382179.db2.gz GRDXATPMJDSSJH-UHFFFAOYSA-N 0 0 440.529 1.945 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 ZINC000096105261 569382252 /nfs/dbraw/zinc/38/22/52/569382252.db2.gz SIXZGANYDMOFOE-CYBMUJFWSA-N 0 0 442.505 1.475 50 0 IDAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)NCCn2c3ccccc3[nH]c(=O)c2=O)cc1 ZINC000096117124 569383943 /nfs/dbraw/zinc/38/39/43/569383943.db2.gz HEFDLRNVMWCBAJ-UHFFFAOYSA-N 0 0 433.468 1.756 50 0 IDAARN CCn1c(=O)n(CCOC)nc1C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000096119164 569384715 /nfs/dbraw/zinc/38/47/15/569384715.db2.gz ROHMYOHKQZPDRT-UHFFFAOYSA-N 0 0 434.971 1.994 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)CC1 ZINC000096121508 569384994 /nfs/dbraw/zinc/38/49/94/569384994.db2.gz OSWREWGRRJVDRT-UHFFFAOYSA-N 0 0 431.562 1.612 50 0 IDAARN Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000096120931 569385080 /nfs/dbraw/zinc/38/50/80/569385080.db2.gz SEQCMQWLDLHOCF-UHFFFAOYSA-N 0 0 432.424 1.999 50 0 IDAARN O=C(NCc1ccnc(N2CCCC2)c1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096124026 569385328 /nfs/dbraw/zinc/38/53/28/569385328.db2.gz WKFZLVJRXLWAKE-GOSISDBHSA-N 0 0 433.520 1.585 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN(c3ccc(-n4cncn4)nn3)C1)CC2 ZINC000096124131 569385431 /nfs/dbraw/zinc/38/54/31/569385431.db2.gz VPOPIJVQGOBNJM-KRWDZBQOSA-N 0 0 449.515 1.876 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)CC1 ZINC000096124150 569385519 /nfs/dbraw/zinc/38/55/19/569385519.db2.gz YLWRZFNQEPCKKK-OAHLLOKOSA-N 0 0 428.497 1.011 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)CC2=O)cc1C ZINC000096124252 569385538 /nfs/dbraw/zinc/38/55/38/569385538.db2.gz PPMCNTRAYGXDJI-SFHVURJKSA-N 0 0 446.515 1.376 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NCCc3ccncc3)C2=O)cc1OC ZINC000096125588 569385745 /nfs/dbraw/zinc/38/57/45/569385745.db2.gz QBEWCVBNXBWHGA-SFHVURJKSA-N 0 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O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1ccc(I)cc1 ZINC000096319108 569393907 /nfs/dbraw/zinc/39/39/07/569393907.db2.gz LBJICONUCQKHJF-UHFFFAOYSA-N 0 0 442.301 1.126 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1C ZINC000096323349 569395262 /nfs/dbraw/zinc/39/52/62/569395262.db2.gz YQZIQMHHWJCCPG-UHFFFAOYSA-N 0 0 436.534 1.684 50 0 IDAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000096324903 569396086 /nfs/dbraw/zinc/39/60/86/569396086.db2.gz WPWORELEXVJANS-GOSISDBHSA-N 0 0 444.495 1.809 50 0 IDAARN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324946 569396134 /nfs/dbraw/zinc/39/61/34/569396134.db2.gz BTIMGVBBMIDMRJ-MRXNPFEDSA-N 0 0 432.484 1.575 50 0 IDAARN CCOC(=O)/C=C\c1ccc(NC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000096405169 569400612 /nfs/dbraw/zinc/40/06/12/569400612.db2.gz AKHQUNYJMJRQEA-YHYXMXQVSA-N 0 0 429.498 1.912 50 0 IDAARN COCCN1CC[C@H](N2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O ZINC000097077882 569402981 /nfs/dbraw/zinc/40/29/81/569402981.db2.gz ZTHXORQIGJZEJH-NRFANRHFSA-N 0 0 435.590 1.509 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C)CC(=O)c2ccco2)cc1C ZINC000097165166 569403414 /nfs/dbraw/zinc/40/34/14/569403414.db2.gz UQTQLXYRUUOKNF-NVXWUHKLSA-N 0 0 449.529 1.587 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(F)cc2)cc1 ZINC000055408415 569404758 /nfs/dbraw/zinc/40/47/58/569404758.db2.gz YQKDXCYURNGJAD-OALUTQOASA-N 0 0 440.518 1.513 50 0 IDAARN Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1ccc(OCC(N)=O)cc1 ZINC000225584324 569404971 /nfs/dbraw/zinc/40/49/71/569404971.db2.gz SNABIABZRNEIJD-UHFFFAOYSA-N 0 0 429.502 1.269 50 0 IDAARN O=C1CCCN1Cc1cn(C2CN(S(=O)(=O)c3ccc(Br)s3)C2)nn1 ZINC000225633671 569406208 /nfs/dbraw/zinc/40/62/08/569406208.db2.gz ILUXQXPLUCZBEY-UHFFFAOYSA-N 0 0 446.352 1.470 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c1 ZINC000225662094 569406481 /nfs/dbraw/zinc/40/64/81/569406481.db2.gz FSFGLCYZJBWBIS-UHFFFAOYSA-N 0 0 425.514 1.924 50 0 IDAARN COc1cc(OC)cc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1 ZINC000028050914 569406671 /nfs/dbraw/zinc/40/66/71/569406671.db2.gz SQYPKMUEQKHOLC-QTDDQOEGSA-N 0 0 448.475 1.942 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)CC2=O)cc1 ZINC000028508792 569410165 /nfs/dbraw/zinc/41/01/65/569410165.db2.gz SXJKBRAXHAEQJA-ZDUSSCGKSA-N 0 0 437.543 1.676 50 0 IDAARN COc1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000002641308 569413799 /nfs/dbraw/zinc/41/37/99/569413799.db2.gz JFDRIDDQYRCOAI-UHFFFAOYSA-N 0 0 440.543 1.237 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 ZINC000002652344 569414960 /nfs/dbraw/zinc/41/49/60/569414960.db2.gz VBLWJXSUWPQGEO-UHFFFAOYSA-N 0 0 447.538 1.778 50 0 IDAARN CCn1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C(=O)NC)n1 ZINC000002802261 569422410 /nfs/dbraw/zinc/42/24/10/569422410.db2.gz SNJJSWXFFBPYDX-ZDUSSCGKSA-N 0 0 437.497 1.441 50 0 IDAARN CCn1ncc(Br)c1C(=O)Nc1cnn(CC)c1C(=O)N1CCOCC1 ZINC000002806479 569422721 /nfs/dbraw/zinc/42/27/21/569422721.db2.gz ORNNTEACJJQNGE-UHFFFAOYSA-N 0 0 425.287 1.607 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)ccc1-n1cnnn1 ZINC000002908083 569424631 /nfs/dbraw/zinc/42/46/31/569424631.db2.gz CKGLWOBJOGTQMP-UHFFFAOYSA-N 0 0 439.501 1.640 50 0 IDAARN CCCNC(=O)Cn1cnc2sc(C(=O)N3CCC(C(=O)OCC)CC3)c(C)c2c1=O ZINC000002937441 569426232 /nfs/dbraw/zinc/42/62/32/569426232.db2.gz KOVFWUDCHMECKS-UHFFFAOYSA-N 0 0 448.545 1.708 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000056907942 569427644 /nfs/dbraw/zinc/42/76/44/569427644.db2.gz SVFJSFURWZXFBK-KRWDZBQOSA-N 0 0 446.529 1.551 50 0 IDAARN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(OC)c1 ZINC000029149512 569427694 /nfs/dbraw/zinc/42/76/94/569427694.db2.gz CEPMRGSIEMPWEB-UHFFFAOYSA-N 0 0 426.516 1.716 50 0 IDAARN COC(=O)c1ccc(CN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cc1 ZINC000056938974 569427775 /nfs/dbraw/zinc/42/77/75/569427775.db2.gz WTGLIJWZUISCKR-FQEVSTJZSA-N 0 0 446.573 1.968 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2nccs2)CC1 ZINC000056938879 569427778 /nfs/dbraw/zinc/42/77/78/569427778.db2.gz NWHDXYSDOZLPEV-OAHLLOKOSA-N 0 0 438.579 1.077 50 0 IDAARN COCCCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945563 569427996 /nfs/dbraw/zinc/42/79/96/569427996.db2.gz GBHGYESPTACPNY-IBGZPJMESA-N 0 0 432.496 1.551 50 0 IDAARN O=C(NCc1ccccn1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000056945241 569428035 /nfs/dbraw/zinc/42/80/35/569428035.db2.gz PWDYNAAHJYWPBZ-OAQYLSRUSA-N 0 0 433.512 1.971 50 0 IDAARN O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)N1CCOCC1 ZINC000056949783 569428288 /nfs/dbraw/zinc/42/82/88/569428288.db2.gz RJMWFJSNJCWPEH-UHFFFAOYSA-N 0 0 431.464 1.339 50 0 IDAARN COCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952879 569428659 /nfs/dbraw/zinc/42/86/59/569428659.db2.gz GBUWGNGQROFXEE-UHFFFAOYSA-N 0 0 432.912 1.045 50 0 IDAARN COc1ccc(N2C(=O)CN(CCc3cccc(OC)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000056998080 569428958 /nfs/dbraw/zinc/42/89/58/569428958.db2.gz OLOJIFBFXVFXQT-SFTDATJTSA-N 0 0 430.526 1.761 50 0 IDAARN COc1ccc(CCN2CC(=O)N(c3cccc(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000057179743 569429933 /nfs/dbraw/zinc/42/99/33/569429933.db2.gz CULXIHMKODXMBC-LEWJYISDSA-N 0 0 430.526 1.761 50 0 IDAARN COCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 ZINC000227116532 569431564 /nfs/dbraw/zinc/43/15/64/569431564.db2.gz GRTBMZPUUYPGRP-UHFFFAOYSA-N 0 0 441.369 1.040 50 0 IDAARN Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)n(CC(N)=O)c2c(=O)[nH]c1=O ZINC000057392153 569433365 /nfs/dbraw/zinc/43/33/65/569433365.db2.gz RFHCCALADKNFIN-UHFFFAOYSA-N 0 0 432.484 1.111 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000057414425 569433942 /nfs/dbraw/zinc/43/39/42/569433942.db2.gz ILAVEXMLXLMEKK-IBGZPJMESA-N 0 0 440.479 1.609 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415115 569434093 /nfs/dbraw/zinc/43/40/93/569434093.db2.gz DBHKZARGZGJIQC-SFHVURJKSA-N 0 0 442.907 1.733 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)c(OC)c1 ZINC000230276702 569440672 /nfs/dbraw/zinc/44/06/72/569440672.db2.gz VGECYQHBVBLCSV-IXDOHACOSA-N 0 0 437.496 1.864 50 0 biogenic IDAARN Nn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000003263245 569443287 /nfs/dbraw/zinc/44/32/87/569443287.db2.gz UFTMXGRSSQXILA-UHFFFAOYSA-N 0 0 446.920 1.982 50 0 IDAARN O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003313217 569445564 /nfs/dbraw/zinc/44/55/64/569445564.db2.gz LLCPPRPTLOYUCO-UHFFFAOYSA-N 0 0 449.872 1.497 50 0 IDAARN Nc1nc(O)c(CC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)s1 ZINC000003331532 569446510 /nfs/dbraw/zinc/44/65/10/569446510.db2.gz WDUQXKHBFMQLDC-INIZCTEOSA-N 0 0 426.454 1.995 50 0 IDAARN CCOC(=O)C[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)c1cccc(OC)c1 ZINC000058133073 569448369 /nfs/dbraw/zinc/44/83/69/569448369.db2.gz JNNLYEJBIYVSGG-QGZVFWFLSA-N 0 0 443.522 1.298 50 0 IDAARN C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003414547 569450192 /nfs/dbraw/zinc/45/01/92/569450192.db2.gz KXHGSUGAWDBHEL-OAHLLOKOSA-N 0 0 447.513 1.918 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1 ZINC000003431460 569450865 /nfs/dbraw/zinc/45/08/65/569450865.db2.gz OBOFHVBPBPBPLA-LBPRGKRZSA-N 0 0 437.449 1.633 50 0 IDAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000003466694 569452021 /nfs/dbraw/zinc/45/20/21/569452021.db2.gz KDHVGRHVWHTZCI-UHFFFAOYSA-N 0 0 435.436 1.245 50 0 IDAARN Cc1cc(C)n2nc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)nc2n1 ZINC000003542256 569453614 /nfs/dbraw/zinc/45/36/14/569453614.db2.gz NEEQUHVAIWDNES-UHFFFAOYSA-N 0 0 429.234 1.869 50 0 IDAARN COCC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000031138604 569453915 /nfs/dbraw/zinc/45/39/15/569453915.db2.gz ZDPICLKFPXDGNJ-UHFFFAOYSA-N 0 0 433.486 1.545 50 0 IDAARN Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000003557219 569453968 /nfs/dbraw/zinc/45/39/68/569453968.db2.gz IZAYBZIVVVLHNA-UHFFFAOYSA-N 0 0 432.498 1.678 50 0 IDAARN COC(=O)C[C@H](NC(=O)c1nn(C)c(=O)c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000031494506 569456529 /nfs/dbraw/zinc/45/65/29/569456529.db2.gz LULKZMNVJYXXRK-INIZCTEOSA-N 0 0 425.441 1.985 50 0 IDAARN O=C1c2ccccc2C(=O)N1CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000031531195 569456657 /nfs/dbraw/zinc/45/66/57/569456657.db2.gz CZIXNOGSWZETLI-UHFFFAOYSA-N 0 0 433.917 1.943 50 0 IDAARN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000031718205 569457023 /nfs/dbraw/zinc/45/70/23/569457023.db2.gz TZGGPWQDFAJCGU-UHFFFAOYSA-N 0 0 425.470 1.466 50 0 IDAARN C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C[C@H](C)O1 ZINC000031713660 569457036 /nfs/dbraw/zinc/45/70/36/569457036.db2.gz HXWRUWNZHLKBOQ-IYBDPMFKSA-N 0 0 449.573 1.615 50 0 IDAARN O=S(=O)(NCCc1ccccc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772812 569457227 /nfs/dbraw/zinc/45/72/27/569457227.db2.gz SBSJKOWVVUZRMR-SFHVURJKSA-N 0 0 443.568 1.168 50 0 IDAARN O=S(=O)(NCc1ccccc1F)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772776 569457249 /nfs/dbraw/zinc/45/72/49/569457249.db2.gz LINRPEHGBSRLNF-MRXNPFEDSA-N 0 0 447.531 1.265 50 0 IDAARN COC(=O)c1cn(-c2ccc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cc2)nn1 ZINC000031779971 569457362 /nfs/dbraw/zinc/45/73/62/569457362.db2.gz CEUILGRTBHEJJQ-UHFFFAOYSA-N 0 0 433.424 1.955 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccccn2)CC1 ZINC000031810018 569457691 /nfs/dbraw/zinc/45/76/91/569457691.db2.gz RFIYDWSOTCBYNJ-QGZVFWFLSA-N 0 0 439.491 1.429 50 0 IDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)c(F)c1F)C(=O)OC ZINC000031812192 569457846 /nfs/dbraw/zinc/45/78/46/569457846.db2.gz MWVQTIUVCSEGKD-SJCJKPOMSA-N 0 0 440.378 1.589 50 0 IDAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000032091729 569459622 /nfs/dbraw/zinc/45/96/22/569459622.db2.gz LGYCCHKDXTXMJL-GXTWGEPZSA-N 0 0 432.527 1.509 50 0 IDAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000032101180 569460089 /nfs/dbraw/zinc/46/00/89/569460089.db2.gz XNBMHFVRCLPIQP-MRXNPFEDSA-N 0 0 437.905 1.867 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)c1 ZINC000032103041 569460215 /nfs/dbraw/zinc/46/02/15/569460215.db2.gz ZEGXHPVCQSBJGC-GOSISDBHSA-N 0 0 430.486 1.163 50 0 IDAARN COC(=O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 ZINC000059283304 569460768 /nfs/dbraw/zinc/46/07/68/569460768.db2.gz OSEPBYDIGCAOKG-IBGZPJMESA-N 0 0 437.496 1.548 50 0 IDAARN O=C(Nc1ccc(F)cc1Br)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000059304929 569460829 /nfs/dbraw/zinc/46/08/29/569460829.db2.gz CKGXFBKFTCIBDN-JTQLQIEISA-N 0 0 432.271 1.692 50 0 IDAARN CC1(C)NC(=O)N(C[C@H](O)COc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)C1=O ZINC000004199463 569460898 /nfs/dbraw/zinc/46/08/98/569460898.db2.gz HJIBHMRTIMQCCM-XIRDDKMYSA-N 0 0 427.457 1.417 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000032443493 569461726 /nfs/dbraw/zinc/46/17/26/569461726.db2.gz ILCNFQZCNGCXRK-CYBMUJFWSA-N 0 0 425.429 1.632 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000038488422 569463050 /nfs/dbraw/zinc/46/30/50/569463050.db2.gz DZFNHHPTIVLVKH-QGZVFWFLSA-N 0 0 434.537 1.890 50 0 IDAARN CC(=O)Nc1ccc(CC(=O)Nc2c(N)[nH]c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000038490548 569463154 /nfs/dbraw/zinc/46/31/54/569463154.db2.gz LWPNUZKWWKOYIM-UHFFFAOYSA-N 0 0 425.420 1.446 50 0 IDAARN O=C(Cc1csc(NC(=O)c2ccsc2)n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000038575664 569464055 /nfs/dbraw/zinc/46/40/55/569464055.db2.gz CHLUKFPZNWPMFQ-HNNXBMFYSA-N 0 0 434.543 1.849 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 ZINC000038634529 569465016 /nfs/dbraw/zinc/46/50/16/569465016.db2.gz NZJCJLLPDPIXBV-UHFFFAOYSA-N 0 0 447.560 1.555 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)CC1 ZINC000067225944 569465207 /nfs/dbraw/zinc/46/52/07/569465207.db2.gz LTRCECZBMNXPHC-UHFFFAOYSA-N 0 0 440.573 1.744 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)NCCc4cccs4)c(=O)c3s2)CC1 ZINC000067239609 569465710 /nfs/dbraw/zinc/46/57/10/569465710.db2.gz FODZBTBDARIJGN-UHFFFAOYSA-N 0 0 432.575 1.415 50 0 IDAARN CCOc1ccc(-n2ccn(CC(=O)NCc3cccc(OC)c3OC)c(=O)c2=O)cc1 ZINC000067256098 569466058 /nfs/dbraw/zinc/46/60/58/569466058.db2.gz JFPSPGRBKWFRNQ-UHFFFAOYSA-N 0 0 439.468 1.732 50 0 IDAARN COc1ccccc1-n1ccn(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c1=O ZINC000067256423 569466099 /nfs/dbraw/zinc/46/60/99/569466099.db2.gz STFOPKSTAGGNLI-UHFFFAOYSA-N 0 0 438.459 1.496 50 0 IDAARN O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCN(c2ncccn2)CC1 ZINC000067262432 569466674 /nfs/dbraw/zinc/46/66/74/569466674.db2.gz LXADULVYWOJAQS-UHFFFAOYSA-N 0 0 447.474 1.831 50 0 IDAARN CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@@H](c3cccc(Cl)c3)NC(=O)N2)CC1 ZINC000067285591 569466952 /nfs/dbraw/zinc/46/69/52/569466952.db2.gz YQWBAWZGHKOKSE-QGZVFWFLSA-N 0 0 436.896 1.895 50 0 IDAARN CCOC(=O)N1CCN(CC2=NC(=O)N[C@H](c3ccc(OCC)cc3)C2C(=O)OC)CC1 ZINC000067287207 569467081 /nfs/dbraw/zinc/46/70/81/569467081.db2.gz QJONBMQRHZFGGN-LJQANCHMSA-N 0 0 446.504 1.640 50 0 IDAARN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000067287080 569467166 /nfs/dbraw/zinc/46/71/66/569467166.db2.gz DUDRMHVOXQKTRB-LJQANCHMSA-N 0 0 431.489 1.705 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287602 569467236 /nfs/dbraw/zinc/46/72/36/569467236.db2.gz BCGIJCQQRMZVCV-IBGZPJMESA-N 0 0 446.504 1.640 50 0 IDAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)N2CCOCC2)c(=O)c1CCO ZINC000067301429 569468312 /nfs/dbraw/zinc/46/83/12/569468312.db2.gz ARLVIXFSIXQJEI-UHFFFAOYSA-N 0 0 425.407 1.631 50 0 IDAARN O=C(CN1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1)N1CCCC1 ZINC000067335859 569468894 /nfs/dbraw/zinc/46/88/94/569468894.db2.gz HNESBRUGRGDQTJ-UHFFFAOYSA-N 0 0 428.518 1.171 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2sccc2NC(=O)c2cnccn2)cc1 ZINC000067335599 569468911 /nfs/dbraw/zinc/46/89/11/569468911.db2.gz KTKPXFARBLMKAY-UHFFFAOYSA-N 0 0 431.499 1.410 50 0 IDAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2C[C@H]2C)CC1 ZINC000067337980 569468925 /nfs/dbraw/zinc/46/89/25/569468925.db2.gz ADSYEVVOFQUBFX-SUUGVPPDSA-N 0 0 437.953 1.737 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)CC1 ZINC000008560330 569469044 /nfs/dbraw/zinc/46/90/44/569469044.db2.gz PDNNNWJQOJUFRV-UHFFFAOYSA-N 0 0 425.507 1.394 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 ZINC000038946943 569469647 /nfs/dbraw/zinc/46/96/47/569469647.db2.gz YMNQXSDHDGVFSY-VQTJNVASSA-N 0 0 435.455 1.896 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2cccc(Br)c2)C1=O ZINC000008705836 569470410 /nfs/dbraw/zinc/47/04/10/569470410.db2.gz DSBNDWAGOQBICG-LJQANCHMSA-N 0 0 445.273 1.677 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1OC ZINC000008707213 569470532 /nfs/dbraw/zinc/47/05/32/569470532.db2.gz DBWOAKIRRPQFJG-OAQYLSRUSA-N 0 0 426.429 1.208 50 0 IDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2C2CCCC2)C1=O ZINC000008718332 569471252 /nfs/dbraw/zinc/47/12/52/569471252.db2.gz OTDITPFIBWZSCY-FQEVSTJZSA-N 0 0 443.533 1.855 50 0 IDAARN O=C(Cn1nnc(COc2ccccc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000008718751 569471345 /nfs/dbraw/zinc/47/13/45/569471345.db2.gz RIDCEMMVNNTIMV-UHFFFAOYSA-N 0 0 433.472 1.759 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000008727629 569472340 /nfs/dbraw/zinc/47/23/40/569472340.db2.gz JNQUGJCFVHSOND-UHFFFAOYSA-N 0 0 436.534 1.198 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1N(C)S(C)(=O)=O ZINC000008754094 569473781 /nfs/dbraw/zinc/47/37/81/569473781.db2.gz GUTMKGHMFXAWJI-UHFFFAOYSA-N 0 0 431.580 1.380 50 0 IDAARN COCCn1c(=O)c2c(nc3n2cc(C)n3CCc2ccc(OC)c(OC)c2)n(C)c1=O ZINC000008762777 569474340 /nfs/dbraw/zinc/47/43/40/569474340.db2.gz FMSQREFHLLTDBG-UHFFFAOYSA-N 0 0 441.488 1.364 50 0 IDAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)N[C@H]1CS(=O)(=O)C[C@H]1O ZINC000008764459 569474593 /nfs/dbraw/zinc/47/45/93/569474593.db2.gz QYEJYNLGGVATQN-ZWKOTPCHSA-N 0 0 429.450 1.113 50 0 biogenic IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)OC(C)(C)CC3 ZINC000008764290 569474599 /nfs/dbraw/zinc/47/45/99/569474599.db2.gz CVATZHPMBPCGPH-HZPDHXFCSA-N 0 0 435.498 1.022 50 0 biogenic IDAARN CCOc1ccc(N(CC(=O)Nc2cc(C)[nH]n2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000008767691 569474948 /nfs/dbraw/zinc/47/49/48/569474948.db2.gz GTXBQMTZOXPQGX-HZPDHXFCSA-N 0 0 449.558 1.830 50 0 IDAARN Cc1ccc2c(c1)[C@@]1([NH2+][C@H](CCC(=O)[O-])[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000008790439 569476054 /nfs/dbraw/zinc/47/60/54/569476054.db2.gz BMRYPTQIJUYKGS-ZHBILRMLSA-N 0 0 447.491 1.823 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000008790766 569476104 /nfs/dbraw/zinc/47/61/04/569476104.db2.gz HRLBJLBAUIJCAE-XVIHEJCXSA-N 0 0 447.491 1.823 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000008790768 569476113 /nfs/dbraw/zinc/47/61/13/569476113.db2.gz HRLBJLBAUIJCAE-NRGSMNHXSA-N 0 0 447.491 1.823 50 0 biogenic IDAARN COc1ccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000008825464 569477399 /nfs/dbraw/zinc/47/73/99/569477399.db2.gz RIYACTWDUHPWAU-UHFFFAOYSA-N 0 0 447.513 1.663 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008843436 569478509 /nfs/dbraw/zinc/47/85/09/569478509.db2.gz CTRANMPOYHMYAR-WBNHJWIASA-N 0 0 426.473 1.671 50 0 IDAARN O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 ZINC000008848912 569479200 /nfs/dbraw/zinc/47/92/00/569479200.db2.gz MLTYAVDUGSECOW-UHFFFAOYSA-N 0 0 425.376 1.063 50 0 IDAARN O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)NC(=O)NCc1ccco1 ZINC000008861785 569480034 /nfs/dbraw/zinc/48/00/34/569480034.db2.gz FURYXCAKIJJJHE-UHFFFAOYSA-N 0 0 443.865 1.171 50 0 IDAARN CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3ccccc3-n3cnnn3)ccc21 ZINC000008877820 569481246 /nfs/dbraw/zinc/48/12/46/569481246.db2.gz FEBCAQVFFRKPTN-UHFFFAOYSA-N 0 0 441.469 1.414 50 0 IDAARN Nn1c(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F ZINC000008878888 569481320 /nfs/dbraw/zinc/48/13/20/569481320.db2.gz JDARESWBYCPPQA-SNVBAGLBSA-N 0 0 427.474 1.061 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C4CC4)n3C)CC2)c(C)c1 ZINC000008880265 569481414 /nfs/dbraw/zinc/48/14/14/569481414.db2.gz XNMKCWFEJAPGER-UHFFFAOYSA-N 0 0 449.602 1.935 50 0 IDAARN COC(=O)c1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC(C)=C2C(=O)OCC(C)C)cc1 ZINC000039888793 569481971 /nfs/dbraw/zinc/48/19/71/569481971.db2.gz IZPGSKPMBLFKMD-QGZVFWFLSA-N 0 0 441.484 1.901 50 0 IDAARN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cnn(-c4ccccc4)n3)c2)CC1 ZINC000039976081 569482162 /nfs/dbraw/zinc/48/21/62/569482162.db2.gz LSEVLDSKEUHDKZ-UHFFFAOYSA-N 0 0 440.529 1.846 50 0 IDAARN C[C@@H](NC(=O)COc1ccccc1)C(=O)O[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000039995762 569482377 /nfs/dbraw/zinc/48/23/77/569482377.db2.gz HLJMAHLIGVJHMB-MOPGFXCFSA-N 0 0 439.512 1.851 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000039996271 569482409 /nfs/dbraw/zinc/48/24/09/569482409.db2.gz CSWQRQHVYRARBX-QZTJIDSGSA-N 0 0 445.541 1.634 50 0 IDAARN NC(=O)CCN(C(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)c1ccccc1 ZINC000040012715 569482584 /nfs/dbraw/zinc/48/25/84/569482584.db2.gz UQALCXIQFUSDOZ-INIZCTEOSA-N 0 0 440.525 1.756 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000008900747 569484173 /nfs/dbraw/zinc/48/41/73/569484173.db2.gz RHNUZXPOJSNSCN-UHFFFAOYSA-N 0 0 447.513 1.492 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3cccc(F)c3)nc2n(C)c1=O ZINC000008902340 569484397 /nfs/dbraw/zinc/48/43/97/569484397.db2.gz ZMSIVNNGKIFHEU-UHFFFAOYSA-N 0 0 443.504 1.938 50 0 IDAARN COc1cc(OC)nc(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)n1 ZINC000040068601 569485146 /nfs/dbraw/zinc/48/51/46/569485146.db2.gz NTMWLTCQVCOMLW-FQEVSTJZSA-N 0 0 425.401 1.646 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)[C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000040086513 569486663 /nfs/dbraw/zinc/48/66/63/569486663.db2.gz SAXLEIFTTHSKPB-HRZDDSQGSA-N 0 0 426.517 2.000 50 0 IDAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000008936183 569488020 /nfs/dbraw/zinc/48/80/20/569488020.db2.gz KSKPRWUBPBLJBW-UHFFFAOYSA-N 0 0 425.489 1.748 50 0 IDAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000040104476 569488163 /nfs/dbraw/zinc/48/81/63/569488163.db2.gz ASQGMGPGVMPEQP-UHFFFAOYSA-N 0 0 439.538 1.029 50 0 IDAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000008942732 569488704 /nfs/dbraw/zinc/48/87/04/569488704.db2.gz ITPKRXOIVWMUSC-SFHVURJKSA-N 0 0 437.452 1.978 50 0 IDAARN COc1ccccc1C(=O)NCCn1ncc2c1nc(SC)nc2N1CCOCC1 ZINC000008947132 569489134 /nfs/dbraw/zinc/48/91/34/569489134.db2.gz TYVICGNDUFIJDP-UHFFFAOYSA-N 0 0 428.518 1.823 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)o1 ZINC000040116495 569489316 /nfs/dbraw/zinc/48/93/16/569489316.db2.gz KDECNLTUWXAADK-IBGZPJMESA-N 0 0 435.458 1.312 50 0 IDAARN Cn1cc(S(=O)(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c(=O)n(C)c1=O ZINC000040119647 569489446 /nfs/dbraw/zinc/48/94/46/569489446.db2.gz KJCIMVNOAGYLMM-INIZCTEOSA-N 0 0 433.461 1.322 50 0 IDAARN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000040129123 569489814 /nfs/dbraw/zinc/48/98/14/569489814.db2.gz LNTXFGJUOFJFMZ-GOSISDBHSA-N 0 0 432.481 1.793 50 0 IDAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])ccc12 ZINC000008952410 569490025 /nfs/dbraw/zinc/49/00/25/569490025.db2.gz FLMGBCAFMSXNQD-INIZCTEOSA-N 0 0 446.504 1.655 50 0 biogenic IDAARN O=C(NCCn1nc(-c2ccco2)ccc1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008954656 569490056 /nfs/dbraw/zinc/49/00/56/569490056.db2.gz PCDRKGFSBLJFMY-UHFFFAOYSA-N 0 0 442.497 1.718 50 0 IDAARN CCOc1ccc(NC(=O)c2ccc(=O)n(CCOC)c2)cc1S(=O)(=O)N1CCCC1 ZINC000040146569 569492261 /nfs/dbraw/zinc/49/22/61/569492261.db2.gz HKDVQBASECFPTB-UHFFFAOYSA-N 0 0 449.529 1.930 50 0 IDAARN Cc1ccnc(NC(=O)C2CCN(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)c1 ZINC000040149596 569492590 /nfs/dbraw/zinc/49/25/90/569492590.db2.gz AFPKGPGBCIVGTA-UHFFFAOYSA-N 0 0 442.520 1.326 50 0 IDAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccncc1 ZINC000008971026 569492659 /nfs/dbraw/zinc/49/26/59/569492659.db2.gz UTOOWVLLAXVFOA-KKSFZXQISA-N 0 0 438.484 1.620 50 0 IDAARN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000040150765 569493216 /nfs/dbraw/zinc/49/32/16/569493216.db2.gz LXIWESBHSZRMGY-KRWDZBQOSA-N 0 0 431.580 1.778 50 0 IDAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000040154126 569493670 /nfs/dbraw/zinc/49/36/70/569493670.db2.gz SXCVHFRHOGXAJN-MRXNPFEDSA-N 0 0 441.893 1.253 50 0 IDAARN C[C@@H]1CN(Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@@H](C)O1 ZINC000040154628 569493846 /nfs/dbraw/zinc/49/38/46/569493846.db2.gz ZNJDLEOFQANBAQ-HUUCEWRRSA-N 0 0 437.587 1.977 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)N[C@H](c2nccn2C)c2ccccc2F)CC1 ZINC000040155834 569494058 /nfs/dbraw/zinc/49/40/58/569494058.db2.gz GETKABDOPLFBQW-INIZCTEOSA-N 0 0 425.486 1.257 50 0 IDAARN Cc1cc(NC(=O)CCC(=O)N2CCc3sccc3C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000040156701 569494178 /nfs/dbraw/zinc/49/41/78/569494178.db2.gz BWGACEZHYVLQCI-HNNXBMFYSA-N 0 0 436.559 1.916 50 0 IDAARN Cc1ccc(-c2nnn(CC(=O)NCCNC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000040157288 569494258 /nfs/dbraw/zinc/49/42/58/569494258.db2.gz XDZPYRFWNCTKGA-UHFFFAOYSA-N 0 0 443.305 1.957 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@]3(C)CC(=O)N=C4C=CC=CN43)CC2)cc1 ZINC000040158150 569494516 /nfs/dbraw/zinc/49/45/16/569494516.db2.gz RRDKBUSETJBEBM-QFIPXVFZSA-N 0 0 442.541 1.691 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@]3(C)CC(=O)N=C4C=CC=CN43)CC2)cc1 ZINC000040158151 569494541 /nfs/dbraw/zinc/49/45/41/569494541.db2.gz RRDKBUSETJBEBM-JOCHJYFZSA-N 0 0 442.541 1.691 50 0 IDAARN Cn1nc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c2ccccc2c1=O ZINC000008988441 569494985 /nfs/dbraw/zinc/49/49/85/569494985.db2.gz XWBXUGWJBYXXJI-UHFFFAOYSA-N 0 0 440.481 1.136 50 0 IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCc1ccc2c(c1)OCO2 ZINC000008990638 569495024 /nfs/dbraw/zinc/49/50/24/569495024.db2.gz UJLZQNPGAMBWIV-HNNXBMFYSA-N 0 0 439.424 1.865 50 0 IDAARN O=C(NCCCN1CCCCCC1=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000040160164 569495092 /nfs/dbraw/zinc/49/50/92/569495092.db2.gz PMQZPLZORYEAML-UHFFFAOYSA-N 0 0 436.559 1.821 50 0 IDAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000040162045 569495172 /nfs/dbraw/zinc/49/51/72/569495172.db2.gz JFLXQAMVFHUYRZ-WMZOPIPTSA-N 0 0 426.517 1.967 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC ZINC000008992242 569495338 /nfs/dbraw/zinc/49/53/38/569495338.db2.gz UUDCCJVZDFGLKP-UHFFFAOYSA-N 0 0 441.484 1.474 50 0 IDAARN COc1ccc(C)cc1NC(=O)Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O ZINC000009001240 569495957 /nfs/dbraw/zinc/49/59/57/569495957.db2.gz BRGPTIULNZCASR-UHFFFAOYSA-N 0 0 431.452 1.957 50 0 IDAARN CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 ZINC000009001528 569496022 /nfs/dbraw/zinc/49/60/22/569496022.db2.gz FOOTUGGAJBROQT-UHFFFAOYSA-N 0 0 426.477 1.059 50 0 IDAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](O)c2ccc3c(c2)OCCO3)cc1 ZINC000244998723 569496939 /nfs/dbraw/zinc/49/69/39/569496939.db2.gz KQXGFDCPIQUGFJ-MRXNPFEDSA-N 0 0 432.454 1.123 50 0 IDAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 ZINC000245020790 569496961 /nfs/dbraw/zinc/49/69/61/569496961.db2.gz MHCDJDCTWVHRFL-OAHLLOKOSA-N 0 0 426.473 1.700 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000245039160 569497048 /nfs/dbraw/zinc/49/70/48/569497048.db2.gz OIMMMHOBHQVJNK-QZTJIDSGSA-N 0 0 437.562 1.340 50 0 IDAARN COc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 ZINC000009039902 569497510 /nfs/dbraw/zinc/49/75/10/569497510.db2.gz SKZMSDVSJKCYHT-UHFFFAOYSA-N 0 0 436.472 1.059 50 0 IDAARN COc1ccc2c(C)c(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1C ZINC000009042961 569497842 /nfs/dbraw/zinc/49/78/42/569497842.db2.gz ULNMWPXHUYYMAP-UHFFFAOYSA-N 0 0 430.482 1.925 50 0 IDAARN COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCS3(=O)=O)c(OC)c2)cc1 ZINC000040287819 569498285 /nfs/dbraw/zinc/49/82/85/569498285.db2.gz NLIGTSCNYATNAC-UHFFFAOYSA-N 0 0 447.513 1.889 50 0 IDAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000009048332 569498506 /nfs/dbraw/zinc/49/85/06/569498506.db2.gz OOXIDLCDIOGFCJ-GOSISDBHSA-N 0 0 432.498 1.206 50 0 IDAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC(N)=O ZINC000009050266 569498615 /nfs/dbraw/zinc/49/86/15/569498615.db2.gz VLPXDDSGAGMREQ-ZDUSSCGKSA-N 0 0 431.470 1.174 50 0 IDAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000009056468 569499031 /nfs/dbraw/zinc/49/90/31/569499031.db2.gz SDCWJHIPCBJVPQ-UHFFFAOYSA-N 0 0 430.515 1.506 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)N1CCC(c3nc4ccccc4s3)CC1)c(=O)n2C ZINC000009058201 569499223 /nfs/dbraw/zinc/49/92/23/569499223.db2.gz MOOFFTOKCKGEJY-UHFFFAOYSA-N 0 0 438.513 1.450 50 0 IDAARN COC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C ZINC000009059927 569499424 /nfs/dbraw/zinc/49/94/24/569499424.db2.gz NMKLPDIWJVCTLH-UHFFFAOYSA-N 0 0 448.842 1.106 50 0 IDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccncc1 ZINC000009061004 569499582 /nfs/dbraw/zinc/49/95/82/569499582.db2.gz QVJHBTMFVXHGLL-RDJZCZTQSA-N 0 0 448.520 1.443 50 0 IDAARN O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009061188 569499601 /nfs/dbraw/zinc/49/96/01/569499601.db2.gz KCPMKXWWYKUNKZ-GOSISDBHSA-N 0 0 442.541 1.926 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 ZINC000009068046 569500004 /nfs/dbraw/zinc/50/00/04/569500004.db2.gz TYAFFARJUFWYPD-KRWDZBQOSA-N 0 0 443.481 1.713 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000009068059 569500029 /nfs/dbraw/zinc/50/00/29/569500029.db2.gz RUVIYIUJIADGGH-QGZVFWFLSA-N 0 0 429.454 1.371 50 0 IDAARN COc1ccc([C@@H]2Nc3ncnn3[C@H](c3ccccc3)[C@H]2NC(=O)CN2CCOCC2)cc1 ZINC000245238879 569500520 /nfs/dbraw/zinc/50/05/20/569500520.db2.gz BYANXPFTIDLYTK-RJGXRXQPSA-N 0 0 448.527 1.860 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009089371 569500941 /nfs/dbraw/zinc/50/09/41/569500941.db2.gz CJZPAUFXEUMAKP-SFHVURJKSA-N 0 0 449.511 1.808 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000009092769 569501213 /nfs/dbraw/zinc/50/12/13/569501213.db2.gz OBBHENCHPIJDAW-HXUWFJFHSA-N 0 0 431.470 1.633 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccccc2F)c(=O)n([C@@H](C)c2ccccc2)c1=O ZINC000040402756 569501657 /nfs/dbraw/zinc/50/16/57/569501657.db2.gz ZHQJDIARKCDZGE-HNNXBMFYSA-N 0 0 426.448 1.909 50 0 IDAARN O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000009118727 569503362 /nfs/dbraw/zinc/50/33/62/569503362.db2.gz CUYWSNFMOFZYKN-KRWDZBQOSA-N 0 0 426.498 1.640 50 0 IDAARN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009119955 569503745 /nfs/dbraw/zinc/50/37/45/569503745.db2.gz OHXDDYWXBFYDSS-UHFFFAOYSA-N 0 0 443.481 1.813 50 0 IDAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)c(=O)[nH]c1=O ZINC000009125976 569504751 /nfs/dbraw/zinc/50/47/51/569504751.db2.gz YPASSYFLDXZCTG-QGZVFWFLSA-N 0 0 440.456 1.885 50 0 IDAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)c(=O)[nH]c1=O ZINC000009125975 569504760 /nfs/dbraw/zinc/50/47/60/569504760.db2.gz YPASSYFLDXZCTG-KRWDZBQOSA-N 0 0 440.456 1.885 50 0 IDAARN C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000009126564 569504984 /nfs/dbraw/zinc/50/49/84/569504984.db2.gz RARNTAAKGRGZKO-LLVKDONJSA-N 0 0 431.923 1.143 50 0 IDAARN C[C@H](OC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)NC(N)=O ZINC000009128080 569505346 /nfs/dbraw/zinc/50/53/46/569505346.db2.gz MOISFOHIXXWXFP-NSHDSACASA-N 0 0 445.453 1.886 50 0 IDAARN CCOc1ccc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1OCC ZINC000009130682 569506157 /nfs/dbraw/zinc/50/61/57/569506157.db2.gz MZOJSLGJIDFTNB-UHFFFAOYSA-N 0 0 441.532 1.601 50 0 IDAARN O=C(NCCCN1CCCCCC1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000069416258 569506175 /nfs/dbraw/zinc/50/61/75/569506175.db2.gz KJIYGFXZXZTQFB-UHFFFAOYSA-N 0 0 440.541 1.634 50 0 IDAARN COc1ccc(NC(=O)NC(=O)COC(=O)c2cnc3c(c2)c(C)nn3CCO)cc1 ZINC000069534980 569506886 /nfs/dbraw/zinc/50/68/86/569506886.db2.gz BEBSGOZLKFWAOU-UHFFFAOYSA-N 0 0 427.417 1.246 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)c2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)cc1 ZINC000009152268 569507755 /nfs/dbraw/zinc/50/77/55/569507755.db2.gz ZYJNPYSTXUJELY-UHFFFAOYSA-N 0 0 447.513 1.894 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000009154533 569508261 /nfs/dbraw/zinc/50/82/61/569508261.db2.gz IOYPGBXSJAWJLL-MRXNPFEDSA-N 0 0 441.550 1.847 50 0 IDAARN Cn1c2nc(N3CCOCC3)n(CCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000009159451 569508616 /nfs/dbraw/zinc/50/86/16/569508616.db2.gz GBUGMSONBKXJIS-UHFFFAOYSA-N 0 0 428.474 1.193 50 0 IDAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCCC1=CCCCC1 ZINC000009170068 569509262 /nfs/dbraw/zinc/50/92/62/569509262.db2.gz NRPHNIJPAJQSQN-UHFFFAOYSA-N 0 0 435.546 1.956 50 0 IDAARN CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000069617832 569509822 /nfs/dbraw/zinc/50/98/22/569509822.db2.gz IPVGVQIDKGNSPK-QGZVFWFLSA-N 0 0 425.576 1.758 50 0 IDAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000009182381 569509907 /nfs/dbraw/zinc/50/99/07/569509907.db2.gz PLJGRTKDYLEEBN-KKUMJFAQSA-N 0 0 439.534 1.744 50 0 IDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CCCC1 ZINC000009184333 569509929 /nfs/dbraw/zinc/50/99/29/569509929.db2.gz LZIZKVJKVUVAPO-GJZGRUSLSA-N 0 0 425.526 1.790 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)N1CCOCC1 ZINC000009191370 569510644 /nfs/dbraw/zinc/51/06/44/569510644.db2.gz LINSXKGZDRIDKX-UHFFFAOYSA-N 0 0 434.470 1.740 50 0 IDAARN Cn1c2ncn(CC(=O)N(CCc3cccs3)Cc3cccs3)c2c(=O)n(C)c1=O ZINC000009200203 569511160 /nfs/dbraw/zinc/51/11/60/569511160.db2.gz FOJYHEYXPRCWKV-UHFFFAOYSA-N 0 0 443.554 1.828 50 0 IDAARN O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCC(Oc2ccc3c(c2)OCO3)CC1 ZINC000009203867 569511281 /nfs/dbraw/zinc/51/12/81/569511281.db2.gz OIZHIRKIYNDCLJ-UHFFFAOYSA-N 0 0 429.458 1.623 50 0 IDAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000009226230 569513217 /nfs/dbraw/zinc/51/32/17/569513217.db2.gz YAFXVPBAXFJSMQ-AWEZNQCLSA-N 0 0 431.470 1.344 50 0 IDAARN COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccccc3OC)c2N)c1 ZINC000009226926 569513348 /nfs/dbraw/zinc/51/33/48/569513348.db2.gz JBLPRFUCFBDRJP-UHFFFAOYSA-N 0 0 426.433 1.777 50 0 IDAARN COCCNC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(OC)c(Br)c1 ZINC000009238844 569514394 /nfs/dbraw/zinc/51/43/94/569514394.db2.gz BKQNPSOSMFNWNO-KBPBESRZSA-N 0 0 442.339 1.879 50 0 IDAARN Cc1c(C)n(-c2ccc(Br)cc2)c2nc3c(c(=O)n(CCCO)c(=O)n3C)n12 ZINC000009243261 569514818 /nfs/dbraw/zinc/51/48/18/569514818.db2.gz DCFAZHVAPBACNP-UHFFFAOYSA-N 0 0 446.305 1.900 50 0 IDAARN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OCC(N)=O)c(OC)c1 ZINC000009249969 569515619 /nfs/dbraw/zinc/51/56/19/569515619.db2.gz GJGSUXJFPCQPEH-LBPRGKRZSA-N 0 0 432.502 1.629 50 0 IDAARN COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(S(N)(=O)=O)cc2)C3)cc1 ZINC000009252583 569516034 /nfs/dbraw/zinc/51/60/34/569516034.db2.gz ZXYOTYDEJLGSII-GOSISDBHSA-N 0 0 428.470 1.340 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000009257630 569516894 /nfs/dbraw/zinc/51/68/94/569516894.db2.gz OHWQFBAQXGKGIX-UHFFFAOYSA-N 0 0 445.541 1.737 50 0 IDAARN CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000009265807 569517407 /nfs/dbraw/zinc/51/74/07/569517407.db2.gz JGABMUQNOWLAJQ-UHFFFAOYSA-N 0 0 430.511 1.708 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000009284489 569519089 /nfs/dbraw/zinc/51/90/89/569519089.db2.gz XJUSRYGEJXHJDL-UHFFFAOYSA-N 0 0 448.453 1.250 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000009291243 569519791 /nfs/dbraw/zinc/51/97/91/569519791.db2.gz CBETWTCGHZUTSL-SFHVURJKSA-N 0 0 449.511 1.808 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)CC1 ZINC000009300915 569520672 /nfs/dbraw/zinc/52/06/72/569520672.db2.gz ONUZJOYQYQDZSY-AWEZNQCLSA-N 0 0 442.497 1.845 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccco1 ZINC000009302724 569520878 /nfs/dbraw/zinc/52/08/78/569520878.db2.gz GOOSFDHUCMQACI-OAHLLOKOSA-N 0 0 437.493 1.642 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)C1 ZINC000009305414 569521273 /nfs/dbraw/zinc/52/12/73/569521273.db2.gz SIVXSHWQIGAVIK-IRXDYDNUSA-N 0 0 438.546 1.898 50 0 IDAARN CCOC(=O)C1=C(Cn2nnc3ccccc3c2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000009316319 569522219 /nfs/dbraw/zinc/52/22/19/569522219.db2.gz CCLURELADVRLTP-IBGZPJMESA-N 0 0 435.440 1.671 50 0 IDAARN C[C@@H]1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C[C@@H](C)O1 ZINC000009335174 569523263 /nfs/dbraw/zinc/52/32/63/569523263.db2.gz AKBLHPQDPWXGFG-IAGOWNOFSA-N 0 0 446.525 1.958 50 0 IDAARN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1cccnc1 ZINC000009340608 569523840 /nfs/dbraw/zinc/52/38/40/569523840.db2.gz RKSQYXICRAPZCN-RDJZCZTQSA-N 0 0 448.520 1.443 50 0 IDAARN Nc1c(C(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000009349221 569524657 /nfs/dbraw/zinc/52/46/57/569524657.db2.gz WYDDBINNTVDWOO-UHFFFAOYSA-N 0 0 448.460 1.944 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000009377609 569527480 /nfs/dbraw/zinc/52/74/80/569527480.db2.gz KGELLYZPNSSUGO-UHFFFAOYSA-N 0 0 436.490 1.991 50 0 IDAARN NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1 ZINC000009378064 569527565 /nfs/dbraw/zinc/52/75/65/569527565.db2.gz HROPKPKCXNHESO-MRXNPFEDSA-N 0 0 439.534 1.209 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NC[C@@H]3CCCO3)nc(-c3ccccc3)nc2n(C)c1=O ZINC000009382379 569528290 /nfs/dbraw/zinc/52/82/90/569528290.db2.gz YOKDMDLHXGKJKN-AWEZNQCLSA-N 0 0 441.513 1.082 50 0 IDAARN C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O ZINC000009386428 569528454 /nfs/dbraw/zinc/52/84/54/569528454.db2.gz NSCDCGSRZFLIBH-HXUWFJFHSA-N 0 0 446.485 1.470 50 0 IDAARN COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 ZINC000009385622 569528455 /nfs/dbraw/zinc/52/84/55/569528455.db2.gz DAJSJLSDMHWCIM-NRFANRHFSA-N 0 0 446.427 1.688 50 0 IDAARN O=C(COc1cccc(NC(=O)C2CC2)c1)N1CSC[C@@H]1C(=O)NCC(F)(F)F ZINC000070019544 569528819 /nfs/dbraw/zinc/52/88/19/569528819.db2.gz QSAOMDNOZZQBHT-CQSZACIVSA-N 0 0 431.436 1.994 50 0 IDAARN CCOc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009402914 569529432 /nfs/dbraw/zinc/52/94/32/569529432.db2.gz 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COc1ccc(S(=O)(=O)N(C)CCO)cc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000009971437 569576258 /nfs/dbraw/zinc/57/62/58/569576258.db2.gz WQSMBGYFNNPWDH-UHFFFAOYSA-N 0 0 428.532 1.442 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cc3cccs3)CC2)c(C)c1 ZINC000009981959 569576549 /nfs/dbraw/zinc/57/65/49/569576549.db2.gz WVQNPCZBJRJLTA-UHFFFAOYSA-N 0 0 436.555 1.984 50 0 IDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009984373 569576668 /nfs/dbraw/zinc/57/66/68/569576668.db2.gz MSXNUPQFHMLZCY-UHFFFAOYSA-N 0 0 426.458 1.600 50 0 IDAARN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000009987894 569576851 /nfs/dbraw/zinc/57/68/51/569576851.db2.gz SFYMRDVWURMVRZ-UHFFFAOYSA-N 0 0 433.486 1.927 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000010109545 569577924 /nfs/dbraw/zinc/57/79/24/569577924.db2.gz XTCMHNXMNXENPY-OAHLLOKOSA-N 0 0 437.543 1.726 50 0 IDAARN CCOc1ccccc1NCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010108858 569577971 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430.511 1.926 50 0 IDAARN CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1c(F)cccc1F)CS(=O)(=O)C2 ZINC000010250681 569579793 /nfs/dbraw/zinc/57/97/93/569579793.db2.gz LPQPBYYMOUUECM-UHFFFAOYSA-N 0 0 426.445 1.600 50 0 IDAARN Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2cccs2)CS(=O)(=O)C3)c1 ZINC000010250559 569579796 /nfs/dbraw/zinc/57/97/96/569579796.db2.gz JXEAAQPXFNGUTO-UHFFFAOYSA-N 0 0 430.511 1.926 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 ZINC000010251319 569579847 /nfs/dbraw/zinc/57/98/47/569579847.db2.gz LAIABKLHPHEHNZ-UHFFFAOYSA-N 0 0 438.469 1.216 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000010263281 569580006 /nfs/dbraw/zinc/58/00/06/569580006.db2.gz CTTHNGSPNBKQPE-MRXNPFEDSA-N 0 0 436.530 1.844 50 0 IDAARN CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000010274106 569580317 /nfs/dbraw/zinc/58/03/17/569580317.db2.gz VBMGCJNNWBLZKE-AWEZNQCLSA-N 0 0 435.912 1.975 50 0 IDAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000010276969 569580399 /nfs/dbraw/zinc/58/03/99/569580399.db2.gz TXNYHGQUZMGAEX-QFIPXVFZSA-N 0 0 449.507 1.867 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)C1 ZINC000071772353 569580962 /nfs/dbraw/zinc/58/09/62/569580962.db2.gz LLYZYQIFVCSHJG-INIZCTEOSA-N 0 0 439.472 1.865 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2ncc(CO)n2Cc2ccc(F)cc2)CC1 ZINC000010336376 569581129 /nfs/dbraw/zinc/58/11/29/569581129.db2.gz QOTDFLWRKMPPGP-UHFFFAOYSA-N 0 0 436.509 1.956 50 0 IDAARN CCN(CC(=O)N1CCC(c2ccccc2)=N1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010431441 569582086 /nfs/dbraw/zinc/58/20/86/569582086.db2.gz ACMKYBLEZMOHHV-UHFFFAOYSA-N 0 0 446.511 1.630 50 0 IDAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC)cc1 ZINC000010445385 569582233 /nfs/dbraw/zinc/58/22/33/569582233.db2.gz NRZRAJCBAJUDHO-CQSZACIVSA-N 0 0 433.486 1.903 50 0 IDAARN CCOC(=O)c1sc(NC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)nc1C ZINC000095475413 569584357 /nfs/dbraw/zinc/58/43/57/569584357.db2.gz PNEFDDVXKVVSIH-CQSZACIVSA-N 0 0 430.486 2.324 50 0 IDAARN O=C(COc1ccccc1)Nc1ccc(-n2nnn(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000077100276 569585327 /nfs/dbraw/zinc/58/53/27/569585327.db2.gz DCBOLFFPAYRWQZ-UHFFFAOYSA-N 0 0 448.439 1.356 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NC(=O)c3ccccc3F)cc2)c1=O)NCc1ccco1 ZINC000077100275 569585385 /nfs/dbraw/zinc/58/53/85/569585385.db2.gz YFWVBKKYUKJXJK-UHFFFAOYSA-N 0 0 436.403 1.730 50 0 IDAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000077101289 569585622 /nfs/dbraw/zinc/58/56/22/569585622.db2.gz YCUGZKNDANNCAE-UHFFFAOYSA-N 0 0 426.498 1.483 50 0 IDAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cccc(-n2cnnn2)c1 ZINC000077154500 569585719 /nfs/dbraw/zinc/58/57/19/569585719.db2.gz HSYRKKQAUDLPIR-UHFFFAOYSA-N 0 0 431.503 1.221 50 0 IDAARN O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)c1cnn(-c2ccccc2)n1 ZINC000077196504 569586126 /nfs/dbraw/zinc/58/61/26/569586126.db2.gz IBPJNDFYSHJWIC-UHFFFAOYSA-N 0 0 430.515 1.826 50 0 IDAARN COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1 ZINC000077197227 569586167 /nfs/dbraw/zinc/58/61/67/569586167.db2.gz KFFSBIYNSWCYSP-KRWDZBQOSA-N 0 0 425.445 1.212 50 0 IDAARN Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)n1 ZINC000077196916 569586169 /nfs/dbraw/zinc/58/61/69/569586169.db2.gz GLTGIMAHRABJEN-IBGZPJMESA-N 0 0 448.527 1.832 50 0 IDAARN COc1ccccc1[C@H](O)Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000077197257 569586172 /nfs/dbraw/zinc/58/61/72/569586172.db2.gz SHDVZMNZMORQMT-QGZVFWFLSA-N 0 0 431.493 1.713 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O ZINC000077198183 569586291 /nfs/dbraw/zinc/58/62/91/569586291.db2.gz NUZVACLKZZHRGI-UHFFFAOYSA-N 0 0 448.526 1.738 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3nc4ccccc4[nH]3)C2)c1 ZINC000021928021 569587188 /nfs/dbraw/zinc/58/71/88/569587188.db2.gz XZFJHJDQYFZEGH-OAHLLOKOSA-N 0 0 430.534 1.539 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000626144 193861148 /nfs/dbraw/zinc/86/11/48/193861148.db2.gz TYNSPRZVQQSBDX-SFHVURJKSA-N 0 0 449.511 1.826 50 0 IDAARN O=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3ccc(S(=O)(=O)N4CCCC4)c1c23 ZINC000000628557 193862305 /nfs/dbraw/zinc/86/23/05/193862305.db2.gz FJZSFTDTAPXLGV-UHFFFAOYSA-N 0 0 435.527 1.975 50 0 IDAARN Cc1nc(SCCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)n[nH]1 ZINC000055053582 193933177 /nfs/dbraw/zinc/93/31/77/193933177.db2.gz PEMHVCVOBIOEFS-OAHLLOKOSA-N 0 0 440.932 1.505 50 0 IDAARN CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 ZINC000223230855 193955104 /nfs/dbraw/zinc/95/51/04/193955104.db2.gz HGURGJBNBRZGRQ-UHFFFAOYSA-N 0 0 428.518 1.919 50 0 IDAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000223235691 193956028 /nfs/dbraw/zinc/95/60/28/193956028.db2.gz ILRDIIGDCWALPJ-PBHICJAKSA-N 0 0 436.472 1.816 50 0 IDAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)C1=COCCO1 ZINC000009224239 132227543 /nfs/dbraw/zinc/22/75/43/132227543.db2.gz FOXFUNZAOZQIJB-UHFFFAOYSA-N 0 0 436.461 1.691 50 0 IDAARN COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000009570161 132235702 /nfs/dbraw/zinc/23/57/02/132235702.db2.gz IVHITJMVIDKKOE-SFHVURJKSA-N 0 0 447.557 1.731 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000009570274 132235966 /nfs/dbraw/zinc/23/59/66/132235966.db2.gz ZINKSVCKRATCFZ-UHFFFAOYSA-N 0 0 441.550 1.564 50 0 IDAARN CCOC(=O)CCC(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(OC)c2)CC1 ZINC000009851214 132242061 /nfs/dbraw/zinc/24/20/61/132242061.db2.gz CDSFTWZHTWYVQQ-UHFFFAOYSA-N 0 0 439.476 1.211 50 0 IDAARN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)c2ccc(CC(=O)OC)cc2O1 ZINC000001399731 132244869 /nfs/dbraw/zinc/24/48/69/132244869.db2.gz ZFUWSGKPYSXDHY-HNNXBMFYSA-N 0 0 425.484 1.983 50 0 IDAARN Cn1c2c(nc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n(Cc1ccccc1)c2=O ZINC000010385562 132246608 /nfs/dbraw/zinc/24/66/08/132246608.db2.gz CZDBSRIHMOMBIM-UHFFFAOYSA-N 0 0 430.512 1.809 50 0 IDAARN Cn1c2ccc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)cc2oc1=O ZINC000002339800 132252504 /nfs/dbraw/zinc/25/25/04/132252504.db2.gz GBAHKDDWCUCHEV-UHFFFAOYSA-N 0 0 430.530 1.622 50 0 IDAARN Cc1cccn2c(=O)c3c(nc12)N(C)[C@@H](c1ccccc1)C1(C3)C(=O)N(C)C(=O)N(C)C1=O ZINC000002353331 132252717 /nfs/dbraw/zinc/25/27/17/132252717.db2.gz UAABGWPJUUWHRD-KRWDZBQOSA-N 0 0 445.479 1.773 50 0 IDAARN Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000002700597 132256273 /nfs/dbraw/zinc/25/62/73/132256273.db2.gz YGOHFPHQIPLOPO-UHFFFAOYSA-N 0 0 429.542 1.978 50 0 IDAARN CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000006177108 132276572 /nfs/dbraw/zinc/27/65/72/132276572.db2.gz VKLDOAVTDPNPHJ-UHFFFAOYSA-N 0 0 439.559 1.126 50 0 IDAARN CCc1nc(SCC(=O)N2CCCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000006530289 132277612 /nfs/dbraw/zinc/27/76/12/132277612.db2.gz HHFOSVIQINECFE-UHFFFAOYSA-N 0 0 425.514 1.661 50 0 IDAARN COc1ccccc1N1CCN(S(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)CC1 ZINC000008591146 132283850 /nfs/dbraw/zinc/28/38/50/132283850.db2.gz BSFDPAVEAJURDR-UHFFFAOYSA-N 0 0 430.486 1.044 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1 ZINC000008594548 132284677 /nfs/dbraw/zinc/28/46/77/132284677.db2.gz SXHXZEANTUSWFN-UHFFFAOYSA-N 0 0 432.502 1.523 50 0 IDAARN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)CC2)c1 ZINC000008608484 132287609 /nfs/dbraw/zinc/28/76/09/132287609.db2.gz NBOSKLWDBBDWKF-UHFFFAOYSA-N 0 0 445.589 1.786 50 0 IDAARN COCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008811936 132294628 /nfs/dbraw/zinc/29/46/28/132294628.db2.gz HCHUEORDJULTFQ-UHFFFAOYSA-N 0 0 441.575 1.453 50 0 IDAARN Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCN(c4ccccc4)CC2)CCC3)n1 ZINC000009018888 132301136 /nfs/dbraw/zinc/30/11/36/132301136.db2.gz WJRJZKPDCMSZID-UHFFFAOYSA-N 0 0 432.528 1.883 50 0 IDAARN CNC(=O)[C@@H]1CN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c2ccccc2O1 ZINC000009220426 132309394 /nfs/dbraw/zinc/30/93/94/132309394.db2.gz XKGCRTVXQGLLHY-HNNXBMFYSA-N 0 0 436.390 1.172 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000009223253 132309652 /nfs/dbraw/zinc/30/96/52/132309652.db2.gz FSEMAZBZTABKJU-LJQANCHMSA-N 0 0 429.546 1.677 50 0 IDAARN Cn1c2ncn(CC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)c2c(=O)n(C)c1=O ZINC000009245509 132310622 /nfs/dbraw/zinc/31/06/22/132310622.db2.gz VZTMJPCZGHPJRP-KRWDZBQOSA-N 0 0 431.452 1.601 50 0 IDAARN Cc1cccc(NC(=O)CSc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 ZINC000009295614 132312863 /nfs/dbraw/zinc/31/28/63/132312863.db2.gz USPQGMHQEUMWBB-UHFFFAOYSA-N 0 0 430.534 1.584 50 0 IDAARN Cc1ccc(CNC(=O)CSc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000009427171 132316800 /nfs/dbraw/zinc/31/68/00/132316800.db2.gz NJNPARKOGSENCR-UHFFFAOYSA-N 0 0 444.561 1.262 50 0 IDAARN Cn1c2nnc(CCCC(=O)N3CCN(c4ncccn4)CC3)n2c2ccsc2c1=O ZINC000009431322 132317198 /nfs/dbraw/zinc/31/71/98/132317198.db2.gz NORIAKIWBYXGJZ-UHFFFAOYSA-N 0 0 438.517 1.104 50 0 IDAARN COCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000009433940 132317304 /nfs/dbraw/zinc/31/73/04/132317304.db2.gz XXVALQCLLLNFGZ-HYBUGGRVSA-N 0 0 434.496 1.649 50 0 IDAARN O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009434332 132317466 /nfs/dbraw/zinc/31/74/66/132317466.db2.gz WJNYQLHEWVLCPC-UHFFFAOYSA-N 0 0 432.521 1.970 50 0 IDAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1cnccn1 ZINC000009441162 132317926 /nfs/dbraw/zinc/31/79/26/132317926.db2.gz XRAWUHXOYWQSMZ-UHFFFAOYSA-N 0 0 430.461 1.906 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC(=O)Nc4ccccc43)C2=O)cc1OC ZINC000009454829 132318086 /nfs/dbraw/zinc/31/80/86/132318086.db2.gz DUOQHURXDZMZCJ-QFIPXVFZSA-N 0 0 438.440 1.456 50 0 IDAARN Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)o1 ZINC000009491784 132319344 /nfs/dbraw/zinc/31/93/44/132319344.db2.gz CXAQMPBEBPLLEX-UHFFFAOYSA-N 0 0 435.502 1.698 50 0 IDAARN CN1c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2N2CCCC[C@H]2C1=O ZINC000009528816 132320560 /nfs/dbraw/zinc/32/05/60/132320560.db2.gz 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CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000035296270 518729633 /nfs/dbraw/zinc/72/96/33/518729633.db2.gz VWPMSIOVCRFGQN-UHFFFAOYSA-N 0 0 444.532 1.029 50 0 IDAARN CC(C)(C)c1ccc(OCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OC[C@H]2CCCO2)cc1 ZINC000012137043 519038661 /nfs/dbraw/zinc/03/86/61/519038661.db2.gz WAODDSGIKJYOAQ-MOPGFXCFSA-N 0 0 432.517 1.802 50 0 IDAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@H]3CCCO3)CC2)cc1 ZINC000023674758 519043350 /nfs/dbraw/zinc/04/33/50/519043350.db2.gz CHCPIIQVBBNTRQ-WOJBJXKFSA-N 0 0 440.606 1.847 50 0 IDAARN CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCN(C)CC3)c2n1C ZINC000012157245 519459104 /nfs/dbraw/zinc/45/91/04/519459104.db2.gz OHYGLBDNSPZEMN-UHFFFAOYSA-N 0 0 436.582 1.378 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)CC1 ZINC000012004337 519588366 /nfs/dbraw/zinc/58/83/66/519588366.db2.gz JLEYVDWZKOENAP-UHFFFAOYSA-N 0 0 429.564 1.086 50 0 IDAARN CC(=O)N1C[C@@H](C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)Oc2ccccc21 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0 IDAARN CCN(C(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000012911570 519916776 /nfs/dbraw/zinc/91/67/76/519916776.db2.gz GIWUSUYMSZJCQH-HNNXBMFYSA-N 0 0 443.518 1.224 50 0 IDAARN CCN(C(=O)Cn1nnc(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000015481679 519939940 /nfs/dbraw/zinc/93/99/40/519939940.db2.gz OJBIOJAVADDFJZ-ZDUSSCGKSA-N 0 0 428.312 1.138 50 0 IDAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ncccn4)CC3)C2)c1 ZINC000035505939 520049309 /nfs/dbraw/zinc/04/93/09/520049309.db2.gz XNFWYVQOXOTJPA-KRWDZBQOSA-N 0 0 447.565 1.004 50 0 IDAARN CCN(C(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000012003484 520069987 /nfs/dbraw/zinc/06/99/87/520069987.db2.gz YHQVTUBJQWRPNQ-LBPRGKRZSA-N 0 0 434.923 1.056 50 0 IDAARN CCN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012650801 520334079 /nfs/dbraw/zinc/33/40/79/520334079.db2.gz GFJMEROPYDJRLZ-UHFFFAOYSA-N 0 0 438.377 1.843 50 0 IDAARN CCN(CC)C(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(C)cc2)CC1 ZINC000012702000 520441027 /nfs/dbraw/zinc/44/10/27/520441027.db2.gz PLKJDYSBFLKLFP-OAQYLSRUSA-N 0 0 428.577 1.793 50 0 IDAARN CCN(CC)C(=O)CSc1nnc(SCc2nc3c(C)cccc3c(=O)[nH]2)n1N ZINC000022281345 520494899 /nfs/dbraw/zinc/49/48/99/520494899.db2.gz FIXKZHZIVDTNRS-UHFFFAOYSA-N 0 0 433.563 1.790 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559128 520514855 /nfs/dbraw/zinc/51/48/55/520514855.db2.gz LWUVKDRKCBVURF-SFHVURJKSA-N 0 0 444.513 1.970 50 0 IDAARN CCOC(=O)C1=C(CN2CCOCC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991051 520516822 /nfs/dbraw/zinc/51/68/22/520516822.db2.gz XDYKNTVOFDKWAI-HXUWFJFHSA-N 0 0 433.505 1.939 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)NC(=O)N[C@@H]1C ZINC000022869953 520522446 /nfs/dbraw/zinc/52/24/46/520522446.db2.gz FIKGGFAVGPCJBK-HIFRSBDPSA-N 0 0 429.473 1.664 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)NC(=O)N[C@@H]1CC ZINC000012791605 520523110 /nfs/dbraw/zinc/52/31/10/520523110.db2.gz 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CC1=C(C(=O)N2CCN(c3ccccc3)CC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887486 520792983 /nfs/dbraw/zinc/79/29/83/520792983.db2.gz CLZQCSYCCUCPKT-UHFFFAOYSA-N 0 0 433.530 1.003 50 0 biogenic IDAARN CCOc1cc2c(cc1NC(=O)C1=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC1)O[C@H](C)C2 ZINC000026886453 520794565 /nfs/dbraw/zinc/79/45/65/520794565.db2.gz HVHWGNUDSKTAPT-OCCSQVGLSA-N 0 0 435.502 1.513 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000012905037 520796111 /nfs/dbraw/zinc/79/61/11/520796111.db2.gz PBGBNWZYZRKJSQ-UHFFFAOYSA-N 0 0 428.514 1.894 50 0 IDAARN CC1=C(C(=O)NC[C@@H]2CCCO2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731384 520796989 /nfs/dbraw/zinc/79/69/89/520796989.db2.gz VKGVEPWVZAKMFY-AWEZNQCLSA-N 0 0 440.543 1.440 50 0 biogenic IDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCC(=O)N2CCNC2=O)c1 ZINC000015294316 520800090 /nfs/dbraw/zinc/80/00/90/520800090.db2.gz RBZUPCQVYRSDNI-UHFFFAOYSA-N 0 0 437.566 1.671 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCCOC[C@@H]2CCCO2)cc1 ZINC000021699775 520807424 /nfs/dbraw/zinc/80/74/24/520807424.db2.gz WHGHJMOJXWLEHM-INIZCTEOSA-N 0 0 434.580 1.581 50 0 IDAARN CCOc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000012795931 520848506 /nfs/dbraw/zinc/84/85/06/520848506.db2.gz WBAJZPWSODYHOS-KPKJPENVSA-N 0 0 432.498 1.648 50 0 IDAARN CCOC(=O)Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1cccc(OC)c1 ZINC000034693321 520918771 /nfs/dbraw/zinc/91/87/71/520918771.db2.gz GGHGDSLRPKLPNS-UHFFFAOYSA-N 0 0 434.452 1.969 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)CNC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000020738412 520925370 /nfs/dbraw/zinc/92/53/70/520925370.db2.gz VHQGAVWIUZKEON-UHFFFAOYSA-N 0 0 427.505 1.973 50 0 biogenic IDAARN CCOC(=O)N1CCC(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)CC1 ZINC000012003488 520929278 /nfs/dbraw/zinc/92/92/78/520929278.db2.gz VGKPXARMJHQBAB-UHFFFAOYSA-N 0 0 443.909 1.757 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(cc(OC)cc3OC)n2C)CC1 ZINC000012324917 520947592 /nfs/dbraw/zinc/94/75/92/520947592.db2.gz DAWYFDULTRLSJV-AWEZNQCLSA-N 0 0 446.504 1.615 50 0 IDAARN CCOC(=O)N1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2F)C3=O)CC1 ZINC000034811019 520949384 /nfs/dbraw/zinc/94/93/84/520949384.db2.gz XXGKQSDFEDVWMN-UHFFFAOYSA-N 0 0 429.452 1.593 50 0 IDAARN CCOC(=O)N1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 ZINC000023339180 520955067 /nfs/dbraw/zinc/95/50/67/520955067.db2.gz VELMDBQWMJWMBR-SFHVURJKSA-N 0 0 440.566 1.520 50 0 IDAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCSc2nnc(C)s2)cc1 ZINC000012596682 520975654 /nfs/dbraw/zinc/97/56/54/520975654.db2.gz NFYJBCYKGGVAHX-QGZVFWFLSA-N 0 0 449.602 1.844 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)NCCCN3CCOCC3)c2)CC1 ZINC000020664316 521030248 /nfs/dbraw/zinc/03/02/48/521030248.db2.gz YPRPKBBELPSPAY-UHFFFAOYSA-N 0 0 427.542 1.698 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n32)C1 ZINC000021537380 521104133 /nfs/dbraw/zinc/10/41/33/521104133.db2.gz JEAJKASTWFOJNJ-OAHLLOKOSA-N 0 0 441.513 1.978 50 0 IDAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCc3ccccc3OC)ccc21 ZINC000015937123 521158560 /nfs/dbraw/zinc/15/85/60/521158560.db2.gz HVPOFXNPTNSDHF-UHFFFAOYSA-N 0 0 445.541 1.979 50 0 IDAARN CCOc1ccc([C@H](CNC(=O)CCNC(=O)c2ccco2)N2CCOCC2)cc1OC ZINC000012780137 521262323 /nfs/dbraw/zinc/26/23/23/521262323.db2.gz ZFQFUJOLBXYSNY-SFHVURJKSA-N 0 0 445.516 1.997 50 0 IDAARN CCCCc1ccc(NC(=O)Cn2nc([C@@H]3CCCN(S(C)(=O)=O)C3)n(C)c2=O)cc1 ZINC000023141202 521282473 /nfs/dbraw/zinc/28/24/73/521282473.db2.gz NLVXSOUNGKHTJI-QGZVFWFLSA-N 0 0 449.577 1.702 50 0 IDAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)sc2n1 ZINC000020866190 521346205 /nfs/dbraw/zinc/34/62/05/521346205.db2.gz REKLZYDBCOQTLL-UHFFFAOYSA-N 0 0 447.561 1.685 50 0 IDAARN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C)cs2)c(=O)[nH]c1=O ZINC000020897313 521369022 /nfs/dbraw/zinc/36/90/22/521369022.db2.gz TZGCESHIFKQIOU-UHFFFAOYSA-N 0 0 427.552 1.456 50 0 IDAARN CCCCn1c2c(c(=O)n(C)c1=O)[C@@H](CC(=O)Nc1nc3c(s1)CCCC3)C(=O)N2 ZINC000012569680 521372904 /nfs/dbraw/zinc/37/29/04/521372904.db2.gz QOAYUWRDTJJDAJ-LLVKDONJSA-N 0 0 431.518 1.747 50 0 IDAARN CCCCn1c2nc(COC(=O)c3ccc(S(C)(=O)=O)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000012520047 521377245 /nfs/dbraw/zinc/37/72/45/521377245.db2.gz RPZXKRZNOIYFLW-UHFFFAOYSA-N 0 0 448.501 1.467 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccnc2)C1 ZINC000021888350 521381503 /nfs/dbraw/zinc/38/15/03/521381503.db2.gz LRVNQWCXTHTPFG-QGZVFWFLSA-N 0 0 448.545 1.920 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccnc2)C1 ZINC000021888352 521382308 /nfs/dbraw/zinc/38/23/08/521382308.db2.gz LRVNQWCXTHTPFG-KRWDZBQOSA-N 0 0 448.545 1.920 50 0 IDAARN CCCCn1nc(C(=O)OCc2nc(N)nc(Nc3ccccc3OC)n2)ccc1=O ZINC000021736164 521395806 /nfs/dbraw/zinc/39/58/06/521395806.db2.gz IQECZOHPYOZRCQ-UHFFFAOYSA-N 0 0 425.449 1.920 50 0 IDAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NCCN3CCOCC3)c2)on1 ZINC000020986652 521425511 /nfs/dbraw/zinc/42/55/11/521425511.db2.gz HAEIOJXQCKOCTG-UHFFFAOYSA-N 0 0 439.490 1.137 50 0 IDAARN CCOc1ccccc1-c1nnc(SCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 ZINC000012683218 521440880 /nfs/dbraw/zinc/44/08/80/521440880.db2.gz JIYYZWYHUBUORU-LLVKDONJSA-N 0 0 440.503 1.240 50 0 IDAARN CCCN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[C@H]1CCS(=O)(=O)C1 ZINC000022357449 521444632 /nfs/dbraw/zinc/44/46/32/521444632.db2.gz QRFONIGCPOWEQZ-ZDUSSCGKSA-N 0 0 443.572 1.337 50 0 IDAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000012782927 521453730 /nfs/dbraw/zinc/45/37/30/521453730.db2.gz BYMBJIHINDFFEU-UHFFFAOYSA-N 0 0 427.852 1.069 50 0 IDAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCOC)N(c1ccc(OCC)cc1)C2=O ZINC000021879433 521454180 /nfs/dbraw/zinc/45/41/80/521454180.db2.gz BJOLBPPRDSAONY-QFIPXVFZSA-N 0 0 444.488 1.640 50 0 IDAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCOC)N(Cc1ccccc1OC)C2=O ZINC000021879452 521454759 /nfs/dbraw/zinc/45/47/59/521454759.db2.gz GPHQHKGUHKATGC-QFIPXVFZSA-N 0 0 444.488 1.246 50 0 IDAARN CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1ccccc1-n1cncn1 ZINC000012315231 521484337 /nfs/dbraw/zinc/48/43/37/521484337.db2.gz BSOWNSRUFPHMHV-OAQYLSRUSA-N 0 0 448.527 1.673 50 0 IDAARN CCN1C(=O)c2c(C(=O)NCCc3ccco3)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000035427574 521536713 /nfs/dbraw/zinc/53/67/13/521536713.db2.gz BYFPVFMDXDBYQJ-QFIPXVFZSA-N 0 0 427.505 1.742 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)Nn2c(C)nc3sc(C)cc3c2=O)nc1N ZINC000020557746 521572519 /nfs/dbraw/zinc/57/25/19/521572519.db2.gz CHEUVSDHJJHBRC-UHFFFAOYSA-N 0 0 434.503 1.486 50 0 IDAARN CCCn1c(=O)cc(C(=O)Nc2cccnc2Cl)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422406 521619322 /nfs/dbraw/zinc/61/93/22/521619322.db2.gz VAWZXFFFTMFFQI-UHFFFAOYSA-N 0 0 431.880 1.983 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000021568783 521631803 /nfs/dbraw/zinc/63/18/03/521631803.db2.gz MJFAYJQPJXIAAD-CQSZACIVSA-N 0 0 435.550 1.507 50 0 IDAARN CCOC(CNC(=O)c1cn(C)c2c1[nH]c(=O)n(-c1ccc(Cl)cc1)c2=O)OCC ZINC000017306872 521632607 /nfs/dbraw/zinc/63/26/07/521632607.db2.gz NMSAWXKDQMKZPE-UHFFFAOYSA-N 0 0 434.880 1.800 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(C[C@H](O)COc2ccc(CC)cc2)c1=O ZINC000012805306 521640182 /nfs/dbraw/zinc/64/01/82/521640182.db2.gz BRADEPFQDWORSS-SFHVURJKSA-N 0 0 444.532 1.727 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(C[C@@H](O)COc2ccc(CC)cc2)c1=O ZINC000012805298 521640331 /nfs/dbraw/zinc/64/03/31/521640331.db2.gz BRADEPFQDWORSS-GOSISDBHSA-N 0 0 444.532 1.727 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(C[C@H](O)COc2ccc(F)cc2)c1=O ZINC000012805286 521640398 /nfs/dbraw/zinc/64/03/98/521640398.db2.gz LCNFFCMHJNMCJM-INIZCTEOSA-N 0 0 434.468 1.304 50 0 IDAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2C)[C@](C)(C(=O)NC2CCCC2)C1 ZINC000021870078 521659967 /nfs/dbraw/zinc/65/99/67/521659967.db2.gz UYEKWKHHHQVJHE-FQEVSTJZSA-N 0 0 425.526 1.950 50 0 IDAARN CCS(=O)(=O)N1CCC(NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1 ZINC000023130566 521662278 /nfs/dbraw/zinc/66/22/78/521662278.db2.gz QGYSJTCFRVMJJE-UHFFFAOYSA-N 0 0 434.566 1.369 50 0 IDAARN CCN1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccc(C)cc2C)NC(=O)N3CC)CC1 ZINC000035967365 521663672 /nfs/dbraw/zinc/66/36/72/521663672.db2.gz VRJPZYWKMAMTCH-QFIPXVFZSA-N 0 0 439.560 1.650 50 0 IDAARN CCN1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 ZINC000022768384 521664190 /nfs/dbraw/zinc/66/41/90/521664190.db2.gz JMNAYTFGZWNVNO-INIZCTEOSA-N 0 0 442.520 1.922 50 0 IDAARN CCCn1nc(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)ccc1=O ZINC000023870092 521665300 /nfs/dbraw/zinc/66/53/00/521665300.db2.gz HSAHWCJZSMYECB-JTQLQIEISA-N 0 0 440.378 1.371 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4cc(F)ccc4F)c(=O)c3s2)CC1 ZINC000021886424 521700755 /nfs/dbraw/zinc/70/07/55/521700755.db2.gz BHMRRRYLGGXGTR-UHFFFAOYSA-N 0 0 434.472 1.912 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)NCc4cccc(OC)c4)c(=O)c3s2)CC1 ZINC000021886470 521700940 /nfs/dbraw/zinc/70/09/40/521700940.db2.gz CCWYESZYIMYFSD-UHFFFAOYSA-N 0 0 442.545 1.320 50 0 IDAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000012557854 521817139 /nfs/dbraw/zinc/81/71/39/521817139.db2.gz PSMJCVMINZHAKZ-UHFFFAOYSA-N 0 0 433.364 1.979 50 0 IDAARN CC[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1nnc2ccccc2c1=O ZINC000020547390 521817355 /nfs/dbraw/zinc/81/73/55/521817355.db2.gz HRWXZOIZRWVOIU-IBGZPJMESA-N 0 0 435.484 1.816 50 0 IDAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000012548711 521819581 /nfs/dbraw/zinc/81/95/81/521819581.db2.gz JAYJRLBHUQVMEO-UHFFFAOYSA-N 0 0 442.471 1.016 50 0 IDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1OC)c(=O)n2C ZINC000012447265 521825919 /nfs/dbraw/zinc/82/59/19/521825919.db2.gz RWBALJMYHKKYSY-UHFFFAOYSA-N 0 0 426.429 1.146 50 0 IDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)NCc1ccccc1Cl)c(=O)n2C ZINC000012445455 521826389 /nfs/dbraw/zinc/82/63/89/521826389.db2.gz SCTJRWFCZSUBEL-UHFFFAOYSA-N 0 0 430.848 1.160 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1F)c(=O)n2C ZINC000012427941 521829560 /nfs/dbraw/zinc/82/95/60/521829560.db2.gz WHZNHTYDGKWFKZ-UHFFFAOYSA-N 0 0 444.394 1.676 50 0 IDAARN CNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012793973 521835713 /nfs/dbraw/zinc/83/57/13/521835713.db2.gz MMSCATGBHWKJPL-UHFFFAOYSA-N 0 0 433.486 1.515 50 0 IDAARN CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000012904472 521869359 /nfs/dbraw/zinc/86/93/59/521869359.db2.gz PSJOOPWCUFEMEC-UHFFFAOYSA-N 0 0 449.511 1.447 50 0 IDAARN COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc(C(=O)OC)c1 ZINC000018230518 521889718 /nfs/dbraw/zinc/88/97/18/521889718.db2.gz IPGXNOFYAIDVHS-UHFFFAOYSA-N 0 0 449.485 1.635 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2nc3ccc(C)cc3s2)cn1C ZINC000021151609 521903817 /nfs/dbraw/zinc/90/38/17/521903817.db2.gz RUHNHDPODUJDBG-UHFFFAOYSA-N 0 0 436.515 1.989 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(OC)cc2)cn1C ZINC000035375944 521904653 /nfs/dbraw/zinc/90/46/53/521904653.db2.gz FTLBPHURXJOYGH-QGZVFWFLSA-N 0 0 435.502 1.290 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000012867439 521958135 /nfs/dbraw/zinc/95/81/35/521958135.db2.gz LEOVEARNUMKFIH-DCPHZVHLSA-N 0 0 428.533 1.892 50 0 biogenic IDAARN CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)[C@@H]3COc4ccccc4O3)o2)cc1 ZINC000035590062 521974465 /nfs/dbraw/zinc/97/44/65/521974465.db2.gz QYCOBCWOTLVWLV-INIZCTEOSA-N 0 0 430.442 1.765 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000012632409 521982635 /nfs/dbraw/zinc/98/26/35/521982635.db2.gz BIGYRCKHQPEQQN-QGZVFWFLSA-N 0 0 428.898 1.249 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2cn3ccccc3n2)c1 ZINC000032945490 521986010 /nfs/dbraw/zinc/98/60/10/521986010.db2.gz PRGGFSUSWMAXKK-UHFFFAOYSA-N 0 0 444.513 1.778 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000012933784 521989347 /nfs/dbraw/zinc/98/93/47/521989347.db2.gz MJLKPHANPHQCNA-YJBOKZPZSA-N 0 0 428.532 1.313 50 0 IDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2ccccc2C)c(=O)[nH]c1=O ZINC000012788928 522069921 /nfs/dbraw/zinc/06/99/21/522069921.db2.gz XVNBPXDIFGRKPL-UHFFFAOYSA-N 0 0 438.484 1.686 50 0 IDAARN COCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(C)c2C)c1=O ZINC000032958159 522070670 /nfs/dbraw/zinc/07/06/70/522070670.db2.gz DGVXGWSJQCZJPL-UHFFFAOYSA-N 0 0 429.521 1.484 50 0 IDAARN COC(=O)c1ccc(N2CCN(C(=O)Cn3nnnc3CN3CCCCCC3)CC2)cc1 ZINC000012430421 522082084 /nfs/dbraw/zinc/08/20/84/522082084.db2.gz WKLMUXNIZIVKMV-UHFFFAOYSA-N 0 0 441.536 1.185 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1 ZINC000020767235 522091657 /nfs/dbraw/zinc/09/16/57/522091657.db2.gz HQULHWKOYTUGCJ-UHFFFAOYSA-N 0 0 440.500 1.677 50 0 IDAARN COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)N3CCNC(=O)C3)c21 ZINC000012247161 522139305 /nfs/dbraw/zinc/13/93/05/522139305.db2.gz LFTDGJNCGGGHBS-UHFFFAOYSA-N 0 0 427.505 1.774 50 0 IDAARN CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000012845462 522211736 /nfs/dbraw/zinc/21/17/36/522211736.db2.gz BKCNTNBAXHERCZ-UHFFFAOYSA-N 0 0 437.543 1.107 50 0 IDAARN COC(=O)c1cccc(COC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 ZINC000023817461 522215508 /nfs/dbraw/zinc/21/55/08/522215508.db2.gz HLSDIDAOFHGQKR-JOCHJYFZSA-N 0 0 426.425 1.992 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)n(C)c1 ZINC000012746665 522257068 /nfs/dbraw/zinc/25/70/68/522257068.db2.gz IEODZXNQJGAVSI-UHFFFAOYSA-N 0 0 449.529 1.889 50 0 IDAARN COC[C@@H](C)n1c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O ZINC000012533168 522284381 /nfs/dbraw/zinc/28/43/81/522284381.db2.gz OHODDAOJSYKKKF-KGLIPLIRSA-N 0 0 439.559 1.342 50 0 IDAARN COC(=O)c1cnc(NC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)s1 ZINC000012933458 522338324 /nfs/dbraw/zinc/33/83/24/522338324.db2.gz QUHNWGYMDHDLNL-LLVKDONJSA-N 0 0 434.499 1.729 50 0 IDAARN COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCC2CCOCC2)cc(OC)c1 ZINC000012572712 522385839 /nfs/dbraw/zinc/38/58/39/522385839.db2.gz WCRLHIBLQQOKSG-OAQYLSRUSA-N 0 0 433.549 1.669 50 0 IDAARN COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccnc2C)cc(OC)c1 ZINC000023337878 522387679 /nfs/dbraw/zinc/38/76/79/522387679.db2.gz XTFJHHHGLBUWAF-HXUWFJFHSA-N 0 0 429.521 1.106 50 0 IDAARN CN(CC(=O)NCc1ccncc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000034678975 522488183 /nfs/dbraw/zinc/48/81/83/522488183.db2.gz MSNISBXTHYPONG-UHFFFAOYSA-N 0 0 446.511 1.713 50 0 IDAARN CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020762049 522489493 /nfs/dbraw/zinc/48/94/93/522489493.db2.gz YOYSDVJGRCFLNL-UHFFFAOYSA-N 0 0 429.907 1.669 50 0 IDAARN COC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000015933650 522620822 /nfs/dbraw/zinc/62/08/22/522620822.db2.gz GREBDEIKMXJQTL-INIZCTEOSA-N 0 0 425.551 1.463 50 0 IDAARN COc1cc(NC(=O)CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC ZINC000012390098 522661023 /nfs/dbraw/zinc/66/10/23/522661023.db2.gz GJJVCJNYXJLAKB-UHFFFAOYSA-N 0 0 426.429 1.246 50 0 IDAARN CCc1nnc(NC(=O)CSCc2cc(=O)n3nc(CCOC)sc3n2)s1 ZINC000021042349 522762686 /nfs/dbraw/zinc/76/26/86/522762686.db2.gz ZUTGPWHFXDKEHK-UHFFFAOYSA-N 0 0 426.549 1.626 50 0 IDAARN CCc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1 ZINC000020487598 522763331 /nfs/dbraw/zinc/76/33/31/522763331.db2.gz PIILUNXYKRASNG-UHFFFAOYSA-N 0 0 435.329 1.147 50 0 IDAARN COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nonc43)CC2)c1 ZINC000012391428 522847055 /nfs/dbraw/zinc/84/70/55/522847055.db2.gz DOZLHMNPNWLFGP-UHFFFAOYSA-N 0 0 432.458 1.387 50 0 IDAARN COc1cc(OC)cc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000022733066 522851328 /nfs/dbraw/zinc/85/13/28/522851328.db2.gz VCEFSOPDVFODHL-UHFFFAOYSA-N 0 0 447.557 1.749 50 0 IDAARN CN(CCOC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000000780293 522887449 /nfs/dbraw/zinc/88/74/49/522887449.db2.gz SAFXLGUCHZMSFO-HNNXBMFYSA-N 0 0 427.482 1.664 50 0 IDAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(O)cc1 ZINC000020858228 522889374 /nfs/dbraw/zinc/88/93/74/522889374.db2.gz ZYHDMWBWCMJTLL-GOSISDBHSA-N 0 0 432.454 1.656 50 0 IDAARN COc1cc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCC(C(N)=O)CC2)cc(OC)c1OC ZINC000022609971 522951302 /nfs/dbraw/zinc/95/13/02/522951302.db2.gz IVFCISINEOTHNH-OAHLLOKOSA-N 0 0 447.517 1.809 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)N[C@]3(CCc4ccccc43)C1=O)CC2 ZINC000013121275 523026810 /nfs/dbraw/zinc/02/68/10/523026810.db2.gz ZZMZAKCONYTSHS-DEOSSOPVSA-N 0 0 435.480 1.982 50 0 IDAARN COc1ccc(-c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2OC)cc1 ZINC000012530482 523111583 /nfs/dbraw/zinc/11/15/83/523111583.db2.gz AKCHIHATTUFDCH-UHFFFAOYSA-N 0 0 449.467 1.757 50 0 IDAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)NCc1ccc(C)cc1 ZINC000033062659 523153783 /nfs/dbraw/zinc/15/37/83/523153783.db2.gz DZQQHRLEWJXWRL-UHFFFAOYSA-N 0 0 428.514 1.496 50 0 IDAARN COc1ccc(-c2csc(NC(=O)CN3CCN(CC(=O)NC4CC4)CC3)n2)cc1 ZINC000022791012 523167950 /nfs/dbraw/zinc/16/79/50/523167950.db2.gz JYIQFWSJMHSWEH-UHFFFAOYSA-N 0 0 429.546 1.653 50 0 IDAARN COCCCN(C(=O)Cc1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012776800 523194056 /nfs/dbraw/zinc/19/40/56/523194056.db2.gz CDVIQFHMGRPEID-UHFFFAOYSA-N 0 0 428.514 1.841 50 0 IDAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCN3CCOCC3)c(C)o2)cc1 ZINC000021368000 523210352 /nfs/dbraw/zinc/21/03/52/523210352.db2.gz KJHGWTMMMXQWPQ-UHFFFAOYSA-N 0 0 437.518 1.022 50 0 IDAARN COc1ccc(-c2nc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)sc2C)cc1 ZINC000012556901 523222410 /nfs/dbraw/zinc/22/24/10/523222410.db2.gz GQEUADWXHGRYQI-UHFFFAOYSA-N 0 0 440.485 1.513 50 0 IDAARN COC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1cccs1 ZINC000036754656 523272701 /nfs/dbraw/zinc/27/27/01/523272701.db2.gz AWDFNLMEHHICQI-MRXNPFEDSA-N 0 0 437.543 1.964 50 0 IDAARN CN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012784973 523308410 /nfs/dbraw/zinc/30/84/10/523308410.db2.gz OXZGUXNKWFRBDG-UHFFFAOYSA-N 0 0 436.509 1.322 50 0 IDAARN CCn1cc(C(=O)N2CC(=O)N(CC3CCOCC3)C[C@H](OCc3ccncc3)C2)cn1 ZINC000014747870 523325407 /nfs/dbraw/zinc/32/54/07/523325407.db2.gz HQCOSBYMRRPXQN-NRFANRHFSA-N 0 0 441.532 1.594 50 0 IDAARN COCCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033263438 523352683 /nfs/dbraw/zinc/35/26/83/523352683.db2.gz SAYGRPMSWVIMNH-CQSZACIVSA-N 0 0 431.518 1.795 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2F)n(C)c1=O ZINC000012231748 523390030 /nfs/dbraw/zinc/39/00/30/523390030.db2.gz CSEKUPKYIJJAOG-UHFFFAOYSA-N 0 0 440.435 1.060 50 0 IDAARN CC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O ZINC000021790381 523421226 /nfs/dbraw/zinc/42/12/26/523421226.db2.gz IRWKGJXBSKZILV-GOSISDBHSA-N 0 0 430.482 1.960 50 0 IDAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc2c(c1)OCO2 ZINC000021713774 523486394 /nfs/dbraw/zinc/48/63/94/523486394.db2.gz WPPZRMLKLORVAF-UHFFFAOYSA-N 0 0 447.451 1.795 50 0 IDAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)N[C@@H](C)C(=O)OC)CC3)ccc21 ZINC000021647419 523494257 /nfs/dbraw/zinc/49/42/57/523494257.db2.gz XHUAPMYLXSWCAZ-HNNXBMFYSA-N 0 0 436.534 1.629 50 0 IDAARN CCn1ccnc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1OC ZINC000012205140 523526555 /nfs/dbraw/zinc/52/65/55/523526555.db2.gz VVSRVLLGRWBYSO-QGZVFWFLSA-N 0 0 429.521 1.269 50 0 IDAARN COCCN(C(=O)CNc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012790536 523535571 /nfs/dbraw/zinc/53/55/71/523535571.db2.gz CMADHORAYZICIU-UHFFFAOYSA-N 0 0 437.500 1.567 50 0 IDAARN COCCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032994507 523553303 /nfs/dbraw/zinc/55/33/03/523553303.db2.gz FQUGXGGNYIVFHI-UHFFFAOYSA-N 0 0 443.504 1.195 50 0 IDAARN COC(=O)[C@@H](CCSC)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000012850945 523574817 /nfs/dbraw/zinc/57/48/17/523574817.db2.gz CLBVBMTUESGLDM-CQSZACIVSA-N 0 0 433.552 1.103 50 0 IDAARN COc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1 ZINC000023056882 523643378 /nfs/dbraw/zinc/64/33/78/523643378.db2.gz MRGVRJFKVOQKTP-WAIKUNEKSA-N 0 0 442.516 1.480 50 0 IDAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)C1CC1 ZINC000035706027 523646543 /nfs/dbraw/zinc/64/65/43/523646543.db2.gz DTICGSYSCJMTRO-UHFFFAOYSA-N 0 0 437.544 1.986 50 0 IDAARN CN1C(=O)c2cc(C(=O)NC3CCCC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876514 523728472 /nfs/dbraw/zinc/72/84/72/523728472.db2.gz GWKVXOVCQFDIBL-JOCHJYFZSA-N 0 0 427.480 1.855 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCCc3ccco3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876443 523729601 /nfs/dbraw/zinc/72/96/01/523729601.db2.gz GCZYTCLHLXINNQ-HSZRJFAPSA-N 0 0 435.484 1.609 50 0 IDAARN CN1C(=O)c2cc(C(=O)NC[C@@H]3CCCO3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875369 523730360 /nfs/dbraw/zinc/73/03/60/523730360.db2.gz GYGICOFXNMTZNI-AOMKIAJQSA-N 0 0 431.537 1.475 50 0 IDAARN CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1=O ZINC000012613675 523733654 /nfs/dbraw/zinc/73/36/54/523733654.db2.gz PGIXXDNMKDFCFK-QGZVFWFLSA-N 0 0 428.898 1.490 50 0 IDAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000012877959 523747063 /nfs/dbraw/zinc/74/70/63/523747063.db2.gz ZSWNWNNPTANCAL-QFIPXVFZSA-N 0 0 430.505 1.923 50 0 IDAARN COc1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012921824 523773849 /nfs/dbraw/zinc/77/38/49/523773849.db2.gz IGXIBHFFIINOPO-UHFFFAOYSA-N 0 0 445.453 1.985 50 0 IDAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1nc(-c2cccs2)oc1=O ZINC000013006462 523776051 /nfs/dbraw/zinc/77/60/51/523776051.db2.gz RCINUULJWUPDIT-UHFFFAOYSA-N 0 0 441.469 1.477 50 0 IDAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)NCc3ccccc3OC)S2(=O)=O)cc1 ZINC000035534629 523872145 /nfs/dbraw/zinc/87/21/45/523872145.db2.gz ZOQQTRAXVOALOU-UHFFFAOYSA-N 0 0 430.482 1.923 50 0 IDAARN COCCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020614657 523889120 /nfs/dbraw/zinc/88/91/20/523889120.db2.gz AXLQIEZKARLWSM-HNNXBMFYSA-N 0 0 430.935 1.795 50 0 IDAARN COCCNC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SCCC1=O ZINC000021090477 523894476 /nfs/dbraw/zinc/89/44/76/523894476.db2.gz SGDZPCMFDFKPKW-UHFFFAOYSA-N 0 0 427.548 1.063 50 0 IDAARN COc1ccc(CC(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)cc1 ZINC000021885910 523894914 /nfs/dbraw/zinc/89/49/14/523894914.db2.gz TZKQLRCDJUQIQD-UHFFFAOYSA-N 0 0 448.523 1.745 50 0 IDAARN COCCNC(=O)CNC(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000012748490 523895658 /nfs/dbraw/zinc/89/56/58/523895658.db2.gz NGIJAZYLTVJXKD-UHFFFAOYSA-N 0 0 428.514 1.702 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 ZINC000014997005 523900158 /nfs/dbraw/zinc/90/01/58/523900158.db2.gz RQAPUFMTHOYJHN-YCRPNKLZSA-N 0 0 436.530 1.798 50 0 IDAARN COc1ccc(CC(=O)NCCc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000012678213 523901729 /nfs/dbraw/zinc/90/17/29/523901729.db2.gz WQYQOCXDUTZGNA-UHFFFAOYSA-N 0 0 436.505 1.757 50 0 IDAARN COCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000036060885 523920215 /nfs/dbraw/zinc/92/02/15/523920215.db2.gz BDFITNPPYUXNGW-UXHICEINSA-N 0 0 448.541 1.871 50 0 IDAARN COCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1c1cccc(OC)c1OC ZINC000036055466 523920818 /nfs/dbraw/zinc/92/08/18/523920818.db2.gz OKLCDUTUPXRHNW-MOPGFXCFSA-N 0 0 448.541 1.871 50 0 IDAARN CN1CCN(c2cc(OCCNS(=O)(=O)c3cccc(Cl)c3Cl)ncn2)CC1 ZINC000035598402 523924296 /nfs/dbraw/zinc/92/42/96/523924296.db2.gz BDMGRBYYJRCCOY-UHFFFAOYSA-N 0 0 446.360 1.893 50 0 IDAARN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000242324394 523937738 /nfs/dbraw/zinc/93/77/38/523937738.db2.gz ZAZLUWBMUHIDEM-AQNXPRMDSA-N 0 0 426.941 1.728 50 0 IDAARN COc1ccc(CCN2C[C@@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)CC2=O)cc1OC ZINC000012531930 523950718 /nfs/dbraw/zinc/95/07/18/523950718.db2.gz JZIQJNXXBFXUFA-HNNXBMFYSA-N 0 0 449.504 1.262 50 0 IDAARN COC(=O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012751992 523952889 /nfs/dbraw/zinc/95/28/89/523952889.db2.gz JAQWUKMSRDGSES-MRXNPFEDSA-N 0 0 438.502 1.023 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000020737373 523953070 /nfs/dbraw/zinc/95/30/70/523953070.db2.gz QQOLCGKDWZVRMZ-UHFFFAOYSA-N 0 0 434.496 1.820 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1OC ZINC000020744222 523953918 /nfs/dbraw/zinc/95/39/18/523953918.db2.gz IUCHBOUNHNIBDA-UHFFFAOYSA-N 0 0 447.513 1.541 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000020287721 523954228 /nfs/dbraw/zinc/95/42/28/523954228.db2.gz CEMMMOHRRJMDMP-DYESRHJHSA-N 0 0 444.601 1.909 50 0 IDAARN COCCOC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)CC1 ZINC000012437796 523975578 /nfs/dbraw/zinc/97/55/78/523975578.db2.gz URCQNEFQFSHYKF-HXUWFJFHSA-N 0 0 441.594 1.873 50 0 IDAARN CC[C@H](C)NC(=O)Cn1cnc2nc(N3CCC[C@H](C(=O)NC(C)C)C3)sc2c1=O ZINC000035261256 523976985 /nfs/dbraw/zinc/97/69/85/523976985.db2.gz LVBWXAZOVIHPIN-KBPBESRZSA-N 0 0 434.566 1.509 50 0 IDAARN CC[C@H](C)NC(=O)Cn1cnc2nc(N3CCC[C@H](C(=O)NC4CC4)C3)sc2c1=O ZINC000035261260 523977002 /nfs/dbraw/zinc/97/70/02/523977002.db2.gz OREFMCFJGMIKNK-STQMWFEESA-N 0 0 432.550 1.263 50 0 IDAARN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000015943987 523995107 /nfs/dbraw/zinc/99/51/07/523995107.db2.gz FFGMKCRDRBRSQX-YOEHRIQHSA-N 0 0 431.514 1.936 50 0 IDAARN CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000012895501 524007172 /nfs/dbraw/zinc/00/71/72/524007172.db2.gz CCRCDWNICUVYLS-LJQANCHMSA-N 0 0 447.557 1.094 50 0 IDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)N[C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000035363840 524020164 /nfs/dbraw/zinc/02/01/64/524020164.db2.gz JBPHKLSPHJFFQO-SOGHBPRDSA-N 0 0 449.507 1.613 50 0 biogenic IDAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NCc1ccccn1 ZINC000020574779 524022009 /nfs/dbraw/zinc/02/20/09/524022009.db2.gz LZDROOHFTGZKAM-UHFFFAOYSA-N 0 0 438.465 1.760 50 0 IDAARN CO[C@H]1[C@H](NC(=O)c2ccccn2)c2ccccc2C12CCN(C(=O)Cn1cnnn1)CC2 ZINC000012279483 524022968 /nfs/dbraw/zinc/02/29/68/524022968.db2.gz RXWBGKRTOYHAAH-RTWAWAEBSA-N 0 0 447.499 1.128 50 0 IDAARN CN1N=C(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)CCC1=O ZINC000011817489 524029686 /nfs/dbraw/zinc/02/96/86/524029686.db2.gz PSLGJNLUMHJPPY-SFHVURJKSA-N 0 0 440.548 1.357 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cc(OC)ccc2OC)c(F)c1 ZINC000012613297 524035060 /nfs/dbraw/zinc/03/50/60/524035060.db2.gz OZYHLHQEPIDQGA-FQEVSTJZSA-N 0 0 445.491 1.858 50 0 IDAARN CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022851477 524039924 /nfs/dbraw/zinc/03/99/24/524039924.db2.gz OOSZCQNRABZPPB-GOSISDBHSA-N 0 0 428.464 1.280 50 0 IDAARN CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000022851599 524040003 /nfs/dbraw/zinc/04/00/03/524040003.db2.gz QIBYDYMXVUFFOB-GOSISDBHSA-N 0 0 428.464 1.280 50 0 IDAARN CNC(=O)C1CCN([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012334645 524049072 /nfs/dbraw/zinc/04/90/72/524049072.db2.gz HQLVRWDPRGEPKC-ZDUSSCGKSA-N 0 0 428.455 1.949 50 0 IDAARN COc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC ZINC000012691734 524052779 /nfs/dbraw/zinc/05/27/79/524052779.db2.gz ISJPCFBAGOXDRP-HZPDHXFCSA-N 0 0 430.457 1.205 50 0 IDAARN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 ZINC000020994229 524062660 /nfs/dbraw/zinc/06/26/60/524062660.db2.gz ZPTHMFJRWVQNGX-OAHLLOKOSA-N 0 0 445.497 1.847 50 0 IDAARN COc1ccc(CNC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)c(OC)c1 ZINC000021927322 524064467 /nfs/dbraw/zinc/06/44/67/524064467.db2.gz GTMRQHGQKFIUQM-OAHLLOKOSA-N 0 0 431.518 1.967 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)s1 ZINC000023141729 524075327 /nfs/dbraw/zinc/07/53/27/524075327.db2.gz SMCJONAEYQMXTA-UHFFFAOYSA-N 0 0 432.531 1.409 50 0 IDAARN CNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccccc4)c(=O)c3s2)C1 ZINC000033141067 524082114 /nfs/dbraw/zinc/08/21/14/524082114.db2.gz LTKLMRUHZIHHQM-CYBMUJFWSA-N 0 0 426.502 1.454 50 0 IDAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)n(N)c2=O)cc1 ZINC000012348176 524167675 /nfs/dbraw/zinc/16/76/75/524167675.db2.gz JVMVPXBAGFGZAX-UHFFFAOYSA-N 0 0 427.486 1.691 50 0 IDAARN COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)NCCC(C)C)C3)c1OC ZINC000034792691 524186263 /nfs/dbraw/zinc/18/62/63/524186263.db2.gz DRTSKMRVNQEZLS-LJQANCHMSA-N 0 0 430.505 1.659 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@H]3C2)c1 ZINC000014745786 524191304 /nfs/dbraw/zinc/19/13/04/524191304.db2.gz DELHRGPIHZYPPQ-VQTJNVASSA-N 0 0 441.553 1.588 50 0 IDAARN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1=O ZINC000012616156 524218609 /nfs/dbraw/zinc/21/86/09/524218609.db2.gz ZAAFHSCGNQMVOM-AWEZNQCLSA-N 0 0 434.924 1.124 50 0 IDAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)c1C ZINC000035268005 524251976 /nfs/dbraw/zinc/25/19/76/524251976.db2.gz YFNGNSUWGGHXIP-UHFFFAOYSA-N 0 0 438.594 1.851 50 0 IDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000011906102 524385679 /nfs/dbraw/zinc/38/56/79/524385679.db2.gz DBAZRYLQHARLDV-UHFFFAOYSA-N 0 0 428.463 1.379 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528729 524389447 /nfs/dbraw/zinc/38/94/47/524389447.db2.gz GDBCBSIJIQZSRP-OAQYLSRUSA-N 0 0 431.514 1.379 50 0 IDAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000020744300 524405420 /nfs/dbraw/zinc/40/54/20/524405420.db2.gz SOXNXYAFHATPTJ-UHFFFAOYSA-N 0 0 447.469 1.219 50 0 IDAARN Cc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000021528965 524428643 /nfs/dbraw/zinc/42/86/43/524428643.db2.gz OVYQCCIVFPCXBT-QFIPXVFZSA-N 0 0 447.532 1.813 50 0 IDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000035363843 524444351 /nfs/dbraw/zinc/44/43/51/524444351.db2.gz DUCJOSYWMDPMOJ-SOGHBPRDSA-N 0 0 449.507 1.613 50 0 biogenic IDAARN COc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 ZINC000017011520 524447175 /nfs/dbraw/zinc/44/71/75/524447175.db2.gz VPOFVGDOSRDAKT-ZBFHGGJFSA-N 0 0 432.502 1.551 50 0 IDAARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC(CN3CCCC3=O)CC2)cc1 ZINC000012586405 524462247 /nfs/dbraw/zinc/46/22/47/524462247.db2.gz OXISXMRUMCRUGQ-OAQYLSRUSA-N 0 0 426.561 1.547 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000012140269 524490745 /nfs/dbraw/zinc/49/07/45/524490745.db2.gz HBEWFLHWYQHGJO-INIZCTEOSA-N 0 0 437.543 1.226 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000020613966 524490885 /nfs/dbraw/zinc/49/08/85/524490885.db2.gz QRVBSBFUALAWQN-IBGZPJMESA-N 0 0 425.485 1.530 50 0 IDAARN Cc1cc(C)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 ZINC000012765872 524503946 /nfs/dbraw/zinc/50/39/46/524503946.db2.gz CYPDEHRIYZGVJH-UHFFFAOYSA-N 0 0 441.351 1.796 50 0 IDAARN Cc1ccc(CNC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 ZINC000035425719 524515629 /nfs/dbraw/zinc/51/56/29/524515629.db2.gz JHQQVEMZDHRTGB-UHFFFAOYSA-N 0 0 432.484 1.506 50 0 IDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1 ZINC000020575000 524534248 /nfs/dbraw/zinc/53/42/48/524534248.db2.gz IEHVZUCOVVXSEP-UHFFFAOYSA-N 0 0 426.433 1.777 50 0 IDAARN C[C@H]1CN(C(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000012779017 524542074 /nfs/dbraw/zinc/54/20/74/524542074.db2.gz SXFKDXCDPNNWBN-GJZGRUSLSA-N 0 0 428.489 1.739 50 0 IDAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2N)CC1 ZINC000012637484 524546347 /nfs/dbraw/zinc/54/63/47/524546347.db2.gz RDQTVUVUDSSXNR-UHFFFAOYSA-N 0 0 425.514 1.560 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000021529147 524553732 /nfs/dbraw/zinc/55/37/32/524553732.db2.gz VLQUXJVOQDKOFR-QFIPXVFZSA-N 0 0 447.532 1.813 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2Cc2ccc(C)cc2)cc1 ZINC000021529087 524554022 /nfs/dbraw/zinc/55/40/22/524554022.db2.gz BWTBGIZCLAXNEA-QHCPKHFHSA-N 0 0 443.569 1.982 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccccc2F)cc1 ZINC000021529072 524554639 /nfs/dbraw/zinc/55/46/39/524554639.db2.gz NUMRANMZIIAZKD-NRFANRHFSA-N 0 0 433.505 1.817 50 0 IDAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)o1 ZINC000021876397 524555859 /nfs/dbraw/zinc/55/58/59/524555859.db2.gz VBPVGCGQIULIMS-QHCPKHFHSA-N 0 0 435.484 1.875 50 0 IDAARN COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614188 524583874 /nfs/dbraw/zinc/58/38/74/524583874.db2.gz LCQDGJRPYHYQBQ-QGZVFWFLSA-N 0 0 427.457 1.552 50 0 IDAARN COc1ccccc1NC(=O)CSc1nnc(CCc2c(C)[nH]c(=O)n(C)c2=O)o1 ZINC000035597139 524599190 /nfs/dbraw/zinc/59/91/90/524599190.db2.gz MBYALFWAFSWSOJ-UHFFFAOYSA-N 0 0 431.474 1.290 50 0 IDAARN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 ZINC000014948716 524663136 /nfs/dbraw/zinc/66/31/36/524663136.db2.gz XCXQQYNFKYQEQI-KRWDZBQOSA-N 0 0 437.500 1.874 50 0 IDAARN COc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000012727435 524676899 /nfs/dbraw/zinc/67/68/99/524676899.db2.gz MZQVRKCLPLLKHD-UHFFFAOYSA-N 0 0 435.502 1.775 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c3c(nc2N2CCC[C@@H](C)C2)n(C)c(=O)n(C)c3=O)c1 ZINC000012289103 524766321 /nfs/dbraw/zinc/76/63/21/524766321.db2.gz QLUOCOAVABRVFQ-IAGOWNOFSA-N 0 0 441.532 1.418 50 0 IDAARN C[C@@H]1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C[C@H](C)O1 ZINC000012591134 524784216 /nfs/dbraw/zinc/78/42/16/524784216.db2.gz AKBLHPQDPWXGFG-CALCHBBNSA-N 0 0 446.525 1.958 50 0 IDAARN C[C@@H]1CN(C(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C[C@H](C)O1 ZINC000016047449 524789626 /nfs/dbraw/zinc/78/96/26/524789626.db2.gz JDOBSXMMOWCRCX-CALCHBBNSA-N 0 0 447.557 1.673 50 0 IDAARN COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000023107186 524845484 /nfs/dbraw/zinc/84/54/84/524845484.db2.gz KPPIMMZSMRVEBY-LJQANCHMSA-N 0 0 431.464 1.971 50 0 IDAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000021108676 524849243 /nfs/dbraw/zinc/84/92/43/524849243.db2.gz AQZZRTFPYZBEKX-UHFFFAOYSA-N 0 0 435.458 1.294 50 0 IDAARN Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 ZINC000014747505 524866448 /nfs/dbraw/zinc/86/64/48/524866448.db2.gz ZTLYDWXTAQVCKD-IHPCNDPISA-N 0 0 440.475 1.940 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=S)NC[C@H]3CCCO3)CC2)c1 ZINC000017096621 524877136 /nfs/dbraw/zinc/87/71/36/524877136.db2.gz LBISWAJOCKHUQR-OAHLLOKOSA-N 0 0 429.564 1.064 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)c1 ZINC000023817495 524877751 /nfs/dbraw/zinc/87/77/51/524877751.db2.gz ITRQQQBLPFVPAU-KRWDZBQOSA-N 0 0 436.530 1.450 50 0 IDAARN Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c(C)c1 ZINC000012447056 524922022 /nfs/dbraw/zinc/92/20/22/524922022.db2.gz LPVVNQGAQSWLEK-FQEVSTJZSA-N 0 0 427.526 1.942 50 0 IDAARN COc1ccc(OCC(=O)N2CCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)cc1 ZINC000035536819 524930815 /nfs/dbraw/zinc/93/08/15/524930815.db2.gz PENPYHKFRDRFHL-UHFFFAOYSA-N 0 0 444.532 1.908 50 0 IDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000035374785 524952718 /nfs/dbraw/zinc/95/27/18/524952718.db2.gz 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IDAARN O=C(CCC1CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1)NCc1ccc(F)cc1 ZINC000012314053 526409083 /nfs/dbraw/zinc/40/90/83/526409083.db2.gz VTCXNVXCBWJGTH-SFHVURJKSA-N 0 0 425.526 1.831 50 0 IDAARN O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1nccs1 ZINC000020735197 526415116 /nfs/dbraw/zinc/41/51/16/526415116.db2.gz DDNCOOWETDSQDZ-UHFFFAOYSA-N 0 0 440.522 1.924 50 0 IDAARN O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614157 526422835 /nfs/dbraw/zinc/42/28/35/526422835.db2.gz IDVPNAVKADJHGM-LJQANCHMSA-N 0 0 425.485 1.264 50 0 IDAARN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000012734821 526457252 /nfs/dbraw/zinc/45/72/52/526457252.db2.gz OGONTRAAZYXYTR-OAHLLOKOSA-N 0 0 435.452 1.924 50 0 IDAARN O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000021940569 526464188 /nfs/dbraw/zinc/46/41/88/526464188.db2.gz NIEVMLHRJGYHHW-IBGZPJMESA-N 0 0 431.489 1.854 50 0 IDAARN O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)C3CC3)CC2)N1C(=O)c1ccccc1 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526909226 /nfs/dbraw/zinc/90/92/26/526909226.db2.gz HIBGZAZYPBSJTG-UHFFFAOYSA-N 0 0 448.422 1.069 50 0 IDAARN O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000018377487 526909871 /nfs/dbraw/zinc/90/98/71/526909871.db2.gz ORASSPPOIQCKTA-SFHVURJKSA-N 0 0 429.448 1.915 50 0 IDAARN O=C(c1n[nH]c(=O)c2ccccc21)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012852146 526911599 /nfs/dbraw/zinc/91/15/99/526911599.db2.gz PIUNRLWWMUFRNI-UHFFFAOYSA-N 0 0 432.889 1.723 50 0 IDAARN O=C(c1n[nH]c2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012573244 526914691 /nfs/dbraw/zinc/91/46/91/526914691.db2.gz NOVKMRILYFJQDB-UHFFFAOYSA-N 0 0 442.497 1.871 50 0 IDAARN O=C(c1noc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc21)N1CCCCC1 ZINC000035461588 526930297 /nfs/dbraw/zinc/93/02/97/526930297.db2.gz IGUDUMFLWXGHRL-UHFFFAOYSA-N 0 0 435.502 1.982 50 0 IDAARN O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)N1CCC2(CC1)OCCO2 ZINC000032987722 526942110 /nfs/dbraw/zinc/94/21/10/526942110.db2.gz HATUZTINTJGPMW-UHFFFAOYSA-N 0 0 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527053148 /nfs/dbraw/zinc/05/31/48/527053148.db2.gz WDNUTSPLJWVYSR-UHFFFAOYSA-N 0 0 432.521 1.934 50 0 IDAARN Cn1c(SCCC(=O)NCc2ccc(F)c(Cl)c2)nc2c1n(C)c(=O)n(C)c2=O ZINC000033299897 527084366 /nfs/dbraw/zinc/08/43/66/527084366.db2.gz QQUBNYWADFSLLB-UHFFFAOYSA-N 0 0 439.900 1.562 50 0 IDAARN O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)N1CCC(Cc2ccccc2)CC1 ZINC000021704427 527084382 /nfs/dbraw/zinc/08/43/82/527084382.db2.gz OZBFSJWFAHJSFF-UHFFFAOYSA-N 0 0 441.513 1.541 50 0 IDAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)NC(=O)CN1CCCC1=O ZINC000012542994 527085991 /nfs/dbraw/zinc/08/59/91/527085991.db2.gz TUZKYJWMXSACQA-UHFFFAOYSA-N 0 0 442.545 1.615 50 0 IDAARN O=C(CSc1nnc(NC2CC2)s1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000021642943 527086397 /nfs/dbraw/zinc/08/63/97/527086397.db2.gz LGOHTQAQYOOGSZ-CHWSQXEVSA-N 0 0 432.593 1.399 50 0 IDAARN O=C(C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCCN1CCOCC1 ZINC000020765935 527096748 /nfs/dbraw/zinc/09/67/48/527096748.db2.gz FDOFONARKNSTDH-QGZVFWFLSA-N 0 0 441.937 1.791 50 0 IDAARN Cn1c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=O ZINC000012735746 527110560 /nfs/dbraw/zinc/11/05/60/527110560.db2.gz JETYXMVJCWXWLY-UHFFFAOYSA-N 0 0 432.477 1.012 50 0 IDAARN Cn1c2ccccc2n(CCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=O ZINC000012734932 527111975 /nfs/dbraw/zinc/11/19/75/527111975.db2.gz RNMIHWUKMNACSN-UHFFFAOYSA-N 0 0 446.504 1.402 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2c(=O)n(C)c1=O ZINC000033581266 527124388 /nfs/dbraw/zinc/12/43/88/527124388.db2.gz WLHIIIFTYGUDSH-UHFFFAOYSA-N 0 0 429.440 1.616 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000012385620 527153516 /nfs/dbraw/zinc/15/35/16/527153516.db2.gz WNUABNVIXVFQLO-QFIPXVFZSA-N 0 0 444.539 1.669 50 0 IDAARN O=S(=O)(CC1CC1)c1ncc(CN2CCN(c3cnccn3)CC2)n1C[C@H]1CCCO1 ZINC000020449857 527165003 /nfs/dbraw/zinc/16/50/03/527165003.db2.gz HOPFUHOOCZJPFX-LJQANCHMSA-N 0 0 446.577 1.358 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3F)CC2)cc1C(N)=O ZINC000012815742 527283026 /nfs/dbraw/zinc/28/30/26/527283026.db2.gz XTNYWOMLYAROIG-UHFFFAOYSA-N 0 0 442.900 1.956 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1C(=O)N1CCCC1 ZINC000035454511 527283083 /nfs/dbraw/zinc/28/30/83/527283083.db2.gz UMPZRWUILONALT-UHFFFAOYSA-N 0 0 436.578 1.674 50 0 IDAARN O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000012409218 527292859 /nfs/dbraw/zinc/29/28/59/527292859.db2.gz GLXZEYKUHGSWQI-UHFFFAOYSA-N 0 0 430.558 1.448 50 0 IDAARN NS(=O)(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 ZINC000012745657 527322886 /nfs/dbraw/zinc/32/28/86/527322886.db2.gz BGMYRVAKBLMERK-IBGZPJMESA-N 0 0 449.554 1.072 50 0 IDAARN O=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1 ZINC000014731574 527342185 /nfs/dbraw/zinc/34/21/85/527342185.db2.gz GKGWIISMKUOYNK-SZMVWBNQSA-N 0 0 428.876 1.878 50 0 IDAARN O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCc1ccccc1Cl ZINC000035450501 527349729 /nfs/dbraw/zinc/34/97/29/527349729.db2.gz VLFXOMDHCXWVDX-UHFFFAOYSA-N 0 0 435.871 1.971 50 0 IDAARN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000023074078 527367479 /nfs/dbraw/zinc/36/74/79/527367479.db2.gz FCFXIAUXWZKLSU-WBVHZDCISA-N 0 0 435.502 1.348 50 0 IDAARN Cn1cccc1-c1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCOCC1 ZINC000021644736 527383041 /nfs/dbraw/zinc/38/30/41/527383041.db2.gz SDLCQZSPBZWNTH-UHFFFAOYSA-N 0 0 428.537 1.244 50 0 IDAARN O=C(Cn1nc(C(=O)Nc2ccccc2)ccc1=O)N1CCN(c2ccccc2F)CC1 ZINC000041265986 527415438 /nfs/dbraw/zinc/41/54/38/527415438.db2.gz UPUYAEWMZMVRCO-UHFFFAOYSA-N 0 0 435.459 1.984 50 0 IDAARN O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)Nc1ccc2c(c1)OCO2 ZINC000035375585 527417128 /nfs/dbraw/zinc/41/71/28/527417128.db2.gz MCIBOFKBXCFWGE-UHFFFAOYSA-N 0 0 433.468 1.937 50 0 IDAARN Nc1c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000012567636 527424544 /nfs/dbraw/zinc/42/45/44/527424544.db2.gz SKEIBNCWOOXMGM-UHFFFAOYSA-N 0 0 425.474 1.417 50 0 IDAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCCN1CCOCC1 ZINC000020991726 527530928 /nfs/dbraw/zinc/53/09/28/527530928.db2.gz HBGVFCMAPSPNSL-UHFFFAOYSA-N 0 0 427.553 1.260 50 0 IDAARN Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 ZINC000033088155 527532533 /nfs/dbraw/zinc/53/25/33/527532533.db2.gz CYCDAILKRHUFPS-OAHLLOKOSA-N 0 0 432.444 1.265 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000022412358 527541163 /nfs/dbraw/zinc/54/11/63/527541163.db2.gz VXQARAXPNDMWEN-UHFFFAOYSA-N 0 0 434.543 1.957 50 0 IDAARN O=C(Nn1cnc2ccccc2c1=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000015599200 527542735 /nfs/dbraw/zinc/54/27/35/527542735.db2.gz RCFZQSWZAXPXBG-HNNXBMFYSA-N 0 0 428.470 1.238 50 0 IDAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023701874 527601320 /nfs/dbraw/zinc/60/13/20/527601320.db2.gz YVDPVLSKRMMAKO-KZSQQDEKSA-N 0 0 440.949 1.846 50 0 IDAARN O=C(/C=C/c1ccc(Br)cc1)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000030207000 527604364 /nfs/dbraw/zinc/60/43/64/527604364.db2.gz WCSALRYZFZMDER-VMPITWQZSA-N 0 0 428.352 1.947 50 0 IDAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012920993 527618823 /nfs/dbraw/zinc/61/88/23/527618823.db2.gz ZCWIRMLSQYQDQT-UHFFFAOYSA-N 0 0 430.574 1.991 50 0 IDAARN O=C(NCCCN1CCCC1=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000020930986 527661665 /nfs/dbraw/zinc/66/16/65/527661665.db2.gz DHKZNANZGMCHBU-UHFFFAOYSA-N 0 0 439.564 1.898 50 0 IDAARN O=C(NCCCN1CCOCC1)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000023805078 527673299 /nfs/dbraw/zinc/67/32/99/527673299.db2.gz FKJQYEWLBUXRJE-NRFANRHFSA-N 0 0 425.485 1.917 50 0 IDAARN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O ZINC000013038041 535267461 /nfs/dbraw/zinc/26/74/61/535267461.db2.gz NQJRMKQIXWAKOE-UHFFFAOYSA-N 0 0 430.461 1.404 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)s1 ZINC000009942541 535631602 /nfs/dbraw/zinc/63/16/02/535631602.db2.gz UTVAXHWNFBLRNM-UHFFFAOYSA-N 0 0 438.579 1.600 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(=O)[nH]c2)c1 ZINC000009714710 535633872 /nfs/dbraw/zinc/63/38/72/535633872.db2.gz XRONNTPRUDZRPB-UHFFFAOYSA-N 0 0 434.518 1.494 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(OC)c2)n(C)c1=O ZINC000009518973 535762667 /nfs/dbraw/zinc/76/26/67/535762667.db2.gz VSGCIPTZGRUSKM-CYBMUJFWSA-N 0 0 427.461 1.256 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(CC)cc2)n(C)c1=O ZINC000008653903 535762687 /nfs/dbraw/zinc/76/26/87/535762687.db2.gz KUEMEEPYQITPHK-AWEZNQCLSA-N 0 0 425.489 1.810 50 0 IDAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000009831700 535778882 /nfs/dbraw/zinc/77/88/82/535778882.db2.gz LMZPHUFKAHKEOW-UHFFFAOYSA-N 0 0 432.908 1.541 50 0 IDAARN CCn1nnc2c1ncnc2N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 ZINC000013533537 535919500 /nfs/dbraw/zinc/91/95/00/535919500.db2.gz FATKUCQYZZQQOK-QGZVFWFLSA-N 0 0 448.531 1.560 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000009984245 536112558 /nfs/dbraw/zinc/11/25/58/536112558.db2.gz AVYFOLOALHVTKZ-UHFFFAOYSA-N 0 0 447.513 1.432 50 0 IDAARN CNC(=O)[C@H]1CN(C(=O)COC(=O)c2nn(-c3ccccc3)nc2C)c2ccccc2O1 ZINC000010377940 536395954 /nfs/dbraw/zinc/39/59/54/536395954.db2.gz HDTVXZVMPLCELD-GOSISDBHSA-N 0 0 435.440 1.273 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000625761 555512404 /nfs/dbraw/zinc/51/24/04/555512404.db2.gz LKDAIIBQGRVJMS-SFHVURJKSA-N 0 0 449.511 1.794 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000629395 555514065 /nfs/dbraw/zinc/51/40/65/555514065.db2.gz FETCBGZRWUBUOL-CQSZACIVSA-N 0 0 425.445 1.377 50 0 biogenic IDAARN Cn1c2nc(NC[C@H]3CCCO3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000000641018 555518367 /nfs/dbraw/zinc/51/83/67/555518367.db2.gz OFCXDXRRFOYHER-CQSZACIVSA-N 0 0 448.321 1.835 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000000644403 555519745 /nfs/dbraw/zinc/51/97/45/555519745.db2.gz JVVQYIRTRSUEHG-UHFFFAOYSA-N 0 0 437.543 1.649 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000000686825 555540160 /nfs/dbraw/zinc/54/01/60/555540160.db2.gz RFFNMZPRMQWCDH-UHFFFAOYSA-N 0 0 425.532 1.518 50 0 IDAARN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000000803390 555559596 /nfs/dbraw/zinc/55/95/96/555559596.db2.gz UIMHNRIPBBXLLY-KRWDZBQOSA-N 0 0 432.498 1.948 50 0 IDAARN Cn1c2nc(N3CCOCC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000000832595 555566593 /nfs/dbraw/zinc/56/65/93/555566593.db2.gz JCFLDXXOLMIRIQ-UHFFFAOYSA-N 0 0 434.294 1.081 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000000899586 555580904 /nfs/dbraw/zinc/58/09/04/555580904.db2.gz KITISJXJYZHILD-UHFFFAOYSA-N 0 0 441.506 1.479 50 0 IDAARN Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000920358 555584365 /nfs/dbraw/zinc/58/43/65/555584365.db2.gz WLDNZBQSLLKTCF-UHFFFAOYSA-N 0 0 449.536 1.969 50 0 IDAARN COC(=O)c1sccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1F ZINC000001033589 555607000 /nfs/dbraw/zinc/60/70/00/555607000.db2.gz NPDQVUZEXJXIKH-CQSZACIVSA-N 0 0 437.424 1.782 50 0 IDAARN COC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(F)cc2F)c1 ZINC000001034181 555607377 /nfs/dbraw/zinc/60/73/77/555607377.db2.gz PDYVYXAFPJTWSQ-QGZVFWFLSA-N 0 0 431.395 1.721 50 0 IDAARN Cn1c2nc(NCc3ccccc3)n(CC(=O)NCc3ccccc3)c2c(=O)n(C)c1=O ZINC000001409318 555694033 /nfs/dbraw/zinc/69/40/33/555694033.db2.gz UVFDHSWWOYQECM-UHFFFAOYSA-N 0 0 432.484 1.362 50 0 IDAARN CCNC(=O)N1CCc2c(cccc2-n2nnc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)C1 ZINC000071889496 555725418 /nfs/dbraw/zinc/72/54/18/555725418.db2.gz OOCMOZYJQZNEAV-GJZGRUSLSA-N 0 0 426.521 1.913 50 0 IDAARN COc1ccc(OC[C@H](O)CN2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1 ZINC000034677021 555795038 /nfs/dbraw/zinc/79/50/38/555795038.db2.gz JCJMRVVRZPMFPZ-GOSISDBHSA-N 0 0 446.548 1.627 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnnn3-c3ccccc3)C2)cc1 ZINC000002806505 555826691 /nfs/dbraw/zinc/82/66/91/555826691.db2.gz OAHBWFIWPIFQOW-UHFFFAOYSA-N 0 0 444.542 1.553 50 0 IDAARN CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1ccc(F)cc1)(C(F)(F)F)C(=O)N2 ZINC000002863660 555846477 /nfs/dbraw/zinc/84/64/77/555846477.db2.gz ZLQIBCZNLNQHJZ-KRWDZBQOSA-N 0 0 428.342 1.471 50 0 IDAARN CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000002886099 555858134 /nfs/dbraw/zinc/85/81/34/555858134.db2.gz XHIRGVIEXLICHX-UHFFFAOYSA-N 0 0 441.531 1.300 50 0 IDAARN COCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000002995373 555876052 /nfs/dbraw/zinc/87/60/52/555876052.db2.gz IGLNQABQZPWLGR-UHFFFAOYSA-N 0 0 438.477 1.945 50 0 IDAARN O=C(c1nnc(N2CCCCC2)c2ccccc21)N1CCN(CCN2CCOCC2)CC1 ZINC000034837268 555914575 /nfs/dbraw/zinc/91/45/75/555914575.db2.gz APCXBHCIUYSJPD-UHFFFAOYSA-N 0 0 438.576 1.710 50 0 IDAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 ZINC000034918685 555930785 /nfs/dbraw/zinc/93/07/85/555930785.db2.gz 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O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000032784384 556349663 /nfs/dbraw/zinc/34/96/63/556349663.db2.gz VHVZENUDBPNIMJ-YLJYHZDGSA-N 0 0 443.500 1.951 50 0 IDAARN COc1ncccc1CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000032787208 556350113 /nfs/dbraw/zinc/35/01/13/556350113.db2.gz VXUJCCVXHVYMEF-UHFFFAOYSA-N 0 0 428.308 1.838 50 0 IDAARN NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000004489444 556352461 /nfs/dbraw/zinc/35/24/61/556352461.db2.gz FTPBBZJUEIZJPC-UHFFFAOYSA-N 0 0 430.368 1.944 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000032794475 556355156 /nfs/dbraw/zinc/35/51/56/556355156.db2.gz GSKAKSSNEMWCJI-UHFFFAOYSA-N 0 0 428.507 1.920 50 0 IDAARN O=C(Nc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1)c1cccs1 ZINC000014021071 556356743 /nfs/dbraw/zinc/35/67/43/556356743.db2.gz KYAZWGNKKRZBCP-QGZVFWFLSA-N 0 0 433.555 1.945 50 0 IDAARN CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)c1cccs1 ZINC000014044500 556358558 /nfs/dbraw/zinc/35/85/58/556358558.db2.gz QTYXVQXSJGZTNP-CQSZACIVSA-N 0 0 427.573 1.910 50 0 IDAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C ZINC000014069580 556360388 /nfs/dbraw/zinc/36/03/88/556360388.db2.gz BAWHWPPPTMFRGG-KRWDZBQOSA-N 0 0 428.576 1.188 50 0 IDAARN CCN(CC)C(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000014094707 556366459 /nfs/dbraw/zinc/36/64/59/556366459.db2.gz UBQXEBWQGXOPIC-INIZCTEOSA-N 0 0 433.534 1.963 50 0 IDAARN CCN(CC)C(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)n2C[C@H]2CCCO2)cc1 ZINC000014094708 556366602 /nfs/dbraw/zinc/36/66/02/556366602.db2.gz UBQXEBWQGXOPIC-MRXNPFEDSA-N 0 0 433.534 1.963 50 0 IDAARN Cn1c(Cc2cccs2)nnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 ZINC000014095477 556367226 /nfs/dbraw/zinc/36/72/26/556367226.db2.gz OSEWYEFDCXBYGK-UHFFFAOYSA-N 0 0 433.559 1.747 50 0 IDAARN O=C(CNC(=O)Cc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000014115744 556370870 /nfs/dbraw/zinc/37/08/70/556370870.db2.gz SKGKXYPMXKGRNM-UHFFFAOYSA-N 0 0 429.542 1.836 50 0 IDAARN O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000014116417 556370904 /nfs/dbraw/zinc/37/09/04/556370904.db2.gz WXTWTNSBZNJMGQ-HNNXBMFYSA-N 0 0 425.938 1.412 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)Nc2c3ccccc3oc2C(=O)N2CCOCC2)CC1 ZINC000014118077 556371185 /nfs/dbraw/zinc/37/11/85/556371185.db2.gz RSQGICPUKYDPMP-UHFFFAOYSA-N 0 0 435.502 1.515 50 0 IDAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000014129252 556374473 /nfs/dbraw/zinc/37/44/73/556374473.db2.gz RLWFHUSIQTXCSI-HNNXBMFYSA-N 0 0 433.486 1.288 50 0 IDAARN O=C(Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000014136010 556375157 /nfs/dbraw/zinc/37/51/57/556375157.db2.gz XSRRELSAKYXQOF-UHFFFAOYSA-N 0 0 449.463 1.728 50 0 IDAARN O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014140143 556376078 /nfs/dbraw/zinc/37/60/78/556376078.db2.gz YNSMVGAGYUPQIT-LJQANCHMSA-N 0 0 439.541 1.425 50 0 IDAARN CSCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000014140397 556376484 /nfs/dbraw/zinc/37/64/84/556376484.db2.gz ZVHNQCZQBTWLSR-SNVBAGLBSA-N 0 0 441.000 1.024 50 0 IDAARN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000014158159 556377788 /nfs/dbraw/zinc/37/77/88/556377788.db2.gz ZUNZBOOZDMWLFO-UHFFFAOYSA-N 0 0 444.440 1.695 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2nc(C)c(C)s2)c(OC)c1 ZINC000012026387 556387781 /nfs/dbraw/zinc/38/77/81/556387781.db2.gz HHTKNEPNXHSZPD-GOSISDBHSA-N 0 0 446.573 1.827 50 0 IDAARN CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 ZINC000014197230 556388757 /nfs/dbraw/zinc/38/87/57/556388757.db2.gz VSTCBTOSJQQXOV-UHFFFAOYSA-N 0 0 448.545 1.450 50 0 IDAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)OCC)CC1 ZINC000014197569 556389176 /nfs/dbraw/zinc/38/91/76/556389176.db2.gz RKTNKFGYHMPOFH-UHFFFAOYSA-N 0 0 429.477 1.762 50 0 IDAARN CCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1OC ZINC000014198756 556389893 /nfs/dbraw/zinc/38/98/93/556389893.db2.gz YZUJAVOYXGWKRX-UHFFFAOYSA-N 0 0 434.443 1.989 50 0 IDAARN CN(Cc1ccsc1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O ZINC000014199494 556390320 /nfs/dbraw/zinc/39/03/20/556390320.db2.gz QEQHXLHGLNHRKM-UHFFFAOYSA-N 0 0 437.543 1.669 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cn1nc(C)c2ccccc2c1=O ZINC000014213702 556393061 /nfs/dbraw/zinc/39/30/61/556393061.db2.gz DHZVJRIRGZMJBZ-QGZVFWFLSA-N 0 0 429.546 1.967 50 0 IDAARN CO[C@H]1CCCN(C(=O)c2cccc(OC3CCN(S(=O)(=O)N(C)C)CC3)c2)C1 ZINC000012073377 556396418 /nfs/dbraw/zinc/39/64/18/556396418.db2.gz FUFZLMWAIYKVHL-IBGZPJMESA-N 0 0 425.551 1.587 50 0 IDAARN CO[C@@H]1CCCN(C(=O)c2cccc(OC3CCN(S(=O)(=O)N(C)C)CC3)c2)C1 ZINC000012073374 556396521 /nfs/dbraw/zinc/39/65/21/556396521.db2.gz FUFZLMWAIYKVHL-LJQANCHMSA-N 0 0 425.551 1.587 50 0 IDAARN O=C(NCCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)CC2)C1CCCCC1 ZINC000012079778 556398660 /nfs/dbraw/zinc/39/86/60/556398660.db2.gz KHBTXVYDACEHRE-UHFFFAOYSA-N 0 0 439.516 1.944 50 0 IDAARN O=C(NCCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000014239480 556400571 /nfs/dbraw/zinc/40/05/71/556400571.db2.gz RQAXFFSQBVVKKG-UHFFFAOYSA-N 0 0 432.498 1.451 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)cc1 ZINC000014244136 556403785 /nfs/dbraw/zinc/40/37/85/556403785.db2.gz BVJJGHQFDQVVTH-UHFFFAOYSA-N 0 0 434.543 1.194 50 0 IDAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000014244815 556404419 /nfs/dbraw/zinc/40/44/19/556404419.db2.gz REHMFTYTJJKYSF-CQSZACIVSA-N 0 0 428.466 1.408 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cn3nnc(-c4ccccc4)n3)CC2)c1 ZINC000014245593 556405576 /nfs/dbraw/zinc/40/55/76/556405576.db2.gz NRGHHMVOWYPLOL-UHFFFAOYSA-N 0 0 444.517 1.321 50 0 IDAARN C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014246369 556406291 /nfs/dbraw/zinc/40/62/91/556406291.db2.gz XNUFIFBXXOCJEN-SECBINFHSA-N 0 0 426.834 1.900 50 0 IDAARN C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014246370 556406296 /nfs/dbraw/zinc/40/62/96/556406296.db2.gz XNUFIFBXXOCJEN-VIFPVBQESA-N 0 0 426.834 1.900 50 0 IDAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000014246488 556406326 /nfs/dbraw/zinc/40/63/26/556406326.db2.gz SNXKIOGTPFBIHQ-UHFFFAOYSA-N 0 0 433.512 1.268 50 0 IDAARN Cc1csc(CC(=O)N2CCN(C(=O)CCN3C(=O)COc4ccccc43)CC2)n1 ZINC000014246619 556406568 /nfs/dbraw/zinc/40/65/68/556406568.db2.gz RXAMVYMVCSWYDF-UHFFFAOYSA-N 0 0 428.514 1.481 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnc2ccc(F)cc2c1O ZINC000032606405 556406630 /nfs/dbraw/zinc/40/66/30/556406630.db2.gz OGHUPSPQQBUJQB-UHFFFAOYSA-N 0 0 431.445 1.940 50 0 IDAARN C[C@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000014247087 556406895 /nfs/dbraw/zinc/40/68/95/556406895.db2.gz IJRFEJKOBHOVKQ-AWEZNQCLSA-N 0 0 426.425 1.779 50 0 IDAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2)n(C2CCCC2)c1=S ZINC000032594353 556407725 /nfs/dbraw/zinc/40/77/25/556407725.db2.gz HJKQNVULGADNMX-HGJKNBTDSA-N 0 0 448.545 1.312 50 0 biogenic IDAARN Cn1c2nc(SCCN3CCOCC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000032815347 556407727 /nfs/dbraw/zinc/40/77/27/556407727.db2.gz RQMADEYQXOZJTL-UHFFFAOYSA-N 0 0 443.573 1.491 50 0 IDAARN O=C([C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)N1CCN(Cc2ccccn2)CC1 ZINC000032823377 556407984 /nfs/dbraw/zinc/40/79/84/556407984.db2.gz CJAYATVHYPAZTB-UXHICEINSA-N 0 0 428.533 1.708 50 0 IDAARN O=C([C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N1CCN(Cc2ccccn2)CC1 ZINC000032823378 556408012 /nfs/dbraw/zinc/40/80/12/556408012.db2.gz CJAYATVHYPAZTB-WOJBJXKFSA-N 0 0 428.533 1.708 50 0 IDAARN O=C(CN1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1)Nc1ccc(F)cc1 ZINC000014249876 556408400 /nfs/dbraw/zinc/40/84/00/556408400.db2.gz UOFAXXCSZZEVNH-UHFFFAOYSA-N 0 0 426.448 1.334 50 0 IDAARN CCOC(=O)C1CCN(C(=O)Cn2nc3c(N4CCCCCC4)nccn3c2=O)CC1 ZINC000065151656 556411166 /nfs/dbraw/zinc/41/11/66/556411166.db2.gz OJQOOVSVDNMPDW-UHFFFAOYSA-N 0 0 430.509 1.073 50 0 IDAARN CN(Cc1ccccc1Br)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000032826469 556411179 /nfs/dbraw/zinc/41/11/79/556411179.db2.gz VWYYQWVYEJEGEU-KGLIPLIRSA-N 0 0 429.336 1.443 50 0 IDAARN O=C(CCn1ncc(=O)c2ccccc21)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000032820290 556412187 /nfs/dbraw/zinc/41/21/87/556412187.db2.gz RNVBODYRBVHZOX-JOCHJYFZSA-N 0 0 448.479 1.440 50 0 IDAARN O=C(c1cc(F)cc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032646404 556412476 /nfs/dbraw/zinc/41/24/76/556412476.db2.gz BFRNNOKZYZXHPA-UHFFFAOYSA-N 0 0 434.428 1.087 50 0 IDAARN CCc1cccc(OC[C@@H](O)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000004370907 556413002 /nfs/dbraw/zinc/41/30/02/556413002.db2.gz MAKSUMATINUOPC-INIZCTEOSA-N 0 0 427.505 1.416 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000004386246 556413583 /nfs/dbraw/zinc/41/35/83/556413583.db2.gz QBIJBYPTIJFGJP-MRXNPFEDSA-N 0 0 427.505 1.916 50 0 IDAARN COc1ccc(C(C)=O)cc1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000032674730 556415298 /nfs/dbraw/zinc/41/52/98/556415298.db2.gz JGRSRCDJZCTDAA-QFIPXVFZSA-N 0 0 438.480 1.951 50 0 IDAARN COC(=O)c1ccc(C(=O)N2CC(=O)N(Cc3ccc(OC)cc3)C[C@H](OC)C2)cc1 ZINC000014530381 556419889 /nfs/dbraw/zinc/41/98/89/556419889.db2.gz IARAAYGRIBLGDW-FQEVSTJZSA-N 0 0 426.469 1.981 50 0 IDAARN Cc1nnc(CC(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3cccnc3)C2)[nH]1 ZINC000014531424 556420634 /nfs/dbraw/zinc/42/06/34/556420634.db2.gz AZCAPCQMYKXYQA-IBGZPJMESA-N 0 0 426.521 1.640 50 0 IDAARN COc1ccc(C[C@@H]2NC(=O)[C@H]3CN(C(=O)c4cccc(Cl)c4)CCN3C2=O)cc1 ZINC000014532136 556420989 /nfs/dbraw/zinc/42/09/89/556420989.db2.gz AUTUXPKLJXPHOY-RBUKOAKNSA-N 0 0 427.888 1.743 50 0 IDAARN COc1ccc(CN2C[C@@H](OCc3ccncc3)CN(C(=O)[C@H]3CCOC3)CC2=O)cc1 ZINC000014533691 556422183 /nfs/dbraw/zinc/42/21/83/556422183.db2.gz RWUOJHUXPIBDRE-RBBKRZOGSA-N 0 0 439.512 1.883 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 ZINC000012980743 556424161 /nfs/dbraw/zinc/42/41/61/556424161.db2.gz OSWYMHGVXWEWPV-NRFANRHFSA-N 0 0 429.498 1.709 50 0 IDAARN O=C(CCCNC(=O)c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012982612 556425050 /nfs/dbraw/zinc/42/50/50/556425050.db2.gz XPNYHMBOIWWWTC-UHFFFAOYSA-N 0 0 439.534 1.930 50 0 IDAARN Cn1cc(CN2C[C@H](OCc3ccncc3)CN(C(=O)c3ccsc3)CC2=O)cn1 ZINC000014541483 556425539 /nfs/dbraw/zinc/42/55/39/556425539.db2.gz CQDGNDNPZKLVFS-IBGZPJMESA-N 0 0 425.514 1.947 50 0 IDAARN O=C(NCc1cccc(F)c1)N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1 ZINC000014542091 556426128 /nfs/dbraw/zinc/42/61/28/556426128.db2.gz WZECEQKPTLLUHT-UFYCRDLUSA-N 0 0 440.475 1.310 50 0 IDAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1S(N)(=O)=O ZINC000013002913 556434124 /nfs/dbraw/zinc/43/41/24/556434124.db2.gz PCONTGYNNDXGQG-NSHDSACASA-N 0 0 449.510 1.871 50 0 IDAARN O=C(CSC(=S)N1CCCC1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000013004786 556434462 /nfs/dbraw/zinc/43/44/62/556434462.db2.gz UIAFSPCSSKKKDN-UHFFFAOYSA-N 0 0 431.580 1.773 50 0 IDAARN Cc1cc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)ccc1N1CCCC1 ZINC000032858258 556434471 /nfs/dbraw/zinc/43/44/71/556434471.db2.gz MJEMYWQKLIODEE-POAQFYNOSA-N 0 0 434.562 1.941 50 0 IDAARN CCCCn1c(N)c(N(CCC)C(=O)CCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O ZINC000013004049 556434530 /nfs/dbraw/zinc/43/45/30/556434530.db2.gz VKBJWPXYEDDVDP-UHFFFAOYSA-N 0 0 440.504 1.531 50 0 IDAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc2c(c1)NC(=O)CS2 ZINC000013016175 556437970 /nfs/dbraw/zinc/43/79/70/556437970.db2.gz CLGWSCKZGXDWRE-UHFFFAOYSA-N 0 0 449.510 1.710 50 0 IDAARN CCCCn1c2nc(COC(=O)CNC(=O)c3ccccc3)n(CCC)c2c(=O)[nH]c1=O ZINC000011027019 556441656 /nfs/dbraw/zinc/44/16/56/556441656.db2.gz ICAYSFKIMZKGPT-UHFFFAOYSA-N 0 0 441.488 1.570 50 0 IDAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000013029034 556441930 /nfs/dbraw/zinc/44/19/30/556441930.db2.gz PSUUWIYTOIGZOK-OAHLLOKOSA-N 0 0 447.488 1.838 50 0 IDAARN COc1ccc(OCCOC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000032957402 556441896 /nfs/dbraw/zinc/44/18/96/556441896.db2.gz WKQKDWUAGUSFNI-UHFFFAOYSA-N 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CN(CC(=O)NCc1ccco1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000013040886 556446914 /nfs/dbraw/zinc/44/69/14/556446914.db2.gz SRBDWHNMFNBFAT-HSZRJFAPSA-N 0 0 438.484 1.310 50 0 IDAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000013041780 556447835 /nfs/dbraw/zinc/44/78/35/556447835.db2.gz KYGQHFSUKXKKNQ-KKSFZXQISA-N 0 0 435.546 1.397 50 0 IDAARN COc1ccc(C(C)=O)cc1CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013042533 556448481 /nfs/dbraw/zinc/44/84/81/556448481.db2.gz XVUJHPMHMFGBFE-UHFFFAOYSA-N 0 0 436.468 1.584 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000013057902 556449482 /nfs/dbraw/zinc/44/94/82/556449482.db2.gz YFDOLTJSSJSINL-FQEVSTJZSA-N 0 0 430.486 1.343 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(CN1CCN(C(=O)[C@H]3COc4ccccc4O3)CC1)C2=O ZINC000013059127 556450176 /nfs/dbraw/zinc/45/01/76/556450176.db2.gz ZFSAVJLWRDLRAX-VCDSYBKSSA-N 0 0 442.516 1.429 50 0 IDAARN Cc1ccc(OCC(=O)O[C@H](CN2C(=O)c3ccccc3C2=O)CN2CCOCC2)cc1 ZINC000028293204 556451060 /nfs/dbraw/zinc/45/10/60/556451060.db2.gz UVDMPAYAIKZEGX-IBGZPJMESA-N 0 0 438.480 1.914 50 0 IDAARN CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000013069135 556452567 /nfs/dbraw/zinc/45/25/67/556452567.db2.gz LYJUWEWDPMHXSB-KRWDZBQOSA-N 0 0 428.576 1.756 50 0 IDAARN O=C(Cn1cc(NC(=O)c2ccccn2)cn1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000014881994 556454130 /nfs/dbraw/zinc/45/41/30/556454130.db2.gz DKSDVPGTBHRXMI-UHFFFAOYSA-N 0 0 436.447 1.541 50 0 IDAARN Cn1c(C[C@H]2CCS(=O)(=O)C2)nn(CN2CCN(C(=O)OC(C)(C)C)CC2)c1=S ZINC000032869481 556457706 /nfs/dbraw/zinc/45/77/06/556457706.db2.gz VGGQMUCHVBREFJ-CQSZACIVSA-N 0 0 445.611 1.438 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(S(=O)(=O)c3cccs3)CC2)C1=O ZINC000013097700 556458544 /nfs/dbraw/zinc/45/85/44/556458544.db2.gz ANPBDXKVACGQMF-LJQANCHMSA-N 0 0 434.543 1.479 50 0 IDAARN Cc1cc(C(=O)OC[C@H](O)[C@H](O)[C@@H](O)c2cnn(-c3ccccc3)n2)c2ccccc2n1 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CCOC(=O)C1=C(COC(=O)CCc2c(C)nc3cc(C)nn3c2C)NC(=O)N[C@H]1C ZINC000013127423 556476135 /nfs/dbraw/zinc/47/61/35/556476135.db2.gz IXACLKVANIRHKU-ZDUSSCGKSA-N 0 0 429.477 1.649 50 0 IDAARN COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1OC ZINC000029520116 556477043 /nfs/dbraw/zinc/47/70/43/556477043.db2.gz SXCXWVIEOBYIFV-UHFFFAOYSA-N 0 0 434.514 1.934 50 0 IDAARN O=C(Cn1ncc(=O)c2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013128663 556478152 /nfs/dbraw/zinc/47/81/52/556478152.db2.gz KDDFXDFCNAUQJX-UHFFFAOYSA-N 0 0 444.488 1.459 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000013130564 556479819 /nfs/dbraw/zinc/47/98/19/556479819.db2.gz PIUVWOBEZVAVEV-UHFFFAOYSA-N 0 0 433.486 1.722 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)n(C)c1 ZINC000029689508 556480107 /nfs/dbraw/zinc/48/01/07/556480107.db2.gz PZBQPPUGDVPUHJ-UHFFFAOYSA-N 0 0 443.323 1.373 50 0 IDAARN CCN(C(=O)CSc1nc2ccccc2c(=O)n1CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000013132837 556481038 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RNNPXLFPHHDHQM-LBPRGKRZSA-N 0 0 447.435 1.634 50 0 IDAARN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000013564828 556518614 /nfs/dbraw/zinc/51/86/14/556518614.db2.gz UABZIKDESHEDDS-UHFFFAOYSA-N 0 0 433.486 1.960 50 0 IDAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000015321199 556520737 /nfs/dbraw/zinc/52/07/37/556520737.db2.gz MYWCWFQSYFABBN-UHFFFAOYSA-N 0 0 434.452 1.865 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c(C)c1 ZINC000015323835 556521316 /nfs/dbraw/zinc/52/13/16/556521316.db2.gz WJSRUQYSUHDIRM-UHFFFAOYSA-N 0 0 441.509 1.433 50 0 IDAARN Cn1cc(S(=O)(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)n(C)c1=O ZINC000015327809 556521825 /nfs/dbraw/zinc/52/18/25/556521825.db2.gz MIOQWWGPPRCZCE-UHFFFAOYSA-N 0 0 434.857 1.736 50 0 IDAARN COc1cc(C)cc2oc(=O)c(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)c12 ZINC000013574115 556524477 /nfs/dbraw/zinc/52/44/77/556524477.db2.gz MWXGYPKOJKQDCA-UHFFFAOYSA-N 0 0 444.509 1.967 50 0 IDAARN COc1ccccc1/C=C1\SC(=O)N(CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000013574451 556524614 /nfs/dbraw/zinc/52/46/14/556524614.db2.gz AYQWDWWUXMGRNN-HNDQUVLASA-N 0 0 438.527 1.767 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000013575145 556525303 /nfs/dbraw/zinc/52/53/03/556525303.db2.gz BRHWZDNYISBXQS-WJQTUHTMSA-N 0 0 426.491 1.898 50 0 IDAARN CNC(=O)Nc1cccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 ZINC000015415542 556526821 /nfs/dbraw/zinc/52/68/21/556526821.db2.gz CEPONMZLWLCCDN-QGZVFWFLSA-N 0 0 437.460 1.728 50 0 biogenic IDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N(C)C)c1)N(C)CC3)OCO2 ZINC000015415338 556526871 /nfs/dbraw/zinc/52/68/71/556526871.db2.gz HPRYQYFPGAOVAT-GOSISDBHSA-N 0 0 436.472 1.679 50 0 biogenic IDAARN CCCCn1c(N)c(N(C)C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(=O)[nH]c1=O ZINC000015605282 556537330 /nfs/dbraw/zinc/53/73/30/556537330.db2.gz QFWTYFSGUTUDDQ-UHFFFAOYSA-N 0 0 442.451 1.189 50 0 IDAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1O)oc1c3CCCC1 ZINC000013628421 556538243 /nfs/dbraw/zinc/53/82/43/556538243.db2.gz SMQCJKQDZFQTHC-IRXDYDNUSA-N 0 0 445.493 1.543 50 0 IDAARN COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 ZINC000032579271 556541294 /nfs/dbraw/zinc/54/12/94/556541294.db2.gz CAPVFZQQGKFNBY-AWEZNQCLSA-N 0 0 433.534 1.195 50 0 IDAARN CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1 ZINC000032579338 556541318 /nfs/dbraw/zinc/54/13/18/556541318.db2.gz QTWMZENABCXDIV-UHFFFAOYSA-N 0 0 437.953 1.875 50 0 IDAARN COc1ccccc1N1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)CC1 ZINC000015673619 556542703 /nfs/dbraw/zinc/54/27/03/556542703.db2.gz RRALAFNAKBKOMN-UHFFFAOYSA-N 0 0 430.486 1.500 50 0 IDAARN NC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(N)=O ZINC000004574772 556547330 /nfs/dbraw/zinc/54/73/30/556547330.db2.gz MHFVCTJLHJLQGF-ZIAGYGMSSA-N 0 0 425.224 1.715 50 0 IDAARN CSc1ncc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n1-c1ccc(F)cc1 ZINC000032722644 556548019 /nfs/dbraw/zinc/54/80/19/556548019.db2.gz UIRWIGCOICKXKR-UHFFFAOYSA-N 0 0 447.536 1.350 50 0 IDAARN COc1ccccc1NC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000013682105 556557444 /nfs/dbraw/zinc/55/74/44/556557444.db2.gz MFZJVYXXHJPMBJ-INIZCTEOSA-N 0 0 431.514 1.851 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)N3CCCCCC3)CC2)cc1 ZINC000013682892 556557733 /nfs/dbraw/zinc/55/77/33/556557733.db2.gz RTKOAJYORXKBEI-UHFFFAOYSA-N 0 0 437.562 1.615 50 0 IDAARN O=S(=O)(CCN(C1CCCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CCNCC1 ZINC000015868817 556559294 /nfs/dbraw/zinc/55/92/94/556559294.db2.gz DXSRGWJCVHOKKO-UHFFFAOYSA-N 0 0 447.598 1.774 50 0 IDAARN O=C(CSc1nc2ncccc2o1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000015867772 556559325 /nfs/dbraw/zinc/55/93/25/556559325.db2.gz YMFMDFSWHDINHA-UHFFFAOYSA-N 0 0 434.499 1.975 50 0 IDAARN CCCCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868888 556559636 /nfs/dbraw/zinc/55/96/36/556559636.db2.gz CVJHPWMVBSJEMF-UHFFFAOYSA-N 0 0 438.015 1.756 50 0 IDAARN COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(C[C@@H]5CCCO5)C(=O)[C@H]24)O3)cc(OC)c1OC ZINC000015905314 556562510 /nfs/dbraw/zinc/56/25/10/556562510.db2.gz LQAIALVFPHCXFW-SLZBCADVSA-N 0 0 444.484 1.612 50 0 IDAARN COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(C[C@@H]5CCCO5)C(=O)[C@H]24)O3)cc(OC)c1OC ZINC000015905312 556562640 /nfs/dbraw/zinc/56/26/40/556562640.db2.gz LQAIALVFPHCXFW-YWKIXLFMSA-N 0 0 444.484 1.612 50 0 IDAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000015919248 556563630 /nfs/dbraw/zinc/56/36/30/556563630.db2.gz RPECHGCSPILWDO-UHFFFAOYSA-N 0 0 445.541 1.435 50 0 IDAARN COc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000015930326 556565153 /nfs/dbraw/zinc/56/51/53/556565153.db2.gz ZHPKTQRWPACILQ-UHFFFAOYSA-N 0 0 448.497 1.378 50 0 IDAARN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)C3CC3)CC2)C(C)C)c1 ZINC000032908684 556565751 /nfs/dbraw/zinc/56/57/51/556565751.db2.gz MFUJTZXKVGUHNE-HXUWFJFHSA-N 0 0 431.533 1.975 50 0 IDAARN C[C@@H]1CN(C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)C[C@H](C)O1 ZINC000015936415 556566078 /nfs/dbraw/zinc/56/60/78/556566078.db2.gz PTYZHLJOARONKX-IYBDPMFKSA-N 0 0 425.551 1.586 50 0 IDAARN CCOC(=O)C1C(CN2CCN(C(=O)c3ccco3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000015936999 556566084 /nfs/dbraw/zinc/56/60/84/556566084.db2.gz OEXFLALDYXPMMB-FQEVSTJZSA-N 0 0 438.484 1.909 50 0 IDAARN C[C@@H]1C[S@](=O)CCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000072308401 556566236 /nfs/dbraw/zinc/56/62/36/556566236.db2.gz FGTZRRPWEONOOD-ASHKIFAZSA-N 0 0 448.010 1.906 50 0 IDAARN COCCNC(=O)Cn1c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2oc1=O ZINC000015943831 556566595 /nfs/dbraw/zinc/56/65/95/556566595.db2.gz JWRKPWMNDQIKOL-OKILXGFUSA-N 0 0 425.507 1.024 50 0 IDAARN COc1ccccc1Nc1nc(N)nc(CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 ZINC000072308904 556568248 /nfs/dbraw/zinc/56/82/48/556568248.db2.gz CNUYEITUIKYBOR-FQEVSTJZSA-N 0 0 426.481 1.016 50 0 IDAARN C[C@H](c1nc(C2CC2)no1)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072308917 556568274 /nfs/dbraw/zinc/56/82/74/556568274.db2.gz CUZQYTMCPWWFJD-CYBMUJFWSA-N 0 0 441.554 1.575 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)C ZINC000015987280 556571125 /nfs/dbraw/zinc/57/11/25/556571125.db2.gz VITVVWZAEDSBOQ-LJQANCHMSA-N 0 0 439.578 1.299 50 0 IDAARN Cc1c2c(ccc1Cl)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016010029 556573623 /nfs/dbraw/zinc/57/36/23/556573623.db2.gz NWPDCQTUHRNAIP-SKGWCBBHSA-N 0 0 444.919 1.577 50 0 IDAARN CC(=O)NCc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)o1 ZINC000016050706 556580973 /nfs/dbraw/zinc/58/09/73/556580973.db2.gz KFZKBVPIVPQJAV-IBGZPJMESA-N 0 0 426.425 1.962 50 0 IDAARN O=C(CNC(=O)COc1ccccc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000016050532 556581011 /nfs/dbraw/zinc/58/10/11/556581011.db2.gz AUOGAXCJLQHOJM-UHFFFAOYSA-N 0 0 443.481 1.892 50 0 IDAARN CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000034764446 556582337 /nfs/dbraw/zinc/58/23/37/556582337.db2.gz FSJYCWNIBNKPAP-UHFFFAOYSA-N 0 0 432.546 1.770 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)Cn3ccnc3)CC2)cc1OC ZINC000032912130 556585493 /nfs/dbraw/zinc/58/54/93/556585493.db2.gz ADSYQKZWCSVYCL-OAHLLOKOSA-N 0 0 436.534 1.506 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)sc3c2)cc1 ZINC000072311533 556586577 /nfs/dbraw/zinc/58/65/77/556586577.db2.gz ZJTPGNJGCFQEGL-JTQLQIEISA-N 0 0 434.499 1.854 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)c1 ZINC000060242073 556588172 /nfs/dbraw/zinc/58/81/72/556588172.db2.gz BCTSRYNTGSTLPY-IBGZPJMESA-N 0 0 430.530 1.572 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 ZINC000035681082 556589545 /nfs/dbraw/zinc/58/95/45/556589545.db2.gz RGXCIOQIRAIULY-UHFFFAOYSA-N 0 0 432.571 1.678 50 0 IDAARN COc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1S(=O)(=O)N1CCCCC1 ZINC000032912422 556591388 /nfs/dbraw/zinc/59/13/88/556591388.db2.gz ZISXPWABKYSCAZ-DZGCQCFKSA-N 0 0 428.532 1.020 50 0 IDAARN CN1N=C(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CCC1=O ZINC000016231139 556593537 /nfs/dbraw/zinc/59/35/37/556593537.db2.gz MLQOCHVRYDVJBU-UHFFFAOYSA-N 0 0 433.317 1.435 50 0 IDAARN CN1CCN(C(=O)NCC23CC4CC(C2)CC(CNC(=O)N2CCN(C)CC2)(C4)C3)CC1 ZINC000016293173 556598518 /nfs/dbraw/zinc/59/85/18/556598518.db2.gz DURBEBVIJIAIPQ-UHFFFAOYSA-N 0 0 446.640 1.487 50 0 IDAARN Cn1c2cc(Br)c(S(=O)(=O)NCc3ccccc3)cc2n(C)c(=O)c1=O ZINC000036646396 556599655 /nfs/dbraw/zinc/59/96/55/556599655.db2.gz VLFUGVFQGXEJIF-UHFFFAOYSA-N 0 0 438.303 1.478 50 0 IDAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2NC1=O ZINC000032983732 556602295 /nfs/dbraw/zinc/60/22/95/556602295.db2.gz GRJOSTKVJIHVGK-MXDDHBLUSA-N 0 0 428.466 1.984 50 0 IDAARN O=C(CSCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCN1CCOCC1 ZINC000032987271 556607253 /nfs/dbraw/zinc/60/72/53/556607253.db2.gz ICRPOYAWRUBDSZ-UHFFFAOYSA-N 0 0 439.538 1.611 50 0 IDAARN Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCCN3CCOCC3)s2)cc1 ZINC000032987445 556607661 /nfs/dbraw/zinc/60/76/61/556607661.db2.gz VBOUJHQGAWTWLE-UHFFFAOYSA-N 0 0 433.534 1.454 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000032987856 556608305 /nfs/dbraw/zinc/60/83/05/556608305.db2.gz JBPXBMHPVXIKNU-FPOVZHCZSA-N 0 0 435.590 1.861 50 0 IDAARN C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000032990942 556609776 /nfs/dbraw/zinc/60/97/76/556609776.db2.gz DHFDIXXDGUDQGP-OAHLLOKOSA-N 0 0 435.933 1.991 50 0 IDAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2)c1C(=O)N1CCOCC1 ZINC000032996454 556611828 /nfs/dbraw/zinc/61/18/28/556611828.db2.gz IEOWFADITZLTCT-UHFFFAOYSA-N 0 0 448.545 1.089 50 0 IDAARN NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2)CC1 ZINC000016489299 556612055 /nfs/dbraw/zinc/61/20/55/556612055.db2.gz ZVXKRGPBTDFGRE-UHFFFAOYSA-N 0 0 430.530 1.133 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(OC)c1 ZINC000038530951 556613449 /nfs/dbraw/zinc/61/34/49/556613449.db2.gz KHEMHUYBXVBHSC-UHFFFAOYSA-N 0 0 447.561 1.995 50 0 IDAARN NC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3Br)CC2)nc1 ZINC000032916659 556615668 /nfs/dbraw/zinc/61/56/68/556615668.db2.gz BZWRWGDXFWEHCW-UHFFFAOYSA-N 0 0 437.269 1.810 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000016638079 556619227 /nfs/dbraw/zinc/61/92/27/556619227.db2.gz UTPSXYLDZLDWDL-UHFFFAOYSA-N 0 0 430.530 1.373 50 0 IDAARN CSc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCOCC1 ZINC000016649638 556620295 /nfs/dbraw/zinc/62/02/95/556620295.db2.gz NGCPRADNSSTHTR-UHFFFAOYSA-N 0 0 435.527 1.781 50 0 IDAARN COC(=O)c1ccc2c(c1)nc(CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)[nH]c2=O ZINC000016699141 556629124 /nfs/dbraw/zinc/62/91/24/556629124.db2.gz XHZPDTJJGWGFPU-GFCCVEGCSA-N 0 0 430.486 1.962 50 0 IDAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 ZINC000409414218 556639598 /nfs/dbraw/zinc/63/95/98/556639598.db2.gz INSQRGXVHOWCFX-IAGOWNOFSA-N 0 0 425.441 1.856 50 0 IDAARN CC(C)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)NCc1cccn1C ZINC000409413285 556640642 /nfs/dbraw/zinc/64/06/42/556640642.db2.gz SRCKMQOXVIGDOG-LLGFUMIMSA-N 0 0 425.533 1.657 50 0 IDAARN O=C(CSC[C@H](O)[C@H](O)CSCC(=O)Nc1nccs1)Nc1nccs1 ZINC000040546175 556644636 /nfs/dbraw/zinc/64/46/36/556644636.db2.gz DWNVBUNXOFHDRL-AOOOYVTPSA-N 0 0 434.590 1.365 50 0 IDAARN O=C(CSC[C@H](O)[C@@H](O)CSCC(=O)Nc1nccs1)Nc1nccs1 ZINC000040546179 556644707 /nfs/dbraw/zinc/64/47/07/556644707.db2.gz DWNVBUNXOFHDRL-UWVGGRQHSA-N 0 0 434.590 1.365 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000011719440 556644793 /nfs/dbraw/zinc/64/47/93/556644793.db2.gz PBANRPHQUMRHEZ-UHFFFAOYSA-N 0 0 441.531 1.232 50 0 IDAARN O=C(CNC(=O)c1ccc(Br)o1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000016830541 556645304 /nfs/dbraw/zinc/64/53/04/556645304.db2.gz YVQVPLRNYVNSGX-OAHLLOKOSA-N 0 0 436.306 1.962 50 0 IDAARN COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1S(=O)(=O)N(C)C ZINC000247932767 556646168 /nfs/dbraw/zinc/64/61/68/556646168.db2.gz GGAVSKMLBBVNMF-NWANDNLSSA-N 0 0 435.502 1.224 50 0 IDAARN Cc1ccc(C)c(N2N=C(C(=O)O[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CCC2=O)c1 ZINC000016867127 556647623 /nfs/dbraw/zinc/64/76/23/556647623.db2.gz MAONZTHVXRMBKO-HOTGVXAUSA-N 0 0 449.529 1.363 50 0 IDAARN O=C(c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000016963397 556651363 /nfs/dbraw/zinc/65/13/63/556651363.db2.gz MASHOHMNEWRNPY-OAHLLOKOSA-N 0 0 445.518 1.856 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NCc3ccc(F)cc3)nc(C3CC3)nc2n(C)c1=O ZINC000011758113 556652203 /nfs/dbraw/zinc/65/22/03/556652203.db2.gz FCJJRQREGLIYRY-UHFFFAOYSA-N 0 0 429.477 1.452 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)Nc3nccs3)nc(-c3cccs3)nc2n(C)c1=O ZINC000011758319 556652530 /nfs/dbraw/zinc/65/25/30/556652530.db2.gz VDPIDZDJMKFJFU-UHFFFAOYSA-N 0 0 446.539 1.943 50 0 IDAARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017052290 556654411 /nfs/dbraw/zinc/65/44/11/556654411.db2.gz 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556766646 /nfs/dbraw/zinc/76/66/46/556766646.db2.gz AMMFKNZUFWBKGU-CQSZACIVSA-N 0 0 433.490 1.200 50 0 IDAARN Cc1ccc([C@H](CNC(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)N2CCOCC2)o1 ZINC000058173690 556768752 /nfs/dbraw/zinc/76/87/52/556768752.db2.gz CASOYUWXEZOMEY-SFHVURJKSA-N 0 0 425.489 1.336 50 0 IDAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C(=O)NC(C)C)CC2)cc1OC ZINC000058215097 556772222 /nfs/dbraw/zinc/77/22/22/556772222.db2.gz DCJNRJSEWQLETF-UHFFFAOYSA-N 0 0 441.550 1.135 50 0 IDAARN COc1cc(CC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc(OC)c1OC ZINC000058244628 556774846 /nfs/dbraw/zinc/77/48/46/556774846.db2.gz BONPRKRAZHLGQB-UHFFFAOYSA-N 0 0 425.445 1.591 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000058244706 556775017 /nfs/dbraw/zinc/77/50/17/556775017.db2.gz MLCURVHKOHTORH-HXUWFJFHSA-N 0 0 438.463 1.916 50 0 IDAARN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000058298019 556778400 /nfs/dbraw/zinc/77/84/00/556778400.db2.gz PFTVSYYEWFERJI-UONOGXRCSA-N 0 0 426.395 1.473 50 0 IDAARN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(-n3cc(Br)cn3)c2)C1 ZINC000058313590 556780082 /nfs/dbraw/zinc/78/00/82/556780082.db2.gz XRJZBPXFVYAWTO-CQSZACIVSA-N 0 0 427.324 1.789 50 0 IDAARN CCN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058451801 556789162 /nfs/dbraw/zinc/78/91/62/556789162.db2.gz LHYSVZMAYGAOKY-UHFFFAOYSA-N 0 0 443.529 1.634 50 0 IDAARN Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)c1 ZINC000096380433 556790205 /nfs/dbraw/zinc/79/02/05/556790205.db2.gz VTUUCLPZXVJNFS-UHFFFAOYSA-N 0 0 426.516 1.082 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1Cl ZINC000019533665 556793583 /nfs/dbraw/zinc/79/35/83/556793583.db2.gz KCLIXFPDZIONDQ-UHFFFAOYSA-N 0 0 429.970 1.913 50 0 IDAARN CC[C@H](C)NC(=O)c1cccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 ZINC000059118923 556794734 /nfs/dbraw/zinc/79/47/34/556794734.db2.gz UZUQJUUYGXWYKP-HNNXBMFYSA-N 0 0 442.541 1.912 50 0 IDAARN COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000003327556 556810795 /nfs/dbraw/zinc/81/07/95/556810795.db2.gz JBBHIZGERSUIML-UHFFFAOYSA-N 0 0 439.515 1.379 50 0 IDAARN CCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2cc(Cl)ccc2c1=O ZINC000003370603 556812227 /nfs/dbraw/zinc/81/22/27/556812227.db2.gz BUIFJHFXJZKJPB-UHFFFAOYSA-N 0 0 449.920 1.415 50 0 IDAARN O=C(OC[C@@H]1O[C@@H]2[C@H](Oc3nc(=O)ccn32)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000034255640 556812235 /nfs/dbraw/zinc/81/22/35/556812235.db2.gz WLLCZAIADALVGH-IJXRJRJASA-N 0 0 434.404 1.984 50 0 IDAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccncc5)CC4)c3CO2)cc1 ZINC000097943644 556813482 /nfs/dbraw/zinc/81/34/82/556813482.db2.gz SBYVVPKONHWWDX-HXUWFJFHSA-N 0 0 432.484 1.851 50 0 IDAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC(C)C)CC4)c3CO2)cc1 ZINC000097943654 556813490 /nfs/dbraw/zinc/81/34/90/556813490.db2.gz GNXARYSNERJMJD-IBGZPJMESA-N 0 0 427.505 1.935 50 0 IDAARN O=C(CSc1nnnn1-c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003433946 556815536 /nfs/dbraw/zinc/81/55/36/556815536.db2.gz CTAUUKFTFZCAED-UHFFFAOYSA-N 0 0 445.526 1.658 50 0 IDAARN CN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000019589730 556824525 /nfs/dbraw/zinc/82/45/25/556824525.db2.gz MCKFACZYVAWARO-UHFFFAOYSA-N 0 0 449.504 1.566 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1Cl ZINC000065363272 556834908 /nfs/dbraw/zinc/83/49/08/556834908.db2.gz QBQLXZIZPLGTJW-UHFFFAOYSA-N 0 0 434.909 1.835 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N(CCN4CCOCC4)C3)CC2)cc1 ZINC000019635680 556835088 /nfs/dbraw/zinc/83/50/88/556835088.db2.gz JATXCKCAMFZSQO-NRFANRHFSA-N 0 0 442.560 1.109 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)cc1 ZINC000065363496 556835169 /nfs/dbraw/zinc/83/51/69/556835169.db2.gz JMAYZDCGWZQJCS-UHFFFAOYSA-N 0 0 428.518 1.880 50 0 IDAARN COC(=O)c1sccc1NC(=O)C[C@@H](C[NH+]1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000072404627 556836518 /nfs/dbraw/zinc/83/65/18/556836518.db2.gz ZUUUAMOVBGDOSZ-ZDUSSCGKSA-N 0 0 433.490 1.176 50 0 IDAARN COc1cc(OC)cc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022998106 556838831 /nfs/dbraw/zinc/83/88/31/556838831.db2.gz JITNOAXXYHNEJC-UHFFFAOYSA-N 0 0 447.557 1.581 50 0 IDAARN CC[C@]1(C)NC(=O)N(NC(=O)CN(Cc2ccco2)Cc2ccc(C(=O)NC)cc2)C1=O ZINC000096743033 556841896 /nfs/dbraw/zinc/84/18/96/556841896.db2.gz OWSLMFITVQPAQH-QFIPXVFZSA-N 0 0 441.488 1.393 50 0 IDAARN CN1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000067604469 556843742 /nfs/dbraw/zinc/84/37/42/556843742.db2.gz WKOSBNUPNSIHTG-UHFFFAOYSA-N 0 0 431.514 1.787 50 0 IDAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(C(C)=O)cc1 ZINC000008765254 556845882 /nfs/dbraw/zinc/84/58/82/556845882.db2.gz YFPZJQZIRKMAKS-YTAOHXRWSA-N 0 0 427.453 1.973 50 0 biogenic IDAARN COc1cccc(CN(C)S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000096795030 556845988 /nfs/dbraw/zinc/84/59/88/556845988.db2.gz OGJUKUITQRQUIO-UHFFFAOYSA-N 0 0 436.553 1.923 50 0 IDAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)c1cn(CCN2CCOCC2)nn1 ZINC000067727037 556846357 /nfs/dbraw/zinc/84/63/57/556846357.db2.gz SLURPMSCMCRAKQ-UHFFFAOYSA-N 0 0 427.484 1.482 50 0 IDAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)Cc1ccccc1 ZINC000008825033 556848919 /nfs/dbraw/zinc/84/89/19/556848919.db2.gz YCFBEJNYKATUOE-QGZVFWFLSA-N 0 0 446.525 1.911 50 0 IDAARN COc1ccc(-c2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n[nH]2)cc1OC ZINC000008918885 556851355 /nfs/dbraw/zinc/85/13/55/556851355.db2.gz GLELQHNCLNYVJO-UHFFFAOYSA-N 0 0 431.474 1.992 50 0 IDAARN Cn1c2ccccc2n(Cc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc2)c(=O)c1=O ZINC000033106792 556859327 /nfs/dbraw/zinc/85/93/27/556859327.db2.gz RUYWQXFOUQEUPY-UHFFFAOYSA-N 0 0 435.480 1.728 50 0 IDAARN CCOc1ccc(CNC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)cc1OCC ZINC000033124402 556864468 /nfs/dbraw/zinc/86/44/68/556864468.db2.gz PTCVACFCWINREL-UHFFFAOYSA-N 0 0 444.532 1.414 50 0 IDAARN O=C([C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000019720663 556876449 /nfs/dbraw/zinc/87/64/49/556876449.db2.gz IBCBGPVARROLFZ-FQEVSTJZSA-N 0 0 444.551 1.721 50 0 IDAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000019740436 556880591 /nfs/dbraw/zinc/88/05/91/556880591.db2.gz OINMFVUWJSHLNQ-FQEVSTJZSA-N 0 0 442.560 1.391 50 0 IDAARN CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)ccc1OC ZINC000071754817 556887440 /nfs/dbraw/zinc/88/74/40/556887440.db2.gz QLDJKZALEDRULN-UHFFFAOYSA-N 0 0 433.530 1.366 50 0 IDAARN COc1ccc(CCNC(=O)c2nc(Cn3cnc4ccccc4c3=O)no2)cc1OC ZINC000033255794 556895064 /nfs/dbraw/zinc/89/50/64/556895064.db2.gz DSKNOJOLZNMGET-UHFFFAOYSA-N 0 0 435.440 1.818 50 0 IDAARN CCn1c(=O)c(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)c(C)n(-c2ccccc2)c1=O ZINC000033258727 556896592 /nfs/dbraw/zinc/89/65/92/556896592.db2.gz WCGDRNAJBOPWOW-HXUWFJFHSA-N 0 0 440.544 1.839 50 0 IDAARN CN1CCN(S(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)CC1 ZINC000072140570 556899370 /nfs/dbraw/zinc/89/93/70/556899370.db2.gz USIBYQNWQJWWHJ-UHFFFAOYSA-N 0 0 425.942 1.293 50 0 IDAARN COc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000033261984 556900045 /nfs/dbraw/zinc/90/00/45/556900045.db2.gz QVPDPDYTLLAYMK-MRXNPFEDSA-N 0 0 431.470 1.818 50 0 IDAARN COc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000033261953 556900058 /nfs/dbraw/zinc/90/00/58/556900058.db2.gz ZESSBXGANIZJLR-KRWDZBQOSA-N 0 0 445.497 1.496 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000010666837 556913412 /nfs/dbraw/zinc/91/34/12/556913412.db2.gz UKSNQIAZLRTSHF-UHFFFAOYSA-N 0 0 440.566 1.409 50 0 IDAARN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCN2CCOCC2)cc1 ZINC000019809679 556918470 /nfs/dbraw/zinc/91/84/70/556918470.db2.gz QDBSMIQJRGEAFP-SFHVURJKSA-N 0 0 434.562 1.564 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N(C)CCc1ccncc1 ZINC000019821053 556924145 /nfs/dbraw/zinc/92/41/45/556924145.db2.gz UWUWPTMVACQKTE-PXNSSMCTSA-N 0 0 438.571 1.512 50 0 IDAARN CCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000019820981 556924155 /nfs/dbraw/zinc/92/41/55/556924155.db2.gz ZTEKJIVUCSMFLC-OALUTQOASA-N 0 0 428.620 1.561 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)C1 ZINC000019821437 556924398 /nfs/dbraw/zinc/92/43/98/556924398.db2.gz UDRIHXBXCAHQGU-UKRRQHHQSA-N 0 0 439.472 1.614 50 0 IDAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(C)CC1)CN(C(=O)OCC)CC2 ZINC000019831007 556926440 /nfs/dbraw/zinc/92/64/40/556926440.db2.gz FORSGYLNDOHCBM-UHFFFAOYSA-N 0 0 438.550 1.625 50 0 IDAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000019838227 556928704 /nfs/dbraw/zinc/92/87/04/556928704.db2.gz UUACDXCYDBOKTC-IBGZPJMESA-N 0 0 441.532 1.656 50 0 IDAARN Cc1cccc(Cn2nnc(-c3nnc(SCC(N)=O)n3C[C@@H]3CCCO3)c2N)c1 ZINC000019897435 556940555 /nfs/dbraw/zinc/94/05/55/556940555.db2.gz WIYHUCYQKURGME-AWEZNQCLSA-N 0 0 428.522 1.232 50 0 IDAARN Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1 ZINC000019899266 556941474 /nfs/dbraw/zinc/94/14/74/556941474.db2.gz QPPSVUCFPGOPNQ-UHFFFAOYSA-N 0 0 437.460 1.520 50 0 IDAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccccc2)cc1 ZINC000019943129 556953736 /nfs/dbraw/zinc/95/37/36/556953736.db2.gz NGFGBRLUILQRMA-UHFFFAOYSA-N 0 0 447.557 1.729 50 0 IDAARN Cn1c2nc(NCCCN3CCOCC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000019944087 556953852 /nfs/dbraw/zinc/95/38/52/556953852.db2.gz LVXGYPJECBFBTL-UHFFFAOYSA-N 0 0 446.939 1.270 50 0 IDAARN COc1ccccc1NC(=O)CS(=O)(=O)CC(=O)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 ZINC000019951425 556954448 /nfs/dbraw/zinc/95/44/48/556954448.db2.gz CXFQEXNGHTYBFB-ZDUSSCGKSA-N 0 0 446.481 1.675 50 0 IDAARN Cn1c2nc(SCCN3CCOCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000019973497 556956421 /nfs/dbraw/zinc/95/64/21/556956421.db2.gz WAIRJPYCEDNBJB-UHFFFAOYSA-N 0 0 429.546 1.480 50 0 IDAARN Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCN2CCOCC2)c4=O)c1 ZINC000020061975 556976317 /nfs/dbraw/zinc/97/63/17/556976317.db2.gz DIZKIDJZGOCQKS-QGZVFWFLSA-N 0 0 438.532 1.325 50 0 IDAARN COC(=O)c1ncn2c1C(=O)N(Cc1cccnc1)[C@](C)(C(=O)NCc1ccccc1)C2 ZINC000033265912 556976713 /nfs/dbraw/zinc/97/67/13/556976713.db2.gz JKGFWIHXSGMYEC-QHCPKHFHSA-N 0 0 433.468 1.796 50 0 IDAARN Cc1c(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)[nH]c2c1C(=O)CCC2 ZINC000023041391 556986129 /nfs/dbraw/zinc/98/61/29/556986129.db2.gz DIFAPESUPUZRJG-UHFFFAOYSA-N 0 0 431.514 1.793 50 0 IDAARN CCS(=O)(=O)N1CCC(C(=O)OC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000097117138 556991505 /nfs/dbraw/zinc/99/15/05/556991505.db2.gz SZWFMSMZYIQKCB-OAHLLOKOSA-N 0 0 434.555 1.963 50 0 IDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccccc1Cl)c(=O)n2C ZINC000020168575 556994291 /nfs/dbraw/zinc/99/42/91/556994291.db2.gz GFDGYDBAHRFCGB-UHFFFAOYSA-N 0 0 430.848 1.872 50 0 IDAARN Nc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198338 556997498 /nfs/dbraw/zinc/99/74/98/556997498.db2.gz SWVBJTWEPZNNOP-QGZVFWFLSA-N 0 0 445.526 1.149 50 0 IDAARN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CCOCC2)cc1 ZINC000023106931 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O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)Nc2nc[nH]n2)c1 ZINC000023142132 557067508 /nfs/dbraw/zinc/06/75/08/557067508.db2.gz OVAHHWSMYVZDCE-AWEZNQCLSA-N 0 0 427.490 1.870 50 0 IDAARN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)c1 ZINC000023148751 557068861 /nfs/dbraw/zinc/06/88/61/557068861.db2.gz QYQICRSQIPJTGO-UHFFFAOYSA-N 0 0 440.934 1.862 50 0 IDAARN CN(C1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1)S(C)(=O)=O ZINC000048341116 557070513 /nfs/dbraw/zinc/07/05/13/557070513.db2.gz OWSJKHZOJOTWNK-UHFFFAOYSA-N 0 0 427.527 1.785 50 0 IDAARN Cn1c(=O)c2cc(C(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)cnc2n(C)c1=O ZINC000023182776 557071137 /nfs/dbraw/zinc/07/11/37/557071137.db2.gz XLOAFFWFZDFQGC-UHFFFAOYSA-N 0 0 441.919 1.634 50 0 IDAARN CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 ZINC000023184100 557071165 /nfs/dbraw/zinc/07/11/65/557071165.db2.gz FKDZHVNEPAQCBP-HNNXBMFYSA-N 0 0 429.498 1.879 50 0 IDAARN CCOCCCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 ZINC000048343315 557071285 /nfs/dbraw/zinc/07/12/85/557071285.db2.gz JAZAWTBPGNUYPE-FQEVSTJZSA-N 0 0 446.527 1.686 50 0 IDAARN CCOCCCNC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 ZINC000048343313 557071355 /nfs/dbraw/zinc/07/13/55/557071355.db2.gz JAZAWTBPGNUYPE-HXUWFJFHSA-N 0 0 446.527 1.686 50 0 IDAARN COc1cc(Br)c(OC)c(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000048354009 557072393 /nfs/dbraw/zinc/07/23/93/557072393.db2.gz OQSBIFDTUWGIEC-UHFFFAOYSA-N 0 0 426.311 1.503 50 0 IDAARN CC(C)CC(=O)N1CCC(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)CC1 ZINC000048356057 557073356 /nfs/dbraw/zinc/07/33/56/557073356.db2.gz BYGSSEPZLCNXNT-FQEVSTJZSA-N 0 0 448.589 1.903 50 0 IDAARN C[C@@H]1CN(c2ccc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2F)C[C@@H](C)O1 ZINC000048365460 557074858 /nfs/dbraw/zinc/07/48/58/557074858.db2.gz DRYNGBVMQJKVJO-CHWSQXEVSA-N 0 0 441.463 1.637 50 0 IDAARN Cc1cc(NC(=O)C2CCN(C(=O)c3nc(N4CCOCC4)ncc3Cl)CC2)no1 ZINC000048365482 557074894 /nfs/dbraw/zinc/07/48/94/557074894.db2.gz DALZRDBQIWXQMK-UHFFFAOYSA-N 0 0 434.884 1.754 50 0 IDAARN O=C(c1nc(Cn2nc(-c3ccc(F)cc3)ccc2=O)no1)N1CCC2(CC1)OCCO2 ZINC000033292482 557075709 /nfs/dbraw/zinc/07/57/09/557075709.db2.gz HNMWYOSZWLGXLD-UHFFFAOYSA-N 0 0 441.419 1.460 50 0 biogenic IDAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000048374881 557077093 /nfs/dbraw/zinc/07/70/93/557077093.db2.gz XTKXOCUSYRCJAP-CQSZACIVSA-N 0 0 431.580 1.443 50 0 IDAARN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000023247990 557077907 /nfs/dbraw/zinc/07/79/07/557077907.db2.gz JGCJAUSVWSWPCT-SFHVURJKSA-N 0 0 427.549 1.380 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)CCSc1nc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000033299771 557078271 /nfs/dbraw/zinc/07/82/71/557078271.db2.gz GYOPITIXUXCZJW-UHFFFAOYSA-N 0 0 437.909 1.754 50 0 IDAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023249377 557078621 /nfs/dbraw/zinc/07/86/21/557078621.db2.gz HNRNZCSISRYSEH-HOTGVXAUSA-N 0 0 436.603 1.620 50 0 IDAARN CC(C)CNC(=O)CN1CCN(Cn2nc(-c3ccc4c(c3)OCO4)oc2=S)CC1 ZINC000023254189 557079195 /nfs/dbraw/zinc/07/91/95/557079195.db2.gz BFGCQEFKAKETTA-UHFFFAOYSA-N 0 0 433.534 1.949 50 0 IDAARN CN(CC(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1)S(C)(=O)=O ZINC000048984817 557081741 /nfs/dbraw/zinc/08/17/41/557081741.db2.gz FPMYLVHKEXFTTC-UHFFFAOYSA-N 0 0 441.560 1.049 50 0 IDAARN CCCCn1c(N)c(N(CC)C(=O)CN2CCN(Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000023290725 557082355 /nfs/dbraw/zinc/08/23/55/557082355.db2.gz HGWCBJLYFXOEJJ-UHFFFAOYSA-N 0 0 442.564 1.090 50 0 IDAARN Cn1c(=O)cc(COC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n(C)c1=O ZINC000011317817 557084691 /nfs/dbraw/zinc/08/46/91/557084691.db2.gz FBZBMPJBMTXFMW-UHFFFAOYSA-N 0 0 447.444 1.381 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CCN(Cc1ccc(C)o1)CC2 ZINC000023338930 557085207 /nfs/dbraw/zinc/08/52/07/557085207.db2.gz BHTRAFPNEUUGNK-UHFFFAOYSA-N 0 0 427.461 1.438 50 0 IDAARN O=C([C@@H]1CCC(=O)N(CCN2CCOCC2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000023339408 557085514 /nfs/dbraw/zinc/08/55/14/557085514.db2.gz OSWRPOQXDDUYQF-GOSISDBHSA-N 0 0 434.968 1.559 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2nc3c4sc(N(C)C)nc4ncn3c2=O)cc1 ZINC000033309203 557090711 /nfs/dbraw/zinc/09/07/11/557090711.db2.gz WRZGOLDETVEWSW-UHFFFAOYSA-N 0 0 441.473 1.382 50 0 IDAARN Cc1cccc(N2C[C@@H](C(=O)N3CCN(c4ncnc5c4cnn5C)CC3)CC2=O)c1C ZINC000023461686 557093195 /nfs/dbraw/zinc/09/31/95/557093195.db2.gz FQRXJHNATBWNPC-KRWDZBQOSA-N 0 0 433.516 1.682 50 0 IDAARN CCNC(=O)c1cn(-c2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn2)cn1 ZINC000033310092 557093293 /nfs/dbraw/zinc/09/32/93/557093293.db2.gz ZPDMWDVMDVPBFA-UHFFFAOYSA-N 0 0 426.458 1.872 50 0 IDAARN Cc1cc(NC(=O)CSCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)no1 ZINC000023528333 557095892 /nfs/dbraw/zinc/09/58/92/557095892.db2.gz AHLUTCKSOHHSRC-LBPRGKRZSA-N 0 0 426.495 1.745 50 0 IDAARN NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1=O ZINC000010912045 557097824 /nfs/dbraw/zinc/09/78/24/557097824.db2.gz WVAZNVMFYTXZKS-UHFFFAOYSA-N 0 0 440.769 1.839 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 ZINC000085420796 557101636 /nfs/dbraw/zinc/10/16/36/557101636.db2.gz ZBDPUCXJZDSDJN-NXWNEQKCSA-N 0 0 431.920 1.465 50 0 IDAARN CC(C)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 ZINC000085419048 557101650 /nfs/dbraw/zinc/10/16/50/557101650.db2.gz WRGMRLARACOQRP-KBXCAEBGSA-N 0 0 425.526 1.646 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 ZINC000085420794 557101658 /nfs/dbraw/zinc/10/16/58/557101658.db2.gz ZBDPUCXJZDSDJN-MDPIYQRISA-N 0 0 431.920 1.465 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C[C@@]34C=C[C@@H]2O4)CC1 ZINC000085418993 557101665 /nfs/dbraw/zinc/10/16/65/557101665.db2.gz PUBGQMMCPHQVAW-YWNPBTLJSA-N 0 0 441.484 1.282 50 0 IDAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000017638149 557101655 /nfs/dbraw/zinc/10/16/55/557101655.db2.gz LYUDPBGPMUKEBD-MRXNPFEDSA-N 0 0 426.491 1.472 50 0 IDAARN Cn1c(SCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)nnc1-c1cccnc1 ZINC000023632847 557101769 /nfs/dbraw/zinc/10/17/69/557101769.db2.gz QLEDCZDLXGRYMS-IBGZPJMESA-N 0 0 438.557 1.986 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)NCCCN3CCCC3=O)C2)c1C ZINC000085621151 557102574 /nfs/dbraw/zinc/10/25/74/557102574.db2.gz PHJWZKZGCLBZNA-MRXNPFEDSA-N 0 0 432.521 1.399 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)cc1 ZINC000049409245 557104290 /nfs/dbraw/zinc/10/42/90/557104290.db2.gz PAAGNDBQTRREIE-UHFFFAOYSA-N 0 0 447.513 1.838 50 0 IDAARN COc1ccccc1N1CCN(C(=O)c2snc3c2[nH]c(=O)n(CC(C)C)c3=O)CC1 ZINC000049409875 557105258 /nfs/dbraw/zinc/10/52/58/557105258.db2.gz KHGXRCYVTKXYGX-UHFFFAOYSA-N 0 0 443.529 1.773 50 0 IDAARN O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000585147640 557105517 /nfs/dbraw/zinc/10/55/17/557105517.db2.gz LKYDMOULUWKYAZ-UHFFFAOYSA-N 0 0 442.541 1.987 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc2c(c1)OCO2 ZINC000049410514 557105890 /nfs/dbraw/zinc/10/58/90/557105890.db2.gz JSTIPRSRYWIBOT-UHFFFAOYSA-N 0 0 433.486 1.780 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)NCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(C)c1 ZINC000023702423 557107879 /nfs/dbraw/zinc/10/78/79/557107879.db2.gz SBHLCIZYRZOCKJ-UHFFFAOYSA-N 0 0 436.534 1.566 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 ZINC000023702371 557107928 /nfs/dbraw/zinc/10/79/28/557107928.db2.gz ONKLFCHGCYWROW-UHFFFAOYSA-N 0 0 434.562 1.904 50 0 IDAARN C[C@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1=O ZINC000023718434 557110199 /nfs/dbraw/zinc/11/01/99/557110199.db2.gz MEMZUXMOWGEJIO-MRXNPFEDSA-N 0 0 432.955 1.386 50 0 IDAARN O=C(NCCn1nc(-n2cccn2)ccc1=O)[C@H]1CCCN(c2ccc(C3CC3)nn2)C1 ZINC000585150001 557110297 /nfs/dbraw/zinc/11/02/97/557110297.db2.gz VQJXDJOYVAHWDZ-KRWDZBQOSA-N 0 0 434.504 1.129 50 0 IDAARN COc1ccc(CN2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)cc1OC ZINC000023740759 557112865 /nfs/dbraw/zinc/11/28/65/557112865.db2.gz NGDSXJRSWRDAJJ-QFIPXVFZSA-N 0 0 430.505 1.069 50 0 IDAARN Cc1csc(=O)n1CCCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000023747237 557113948 /nfs/dbraw/zinc/11/39/48/557113948.db2.gz DUVOJVZELXOEPO-UHFFFAOYSA-N 0 0 439.559 1.336 50 0 IDAARN Cn1cccc1[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCOCC1 ZINC000049512876 557114174 /nfs/dbraw/zinc/11/41/74/557114174.db2.gz VGIQLUXANVHYQN-FQEVSTJZSA-N 0 0 439.516 1.280 50 0 IDAARN O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000049523704 557114389 /nfs/dbraw/zinc/11/43/89/557114389.db2.gz COMIWWUENHJXIJ-UHFFFAOYSA-N 0 0 448.545 1.072 50 0 IDAARN O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000023819147 557118727 /nfs/dbraw/zinc/11/87/27/557118727.db2.gz CBFWOTQUAPEPQK-HXUWFJFHSA-N 0 0 444.557 1.497 50 0 IDAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(=O)c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000023819698 557119029 /nfs/dbraw/zinc/11/90/29/557119029.db2.gz TZRSMLZHVSLHHG-QHCPKHFHSA-N 0 0 438.436 1.959 50 0 IDAARN CCN1C[C@H](CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)Oc2ccccc21 ZINC000023847167 557120650 /nfs/dbraw/zinc/12/06/50/557120650.db2.gz UYTFQXTZHDLCGN-SFHVURJKSA-N 0 0 445.589 1.741 50 0 IDAARN O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023994798 557130817 /nfs/dbraw/zinc/13/08/17/557130817.db2.gz DHWMSDCWADBCEY-MOPGFXCFSA-N 0 0 441.553 1.524 50 0 IDAARN CN(CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000024748110 557132918 /nfs/dbraw/zinc/13/29/18/557132918.db2.gz SOIFMDFSQZQCRB-UHFFFAOYSA-N 0 0 430.530 1.063 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)c2csc(-c3cccc(Cl)c3)n2)c(=O)n(C)c1=O ZINC000017980637 557135895 /nfs/dbraw/zinc/13/58/95/557135895.db2.gz WNPNKLZICKWZMS-UHFFFAOYSA-N 0 0 434.861 1.483 50 0 IDAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000011406684 557142250 /nfs/dbraw/zinc/14/22/50/557142250.db2.gz QVSVHVJVZUCGEO-OAHLLOKOSA-N 0 0 437.504 1.306 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cccc(-n2cnnn2)c1 ZINC000024335874 557144458 /nfs/dbraw/zinc/14/44/58/557144458.db2.gz NDBSPEROCMGYFL-UHFFFAOYSA-N 0 0 426.380 1.755 50 0 IDAARN O=c1c2c(c(=O)n1-c1ccccn1)c(Cl)c1c(=O)n(-c3ccccn3)c(=O)c1c2Cl ZINC000000712374 557146718 /nfs/dbraw/zinc/14/67/18/557146718.db2.gz YAAPOJMDHYKQIB-UHFFFAOYSA-N 0 0 439.214 1.988 50 0 IDAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1C1CC1 ZINC000024527646 557150146 /nfs/dbraw/zinc/15/01/46/557150146.db2.gz IUHKIXSJMPHWJU-HNNXBMFYSA-N 0 0 432.329 1.590 50 0 IDAARN CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OC ZINC000009669175 557150201 /nfs/dbraw/zinc/15/02/01/557150201.db2.gz NZGJQPDHMSCHRL-ZIAGYGMSSA-N 0 0 436.559 1.814 50 0 IDAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CN3C(=O)NC4(CCCC4)C3=O)ccc21 ZINC000024534693 557150401 /nfs/dbraw/zinc/15/04/01/557150401.db2.gz HOVBBMRQIHSXJG-ZDUSSCGKSA-N 0 0 427.457 1.575 50 0 IDAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CC(=O)Nc3cccc(F)c3)C2=O)cc1 ZINC000018006332 557151552 /nfs/dbraw/zinc/15/15/52/557151552.db2.gz FOMVWXBOGZGFNZ-QFIPXVFZSA-N 0 0 426.448 1.998 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(Cl)cc2)n(C)c1=O ZINC000009829496 557152194 /nfs/dbraw/zinc/15/21/94/557152194.db2.gz NQBZJPBKKPIJRJ-UHFFFAOYSA-N 0 0 429.864 1.972 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000024705041 557159121 /nfs/dbraw/zinc/15/91/21/557159121.db2.gz VBPPQEKPLVHMNG-UHFFFAOYSA-N 0 0 437.562 1.971 50 0 IDAARN CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1C ZINC000011530119 557159876 /nfs/dbraw/zinc/15/98/76/557159876.db2.gz XFJQEVFUWIXIKL-UHFFFAOYSA-N 0 0 427.413 1.238 50 0 IDAARN CCOc1ccc(C(=O)COC(=O)C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1 ZINC000024714791 557159997 /nfs/dbraw/zinc/15/99/97/557159997.db2.gz GBHVGSGDIJXSIN-UHFFFAOYSA-N 0 0 431.441 1.925 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000024751079 557162251 /nfs/dbraw/zinc/16/22/51/557162251.db2.gz FGNWJHQUXJXQPB-UHFFFAOYSA-N 0 0 447.560 1.687 50 0 IDAARN Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000024762198 557164654 /nfs/dbraw/zinc/16/46/54/557164654.db2.gz CVBDKNBIVFFOFX-UHFFFAOYSA-N 0 0 449.511 1.754 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)CC2=O)cc1C ZINC000206904528 557166010 /nfs/dbraw/zinc/16/60/10/557166010.db2.gz HRNSHRAWUZISIR-GOSISDBHSA-N 0 0 446.515 1.376 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccc(F)c1)NC[C@H]1CCCN(c2nccs2)C1 ZINC000206832177 557166067 /nfs/dbraw/zinc/16/60/67/557166067.db2.gz RNTYPDNJQKBVBS-CQSZACIVSA-N 0 0 426.539 1.983 50 0 IDAARN O=C1CCCC(=O)N1CCS(=O)(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206846905 557166301 /nfs/dbraw/zinc/16/63/01/557166301.db2.gz SEHPRSYPHHDRPT-OAHLLOKOSA-N 0 0 434.474 1.004 50 0 IDAARN Cc1cc(=O)c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)nn1-c1ccccc1 ZINC000024776633 557166997 /nfs/dbraw/zinc/16/69/97/557166997.db2.gz CMDIGEOXHMRMST-UHFFFAOYSA-N 0 0 442.483 1.479 50 0 IDAARN O=C(CCCn1cnc2ccccc2c1=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024777723 557167064 /nfs/dbraw/zinc/16/70/64/557167064.db2.gz CUOQFGHDFDTHRB-UHFFFAOYSA-N 0 0 444.499 1.501 50 0 IDAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccsc1C(=O)OC ZINC000024833259 557171155 /nfs/dbraw/zinc/17/11/55/557171155.db2.gz IQDUYPZDZHLGOT-UHFFFAOYSA-N 0 0 440.499 1.955 50 0 IDAARN Cc1c2ccccc2oc1C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000024839740 557172964 /nfs/dbraw/zinc/17/29/64/557172964.db2.gz FCDAGGHKISQXMP-UHFFFAOYSA-N 0 0 430.486 1.325 50 0 IDAARN CCOCCn1c2nnc(-c3ccc(Br)cc3)n2c2c1c(=O)[nH]c(=O)n2C ZINC000010967686 557176831 /nfs/dbraw/zinc/17/68/31/557176831.db2.gz ZKLRJFPRZPPPLP-UHFFFAOYSA-N 0 0 433.266 1.537 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000024926795 557180215 /nfs/dbraw/zinc/18/02/15/557180215.db2.gz MYAWCDJANAEZHR-UHFFFAOYSA-N 0 0 433.505 1.915 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000024928734 557180839 /nfs/dbraw/zinc/18/08/39/557180839.db2.gz SODLDTBFUZSGKN-GJZGRUSLSA-N 0 0 431.352 1.849 50 0 IDAARN O=C(CN1CSCC1=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 ZINC000024935495 557181009 /nfs/dbraw/zinc/18/10/09/557181009.db2.gz IUVSCQOOVSIMSE-UHFFFAOYSA-N 0 0 426.545 1.552 50 0 IDAARN CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)c(C(=O)N2CCOCC2)c1 ZINC000096210876 557183295 /nfs/dbraw/zinc/18/32/95/557183295.db2.gz NTPBXTPWMPUNTB-UHFFFAOYSA-N 0 0 431.537 1.748 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)CC1 ZINC000000784183 557184912 /nfs/dbraw/zinc/18/49/12/557184912.db2.gz JVARLEMZUBQQBI-UHFFFAOYSA-N 0 0 428.507 1.272 50 0 IDAARN Cn1c2ncn(CC(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)c2c(=O)n(C)c1=O ZINC000024982640 557185525 /nfs/dbraw/zinc/18/55/25/557185525.db2.gz RJXVQNLRKVWSLL-UHFFFAOYSA-N 0 0 445.785 1.667 50 0 IDAARN C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000024987108 557186459 /nfs/dbraw/zinc/18/64/59/557186459.db2.gz JLFDJTZWVFZXQU-OAHLLOKOSA-N 0 0 436.468 1.324 50 0 IDAARN CC(=O)N1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)Oc2ccccc21 ZINC000025012802 557189254 /nfs/dbraw/zinc/18/92/54/557189254.db2.gz YRYPGMRJTSJIKL-IBGZPJMESA-N 0 0 442.497 1.910 50 0 IDAARN CC(=O)N1C[C@H](C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)Oc2ccccc21 ZINC000025012805 557189266 /nfs/dbraw/zinc/18/92/66/557189266.db2.gz YRYPGMRJTSJIKL-LJQANCHMSA-N 0 0 442.497 1.910 50 0 IDAARN COCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CC(C)C)c(=O)[nH]c1=O ZINC000025043674 557190347 /nfs/dbraw/zinc/19/03/47/557190347.db2.gz ZKICKAOETYYPLG-UHFFFAOYSA-N 0 0 431.518 1.746 50 0 IDAARN CCCCn1c(N)c(N(CC)C(=O)Cc2ccc(N3CCCC3=O)cc2)c(=O)[nH]c1=O ZINC000025063442 557193681 /nfs/dbraw/zinc/19/36/81/557193681.db2.gz YXQYRTIEFSYJKJ-UHFFFAOYSA-N 0 0 427.505 1.641 50 0 IDAARN COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000025066738 557194253 /nfs/dbraw/zinc/19/42/53/557194253.db2.gz NRPCESUPFDAEIF-MRXNPFEDSA-N 0 0 439.516 1.888 50 0 IDAARN Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C ZINC000000789684 557194775 /nfs/dbraw/zinc/19/47/75/557194775.db2.gz FSZKYFIFMMXAST-UHFFFAOYSA-N 0 0 437.431 1.962 50 0 biogenic IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1C ZINC000100877625 557197657 /nfs/dbraw/zinc/19/76/57/557197657.db2.gz XWWLNHXXRSGCPL-VZCXRCSSSA-N 0 0 433.511 1.963 50 0 IDAARN COC(=O)Cn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)[C@@H]1COc2ccccc2O1 ZINC000100876235 557197679 /nfs/dbraw/zinc/19/76/79/557197679.db2.gz IEPSYDSHMPQPHF-XGNMISCSSA-N 0 0 442.449 1.930 50 0 IDAARN CCOC(=O)C1=NO[C@H]2[C@@H]3C[C@@H]([C@@H]4C(=O)N(CCc5ccc(OC)c(OC)c5)C(=O)[C@@H]34)[C@@H]12 ZINC000169301382 557201049 /nfs/dbraw/zinc/20/10/49/557201049.db2.gz DWNHDAZTKYKHER-MGFXBUOESA-N 0 0 442.468 1.431 50 0 IDAARN Cc1nn(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2CCCc2ccccc2)c(C)c1C ZINC000011613322 557209217 /nfs/dbraw/zinc/20/92/17/557209217.db2.gz DTOOLEXMRYDGEF-UHFFFAOYSA-N 0 0 449.515 1.126 50 0 IDAARN CCCn1c2nc(-c3ccc4c(c3)OCCO4)n(CCN3CCOCC3)c2c(=O)[nH]c1=O ZINC000025479907 557211899 /nfs/dbraw/zinc/21/18/99/557211899.db2.gz BGOUTWGGXUVGMQ-UHFFFAOYSA-N 0 0 441.488 1.067 50 0 IDAARN CNc1nc(-n2cnc(SCCOc3ccc(C)cc3)n2)nc(N2CCOCC2)n1 ZINC000025496427 557212264 /nfs/dbraw/zinc/21/22/64/557212264.db2.gz CNWJNUNBJDCYLY-UHFFFAOYSA-N 0 0 428.522 1.810 50 0 IDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2ccc(F)cc2)cc1OC ZINC000000798469 557213214 /nfs/dbraw/zinc/21/32/14/557213214.db2.gz CRKRSWLLEZUKGV-UHFFFAOYSA-N 0 0 438.477 1.897 50 0 IDAARN COc1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)ccc1OCc1c(C)noc1C ZINC000025574889 557215438 /nfs/dbraw/zinc/21/54/38/557215438.db2.gz UDDLPCVCHODERX-UHFFFAOYSA-N 0 0 437.518 1.987 50 0 IDAARN O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000247769950 557217682 /nfs/dbraw/zinc/21/76/82/557217682.db2.gz NSBURZHNRLPWTQ-GUTXKFCHSA-N 0 0 435.424 1.931 50 0 IDAARN O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000025591400 557217917 /nfs/dbraw/zinc/21/79/17/557217917.db2.gz DPSHKFMYZQQCKT-UHFFFAOYSA-N 0 0 438.513 1.502 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1C ZINC000025606798 557218763 /nfs/dbraw/zinc/21/87/63/557218763.db2.gz CNYKHWJPPNKXSN-OAQYLSRUSA-N 0 0 441.553 1.937 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N1CCOCC1 ZINC000025748762 557224209 /nfs/dbraw/zinc/22/42/09/557224209.db2.gz QKSYEPLBPOQFND-MRXNPFEDSA-N 0 0 447.598 1.453 50 0 IDAARN O=C1c2ccccc2C(=O)N1CCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000025786137 557226854 /nfs/dbraw/zinc/22/68/54/557226854.db2.gz XPJCJJJLLPWEDY-UHFFFAOYSA-N 0 0 431.489 1.818 50 0 IDAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000011666208 557231786 /nfs/dbraw/zinc/23/17/86/557231786.db2.gz VUWAARFAHWGHJR-UHFFFAOYSA-N 0 0 449.511 1.480 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CCCn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000011693299 557232219 /nfs/dbraw/zinc/23/22/19/557232219.db2.gz SVDOLRXPEQLIIP-UHFFFAOYSA-N 0 0 440.525 1.697 50 0 IDAARN COc1ccccc1OCCNC(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000018075450 557235260 /nfs/dbraw/zinc/23/52/60/557235260.db2.gz LQKMQQYOXVBFQM-IBGZPJMESA-N 0 0 431.514 1.954 50 0 IDAARN NC(=O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000026161613 557236386 /nfs/dbraw/zinc/23/63/86/557236386.db2.gz ABTPWJYPOLDMHX-FQEVSTJZSA-N 0 0 431.514 1.381 50 0 IDAARN Cc1cccc(CN2CCn3c(=O)n(CC(=O)NCCc4cccs4)nc3C2=O)c1 ZINC000098213162 557236583 /nfs/dbraw/zinc/23/65/83/557236583.db2.gz YPTSKCNWABPTAB-UHFFFAOYSA-N 0 0 425.514 1.430 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@@H](C)O[C@@H](C)C1 ZINC000018117952 557238371 /nfs/dbraw/zinc/23/83/71/557238371.db2.gz RSCFGAWJUQOZQF-GASCZTMLSA-N 0 0 441.575 1.140 50 0 IDAARN COc1ccc(N2C(=O)C[C@H](N3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000100173447 557245979 /nfs/dbraw/zinc/24/59/79/557245979.db2.gz MXWLKACSKXUUQK-FQEVSTJZSA-N 0 0 434.496 1.756 50 0 IDAARN CC(C)(CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCOCC1 ZINC000018183442 557246632 /nfs/dbraw/zinc/24/66/32/557246632.db2.gz SKPOUZBZDNXQDB-UHFFFAOYSA-N 0 0 434.562 1.075 50 0 IDAARN COC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000018194607 557247253 /nfs/dbraw/zinc/24/72/53/557247253.db2.gz MFRCCYRODMITKS-UHFFFAOYSA-N 0 0 432.498 1.526 50 0 IDAARN Cc1cc(N2CCCC2)ccc1NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000018218746 557252227 /nfs/dbraw/zinc/25/22/27/557252227.db2.gz MNYXQJQWSLJLSH-UHFFFAOYSA-N 0 0 430.896 1.634 50 0 IDAARN CC(C)OC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000018263573 557254480 /nfs/dbraw/zinc/25/44/80/557254480.db2.gz VXSHHVJGIDDAPL-UHFFFAOYSA-N 0 0 441.502 1.743 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CSCC(=O)Nc2ccc(Cl)cc2)NC(=O)NC1 ZINC000018262988 557254675 /nfs/dbraw/zinc/25/46/75/557254675.db2.gz SAXOVZRLQOFQHY-UHFFFAOYSA-N 0 0 441.893 1.685 50 0 IDAARN COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000023322133 557257358 /nfs/dbraw/zinc/25/73/58/557257358.db2.gz XQCMKMSEIUEONH-JLTOFOAXSA-N 0 0 448.497 1.883 50 0 IDAARN O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000101163543 557257697 /nfs/dbraw/zinc/25/76/97/557257697.db2.gz QFGRRQITIPURGF-HSZRJFAPSA-N 0 0 434.540 1.973 50 0 IDAARN O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000027142039 557257874 /nfs/dbraw/zinc/25/78/74/557257874.db2.gz YMCCWRIYLGNOJM-MRXNPFEDSA-N 0 0 428.445 1.480 50 0 IDAARN CC(=O)Nc1ncc(S(=O)(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)s1 ZINC000390831568 557258473 /nfs/dbraw/zinc/25/84/73/557258473.db2.gz SOIVOPABUDMNSB-LBPRGKRZSA-N 0 0 435.574 1.714 50 0 IDAARN CCCCn1c(N)c(N(CC(=O)N2CCO[C@H](C)C2)Cc2ccccc2)c(=O)[nH]c1=O ZINC000027315971 557260043 /nfs/dbraw/zinc/26/00/43/557260043.db2.gz JPTBWKNQOCPKMU-MRXNPFEDSA-N 0 0 429.521 1.173 50 0 IDAARN CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NC[C@H](O)c2ccccc2)C1=O ZINC000101457841 557287495 /nfs/dbraw/zinc/28/74/95/557287495.db2.gz MRBHLMSNSDQHIY-IRXDYDNUSA-N 0 0 446.301 1.823 50 0 IDAARN CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NC[C@@H](O)c2ccccc2)C1=O ZINC000101457845 557287517 /nfs/dbraw/zinc/28/75/17/557287517.db2.gz MRBHLMSNSDQHIY-SJORKVTESA-N 0 0 446.301 1.823 50 0 IDAARN O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000031811356 557294097 /nfs/dbraw/zinc/29/40/97/557294097.db2.gz CZPMHCFPELUQCA-IBGZPJMESA-N 0 0 438.503 1.639 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000013165341 557298406 /nfs/dbraw/zinc/29/84/06/557298406.db2.gz CUEWFDWIJVANTR-LJQANCHMSA-N 0 0 432.546 1.961 50 0 IDAARN O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 ZINC000023134743 557306972 /nfs/dbraw/zinc/30/69/72/557306972.db2.gz ZHHLUIRFBUFKLK-UHFFFAOYSA-N 0 0 428.399 1.627 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000014142259 557310388 /nfs/dbraw/zinc/31/03/88/557310388.db2.gz USVZIZBROZXBDA-MRXNPFEDSA-N 0 0 436.530 1.844 50 0 IDAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000014142260 557310436 /nfs/dbraw/zinc/31/04/36/557310436.db2.gz USVZIZBROZXBDA-INIZCTEOSA-N 0 0 436.530 1.844 50 0 IDAARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000102127874 557312876 /nfs/dbraw/zinc/31/28/76/557312876.db2.gz CNAZYGMDGCHVOP-CWRNSKLLSA-N 0 0 430.457 1.529 50 0 IDAARN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000032716704 557313739 /nfs/dbraw/zinc/31/37/39/557313739.db2.gz KVILZQGLHKSWRT-HXUWFJFHSA-N 0 0 430.480 1.956 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000032885646 557317715 /nfs/dbraw/zinc/31/77/15/557317715.db2.gz CPSWBMRVZVFSFT-UHFFFAOYSA-N 0 0 434.484 1.811 50 0 IDAARN Cc1[nH]c(C)c(S(=O)(=O)NCCC(=O)Nc2nccs2)c1C(=O)N1CCCC1 ZINC000032996372 557321877 /nfs/dbraw/zinc/32/18/77/557321877.db2.gz CSSBIHIINFVMLL-UHFFFAOYSA-N 0 0 425.536 1.631 50 0 IDAARN CNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)NC4CCCCC4)c(=O)c3s2)C1 ZINC000033141149 557325775 /nfs/dbraw/zinc/32/57/75/557325775.db2.gz YDMLXKIPFOLVTO-CYBMUJFWSA-N 0 0 432.550 1.264 50 0 IDAARN Cn1c2nc(NCc3ccc4c(c3)OCO4)n(Cc3cccc(F)c3)c2c(=O)n(C)c1=O ZINC000000832604 557326389 /nfs/dbraw/zinc/32/63/89/557326389.db2.gz JZCIOSOQUBRGCZ-UHFFFAOYSA-N 0 0 437.431 1.962 50 0 biogenic IDAARN C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 ZINC000014238075 557327989 /nfs/dbraw/zinc/32/79/89/557327989.db2.gz MQRDZQAXZCPWEZ-MRXNPFEDSA-N 0 0 449.529 1.625 50 0 IDAARN Cc1cc(=O)c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1-c1ccccc1F ZINC000014237362 557328141 /nfs/dbraw/zinc/32/81/41/557328141.db2.gz IIWQBPJXJMSHHF-UHFFFAOYSA-N 0 0 430.461 1.300 50 0 IDAARN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000014239225 557328187 /nfs/dbraw/zinc/32/81/87/557328187.db2.gz FAERPQIMQZYLND-BFYDXBDKSA-N 0 0 438.546 1.994 50 0 IDAARN O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000222043687 557332938 /nfs/dbraw/zinc/33/29/38/557332938.db2.gz UZNMOIMHOJGXHS-SZMVWBNQSA-N 0 0 436.530 1.638 50 0 IDAARN COC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(F)(F)F ZINC000100151713 557337451 /nfs/dbraw/zinc/33/74/51/557337451.db2.gz JIOCDSRYXPKRKA-QGZVFWFLSA-N 0 0 432.351 1.320 50 0 IDAARN COC(=O)C(=O)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000023425509 557353483 /nfs/dbraw/zinc/35/34/83/557353483.db2.gz ZYQYUMNBJPKCFR-UHFFFAOYSA-N 0 0 435.271 1.920 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C ZINC000102606944 557354322 /nfs/dbraw/zinc/35/43/22/557354322.db2.gz IPAHLLWFONFBNZ-AJNGGQMLSA-N 0 0 430.457 1.872 50 0 IDAARN O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000023479711 557363587 /nfs/dbraw/zinc/36/35/87/557363587.db2.gz LWMKLGJQYYGJNA-SFHVURJKSA-N 0 0 448.589 1.102 50 0 IDAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(Cc3ccncc3)CC1)C2=O ZINC000023653571 557370482 /nfs/dbraw/zinc/37/04/82/557370482.db2.gz NOHZOGBJXRYYRJ-HXOBKFHXSA-N 0 0 427.549 1.863 50 0 IDAARN CCCCN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000024004947 557390416 /nfs/dbraw/zinc/39/04/16/557390416.db2.gz AFEHOZFCNJBTKC-RNODOKPDSA-N 0 0 437.566 1.362 50 0 IDAARN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)CC1 ZINC000102801008 557390611 /nfs/dbraw/zinc/39/06/11/557390611.db2.gz BMXCIHGNNALWPZ-HJWRWDBZSA-N 0 0 434.543 1.888 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)nn1C ZINC000011693841 557391875 /nfs/dbraw/zinc/39/18/75/557391875.db2.gz UVCIISYBUSWVBF-ZDUSSCGKSA-N 0 0 448.480 1.957 50 0 IDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000102847089 557394540 /nfs/dbraw/zinc/39/45/40/557394540.db2.gz JOQRVAJXADVMSN-QZTJIDSGSA-N 0 0 433.530 1.975 50 0 IDAARN COc1ccc(-c2noc(CCN3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2)cc1OC ZINC000072404423 557395952 /nfs/dbraw/zinc/39/59/52/557395952.db2.gz DFKCSGRCAROIQC-INIZCTEOSA-N 0 0 436.534 1.101 50 0 IDAARN CCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000102860733 557401362 /nfs/dbraw/zinc/40/13/62/557401362.db2.gz RZSSLCQNNAGTQY-LCWAXJCOSA-N 0 0 431.482 1.239 50 0 IDAARN CN(C(=O)CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000033548606 557409960 /nfs/dbraw/zinc/40/99/60/557409960.db2.gz HWDWJIAVOHSXBA-QTNMRXCUSA-N 0 0 426.491 1.898 50 0 IDAARN CC(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000408512940 557411763 /nfs/dbraw/zinc/41/17/63/557411763.db2.gz DCCUZYPKIHSHNW-NRFANRHFSA-N 0 0 444.513 1.863 50 0 IDAARN COc1ccccc1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000102988032 557414332 /nfs/dbraw/zinc/41/43/32/557414332.db2.gz SGQPUDPDOMLLPG-QGZVFWFLSA-N 0 0 447.488 1.473 50 0 IDAARN C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000103125949 557419728 /nfs/dbraw/zinc/41/97/28/557419728.db2.gz MMEJCLBULUBJBT-BPUTZDHNSA-N 0 0 428.441 1.669 50 0 IDAARN O=S(=O)(c1ccc(Br)s1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000103320881 557433843 /nfs/dbraw/zinc/43/38/43/557433843.db2.gz DPHKWWOJLQPHRO-QWRGUYRKSA-N 0 0 444.394 1.867 50 0 IDAARN C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000104123744 557450669 /nfs/dbraw/zinc/45/06/69/557450669.db2.gz WSRCNHNFYBLVAN-SDADXPQNSA-N 0 0 430.457 1.892 50 0 IDAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1)C(=O)N1CCNC1=O ZINC000104860095 557462421 /nfs/dbraw/zinc/46/24/21/557462421.db2.gz YHPACABNPXGZGJ-QLFBSQMISA-N 0 0 437.518 1.450 50 0 IDAARN NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000016092685 557469293 /nfs/dbraw/zinc/46/92/93/557469293.db2.gz SINJWVPFZRUWQX-UHFFFAOYSA-N 0 0 425.351 1.679 50 0 IDAARN O=C(CN1CCC[C@@H]1c1nnc2ccccn21)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000105553529 557507506 /nfs/dbraw/zinc/50/75/06/557507506.db2.gz FFORUPXOIIASJN-KZNAEPCWSA-N 0 0 447.561 1.061 50 0 IDAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC000019892040 557509978 /nfs/dbraw/zinc/50/99/78/557509978.db2.gz XVHHESQLJYNVDF-INIZCTEOSA-N 0 0 427.457 1.277 50 0 IDAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c(OC)c1 ZINC000012030640 557523955 /nfs/dbraw/zinc/52/39/55/557523955.db2.gz GOKJLTPDCSXWGY-INIZCTEOSA-N 0 0 439.511 1.917 50 0 IDAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031474 557524474 /nfs/dbraw/zinc/52/44/74/557524474.db2.gz QBGPQHZXJITYPU-ZDUSSCGKSA-N 0 0 441.458 1.768 50 0 IDAARN Cc1cc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)c(F)c3)c(=O)[nH]2)no1 ZINC000012033494 557524702 /nfs/dbraw/zinc/52/47/02/557524702.db2.gz OWPDWLJDNWVMSW-UHFFFAOYSA-N 0 0 436.400 1.910 50 0 IDAARN O=C(c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1)N1CCN(c2ccccc2)CC1 ZINC000012029503 557524910 /nfs/dbraw/zinc/52/49/10/557524910.db2.gz QOGCZTVILYKQDX-HXUWFJFHSA-N 0 0 448.566 1.610 50 0 IDAARN CCN(CCc1ccncc1)C(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029500 557524935 /nfs/dbraw/zinc/52/49/35/557524935.db2.gz LYXYKADUOAPWGY-IBGZPJMESA-N 0 0 436.555 1.747 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)CC1 ZINC000012069804 557526156 /nfs/dbraw/zinc/52/61/56/557526156.db2.gz LDSPLIVXASBOKG-UHFFFAOYSA-N 0 0 432.506 1.703 50 0 IDAARN COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2Cl)cc1 ZINC000012080718 557527504 /nfs/dbraw/zinc/52/75/04/557527504.db2.gz GRRQWZPPMPVJEY-GOSISDBHSA-N 0 0 431.876 1.580 50 0 IDAARN O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000012080751 557527516 /nfs/dbraw/zinc/52/75/16/557527516.db2.gz FTPRGGIIWMVDIM-GOSISDBHSA-N 0 0 445.859 1.300 50 0 IDAARN O=C(NCCc1ccccc1)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012140237 557527949 /nfs/dbraw/zinc/52/79/49/557527949.db2.gz RGMJFMOULNMUIN-LJQANCHMSA-N 0 0 449.504 1.038 50 0 IDAARN CCOC(=O)C1=C(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000107067139 557534525 /nfs/dbraw/zinc/53/45/25/557534525.db2.gz PCSQIPTYKNLCTO-NVXWUHKLSA-N 0 0 435.477 1.493 50 0 IDAARN O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000108479370 557542987 /nfs/dbraw/zinc/54/29/87/557542987.db2.gz VKTYFABUADBNOK-NCOADZHNSA-N 0 0 432.464 1.111 50 0 IDAARN COc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)NC[C@@H]4CCCO4)n3n2)cc1OC ZINC000045925798 557550426 /nfs/dbraw/zinc/55/04/26/557550426.db2.gz WJQYBJRQDKGQSG-ZDUSSCGKSA-N 0 0 445.501 1.489 50 0 IDAARN Cc1ccc(CCNC(=O)c2nc(-c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)no2)cc1 ZINC000045946727 557551020 /nfs/dbraw/zinc/55/10/20/557551020.db2.gz ASKBBCRKSFBEGD-UHFFFAOYSA-N 0 0 446.467 1.571 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCc3ccccc3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946028 557554298 /nfs/dbraw/zinc/55/42/98/557554298.db2.gz CCSWCIUVRYUWDD-UHFFFAOYSA-N 0 0 436.403 1.533 50 0 IDAARN CN(Cc1ccccc1)C(=O)c1nc(-c2nn(-c3ccc(F)cc3)c(=O)n(C)c2=O)no1 ZINC000045946061 557554320 /nfs/dbraw/zinc/55/43/20/557554320.db2.gz UQXMDYDGYUTMSH-UHFFFAOYSA-N 0 0 436.403 1.393 50 0 IDAARN COc1cc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc(OC)c1 ZINC000045970374 557557798 /nfs/dbraw/zinc/55/77/98/557557798.db2.gz IYFQBIMUCBYNCX-UHFFFAOYSA-N 0 0 431.474 1.346 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCN(C(C)=O)C2)ccc1OC ZINC000225429211 557722188 /nfs/dbraw/zinc/72/21/88/557722188.db2.gz FLPITSLQCDUXQE-MRXNPFEDSA-N 0 0 425.551 1.714 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)N3CCn4c(nnc4-c4cccnc4)C3)CC2=O)cc1OC ZINC000225486623 557728719 /nfs/dbraw/zinc/72/87/19/557728719.db2.gz BQBYRIAVNBSVBY-INIZCTEOSA-N 0 0 448.483 1.753 50 0 IDAARN CN1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)CC1 ZINC000040450458 557734221 /nfs/dbraw/zinc/73/42/21/557734221.db2.gz OJOVOVVNSUDKKC-UHFFFAOYSA-N 0 0 428.352 1.684 50 0 IDAARN Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3cc(Cl)ccc3Br)cnc21 ZINC000225607401 557750855 /nfs/dbraw/zinc/75/08/55/557750855.db2.gz CHTYXJZIEVYOLO-UHFFFAOYSA-N 0 0 445.682 1.839 50 0 IDAARN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)n2)c1 ZINC000225644214 557756226 /nfs/dbraw/zinc/75/62/26/557756226.db2.gz CQIQJOOPRYOUFL-ZDUSSCGKSA-N 0 0 447.503 1.744 50 0 IDAARN C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000225684698 557763192 /nfs/dbraw/zinc/76/31/92/557763192.db2.gz VFLGAMVXQVCFFH-INIZCTEOSA-N 0 0 447.561 1.715 50 0 IDAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc2n[nH]nc2c1 ZINC000225832692 557782844 /nfs/dbraw/zinc/78/28/44/557782844.db2.gz CLLNNVSZEAWMEV-KRWDZBQOSA-N 0 0 446.485 1.826 50 0 IDAARN Cc1ccc(S(=O)(=O)NN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000000971714 562919814 /nfs/dbraw/zinc/91/98/14/562919814.db2.gz JOIKXMCUWSZGLA-HNNXBMFYSA-N 0 0 438.303 1.873 50 0 IDAARN CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000001266521 562921077 /nfs/dbraw/zinc/92/10/77/562921077.db2.gz IRBUKOYEHQIQRN-UHFFFAOYSA-N 0 0 446.895 1.404 50 0 IDAARN Cc1cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1 ZINC000002618307 562928397 /nfs/dbraw/zinc/92/83/97/562928397.db2.gz SJTOEQHWKVGAFO-UHFFFAOYSA-N 0 0 427.482 1.706 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000002629320 562928771 /nfs/dbraw/zinc/92/87/71/562928771.db2.gz PSSQVQTXEJXLQU-UHFFFAOYSA-N 0 0 425.489 1.924 50 0 IDAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@H](C)C(=O)NC(N)=O ZINC000002664522 562929709 /nfs/dbraw/zinc/92/97/09/562929709.db2.gz KIYDUIHGLGEIQQ-LLVKDONJSA-N 0 0 425.397 1.232 50 0 IDAARN O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002954148 562931217 /nfs/dbraw/zinc/93/12/17/562931217.db2.gz HLZJWLNQDVTJHI-UHFFFAOYSA-N 0 0 437.562 1.141 50 0 IDAARN Cc1c(NC(=O)[C@H](C)OC(=O)CNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003234187 562933141 /nfs/dbraw/zinc/93/31/41/562933141.db2.gz CSWZMGCSVJBOKX-INIZCTEOSA-N 0 0 436.468 1.785 50 0 IDAARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003289616 562933726 /nfs/dbraw/zinc/93/37/26/562933726.db2.gz UKDHZXYDKCJRTA-UHFFFAOYSA-N 0 0 425.507 1.642 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@H](C)O[C@@H](C)C1 ZINC000003295238 562933897 /nfs/dbraw/zinc/93/38/97/562933897.db2.gz 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ZINC000015943288 563019961 /nfs/dbraw/zinc/01/99/61/563019961.db2.gz MBFVQLUBMRFFCJ-CYBMUJFWSA-N 0 0 438.502 1.372 50 0 IDAARN Cc1ccc(CN2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)cc1 ZINC000017051811 563021263 /nfs/dbraw/zinc/02/12/63/563021263.db2.gz YKCOJEQPFCVFBM-FQEVSTJZSA-N 0 0 441.553 1.877 50 0 IDAARN O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020116633 563023816 /nfs/dbraw/zinc/02/38/16/563023816.db2.gz IVNQZWDCESWYQG-UHFFFAOYSA-N 0 0 442.497 1.215 50 0 IDAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000020117007 563023825 /nfs/dbraw/zinc/02/38/25/563023825.db2.gz MHGCZFJPLAZOGN-UHFFFAOYSA-N 0 0 436.512 1.385 50 0 IDAARN O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000025285933 563027369 /nfs/dbraw/zinc/02/73/69/563027369.db2.gz ZUOSMWCTCNIHJA-UHFFFAOYSA-N 0 0 443.569 1.886 50 0 IDAARN COC(=O)[C@H](C)CN(C)S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000089895834 563180478 /nfs/dbraw/zinc/18/04/78/563180478.db2.gz ZISFLZRDOQMDKV-ZCFIWIBFSA-N 0 0 441.687 1.967 50 0 IDAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1OC ZINC000012029800 568625253 /nfs/dbraw/zinc/62/52/53/568625253.db2.gz XZAVVBKEMGITBM-INIZCTEOSA-N 0 0 439.511 1.917 50 0 IDAARN Cc1nnc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000018974734 568630856 /nfs/dbraw/zinc/63/08/56/568630856.db2.gz XJKFPQVRPJZTCJ-UHFFFAOYSA-N 0 0 428.561 1.276 50 0 IDAARN C[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)N1CCN(c2ccccn2)CC1 ZINC000019077481 568638477 /nfs/dbraw/zinc/63/84/77/568638477.db2.gz NJXRMKHOTPZFEZ-ZDUSSCGKSA-N 0 0 432.531 1.102 50 0 IDAARN O=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)Nc1cccc2nsnc21 ZINC000019080048 568640833 /nfs/dbraw/zinc/64/08/33/568640833.db2.gz MQERMCWOLFLRLG-UHFFFAOYSA-N 0 0 436.497 1.872 50 0 IDAARN O=C(c1ccc(-n2cnnn2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000025176603 568646680 /nfs/dbraw/zinc/64/66/80/568646680.db2.gz DBHQOIHICNMELA-UHFFFAOYSA-N 0 0 438.922 1.524 50 0 IDAARN CN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000001162202 568664537 /nfs/dbraw/zinc/66/45/37/568664537.db2.gz SATZZBPAZYXRGE-UHFFFAOYSA-N 0 0 426.292 1.807 50 0 IDAARN NC(=O)c1c2c(sc1NC(=O)CSc1ncnc3c1cnn3CCO)CCCC2 ZINC000001891279 568742084 /nfs/dbraw/zinc/74/20/84/568742084.db2.gz OQTIDSPBHAUGGS-UHFFFAOYSA-N 0 0 432.531 1.589 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000043942843 568743863 /nfs/dbraw/zinc/74/38/63/568743863.db2.gz XAFUNYSWLORUNS-CMDGGOBGSA-N 0 0 425.485 1.973 50 0 IDAARN C[C@H]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C(N)=O)C1 ZINC000003297852 568745519 /nfs/dbraw/zinc/74/55/19/568745519.db2.gz QDKCOUSQANWOMA-JTQLQIEISA-N 0 0 433.511 1.755 50 0 IDAARN CC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000003346886 568746672 /nfs/dbraw/zinc/74/66/72/568746672.db2.gz VDZLBMGTRMKPGU-FQEVSTJZSA-N 0 0 441.509 1.528 50 0 IDAARN CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2 ZINC000003623288 568751776 /nfs/dbraw/zinc/75/17/76/568751776.db2.gz XJAYMNLXKCRKRP-QGZVFWFLSA-N 0 0 428.342 1.471 50 0 IDAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000003623587 568751783 /nfs/dbraw/zinc/75/17/83/568751783.db2.gz YBTUXVJMISFPKI-LJQANCHMSA-N 0 0 445.357 1.369 50 0 IDAARN NC(=O)CN1c2ccccc2/C(=c2/sc3nc(-c4cccc(Cl)c4)nn3c2=O)C1=O ZINC000003637473 568752193 /nfs/dbraw/zinc/75/21/93/568752193.db2.gz CWDSWMRRBBIDQJ-NXVVXOECSA-N 0 0 437.868 1.221 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1)c1ccncc1 ZINC000003641218 568752362 /nfs/dbraw/zinc/75/23/62/568752362.db2.gz PXSMLEKVUSVFPK-GOSISDBHSA-N 0 0 449.320 1.200 50 0 IDAARN CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000015279154 568754850 /nfs/dbraw/zinc/75/48/50/568754850.db2.gz HEDMPGFUXNFRPJ-UHFFFAOYSA-N 0 0 435.477 1.703 50 0 IDAARN O=C(CCOc1ccccc1)Nc1cnn(CC(=O)NCc2cn3c(n2)SCC3)c1 ZINC000299755239 568755335 /nfs/dbraw/zinc/75/53/35/568755335.db2.gz BYEMGZRSAQYIAG-UHFFFAOYSA-N 0 0 426.502 1.909 50 0 IDAARN COc1ccc([C@@]2(CC(=O)N3CCNC(=O)CC3)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000299794208 568757692 /nfs/dbraw/zinc/75/76/92/568757692.db2.gz IKRHSVHAHRGYTJ-HSZRJFAPSA-N 0 0 427.501 1.373 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c(C)c1 ZINC000015350932 568758796 /nfs/dbraw/zinc/75/87/96/568758796.db2.gz JTCIIXMRONDCGY-UHFFFAOYSA-N 0 0 443.529 1.418 50 0 IDAARN COc1ccc([C@@H](CC(=O)NCC[NH+](C)C)c2c([O-])cc(C)oc2=O)c(OC)c1OC ZINC000263585820 568759244 /nfs/dbraw/zinc/75/92/44/568759244.db2.gz MXXRISZHJNIMIH-OAHLLOKOSA-N 0 0 434.489 1.879 50 0 biogenic IDAARN COc1ccc([C@H](CC(=O)NCC[NH+](C)C)c2c([O-])cc(C)oc2=O)c(OC)c1OC ZINC000263585819 568759314 /nfs/dbraw/zinc/75/93/14/568759314.db2.gz MXXRISZHJNIMIH-HNNXBMFYSA-N 0 0 434.489 1.879 50 0 biogenic IDAARN Cc1c(C)[n+]([O-])c([C@@H](c2coc3ccccc3c2=O)C2C(=O)OC(C)(C)OC2=O)n1C ZINC000263587492 568760672 /nfs/dbraw/zinc/76/06/72/568760672.db2.gz HMFBEQQEUINYEB-INIZCTEOSA-N 0 0 426.425 1.966 50 0 IDAARN COCCNC(=O)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2F)C3)CC1 ZINC000263617031 568777061 /nfs/dbraw/zinc/77/70/61/568777061.db2.gz LTDVHHZFROIBAQ-HXUWFJFHSA-N 0 0 432.500 1.599 50 0 IDAARN COc1ccc([C@@H]2Cn3nnc(CN4CCC(NC(=O)c5cnccn5)CC4)c3CO2)cc1 ZINC000263619297 568778048 /nfs/dbraw/zinc/77/80/48/568778048.db2.gz YAAPKVCSDYXDMR-QFIPXVFZSA-N 0 0 449.515 1.743 50 0 IDAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1F ZINC000025763665 568779664 /nfs/dbraw/zinc/77/96/64/568779664.db2.gz FURFGKUPWNKBTQ-GOSISDBHSA-N 0 0 435.452 1.603 50 0 IDAARN COc1cc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC ZINC000032106566 568781194 /nfs/dbraw/zinc/78/11/94/568781194.db2.gz ZEPQLEBGRBXMOB-AWEZNQCLSA-N 0 0 427.457 1.820 50 0 IDAARN CCS(=O)(=O)N1CCC(C(=O)Nc2c3c(c(OC)c4c2CCN(C)C4)OCO3)CC1 ZINC000032123786 568781679 /nfs/dbraw/zinc/78/16/79/568781679.db2.gz PNUZQCRJGABQPK-UHFFFAOYSA-N 0 0 439.534 1.412 50 0 biogenic IDAARN CCn1c(=O)c(-c2noc(C(=O)NCCc3ccco3)n2)nn(-c2ccc(C)cc2)c1=O ZINC000045946507 568783743 /nfs/dbraw/zinc/78/37/43/568783743.db2.gz YPLSOMGCOPEPTH-UHFFFAOYSA-N 0 0 436.428 1.338 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCOc1ccc(F)cc1 ZINC000083967439 568787494 /nfs/dbraw/zinc/78/74/94/568787494.db2.gz AKLGWJFOMCMJFT-AWEZNQCLSA-N 0 0 437.493 1.567 50 0 IDAARN CCn1ncc(Br)c1C(=O)Nc1cnn(C)c1C(=O)NCc1cnn(C)c1 ZINC000002798915 568789242 /nfs/dbraw/zinc/78/92/42/568789242.db2.gz SOXMWLLKHURFHW-UHFFFAOYSA-N 0 0 435.286 1.315 50 0 IDAARN CSc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000083992985 568789724 /nfs/dbraw/zinc/78/97/24/568789724.db2.gz FWTLKCNMJADLOZ-OAHLLOKOSA-N 0 0 433.577 1.075 50 0 IDAARN CSc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000083992988 568789776 /nfs/dbraw/zinc/78/97/76/568789776.db2.gz FWTLKCNMJADLOZ-HNNXBMFYSA-N 0 0 433.577 1.075 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ncccn2)cc1 ZINC000084012329 568789945 /nfs/dbraw/zinc/78/99/45/568789945.db2.gz LJJJZNXXBZTWCM-ZDUSSCGKSA-N 0 0 430.490 1.925 50 0 IDAARN COc1ccc2nc(C)c(C(=O)NCC(=O)Nc3cccc4c(=O)[nH][nH]c(=O)c34)cc2c1 ZINC000084028566 568790159 /nfs/dbraw/zinc/79/01/59/568790159.db2.gz BBQWMZAZLKHSQW-UHFFFAOYSA-N 0 0 433.424 1.862 50 0 IDAARN Cc1c(C(=O)NC[C@H]2COCCO2)nnn1-c1ccc(I)cc1 ZINC000084057906 568790789 /nfs/dbraw/zinc/79/07/89/568790789.db2.gz VGKCMZQFCDPVLF-ZDUSSCGKSA-N 0 0 428.230 1.326 50 0 IDAARN CCOC(=O)COc1ccc(-c2nnn(CC(=O)Nc3ccccc3C(=O)OC)n2)cc1 ZINC000001423925 568793577 /nfs/dbraw/zinc/79/35/77/568793577.db2.gz IGUHBEYNOHCLRM-UHFFFAOYSA-N 0 0 439.428 1.707 50 0 IDAARN CC(=O)c1nnn(-c2nc(N(C(C)C)C(C)C)nc(-n3nnc(C(C)=O)c3C)n2)c1C ZINC000001429288 568794334 /nfs/dbraw/zinc/79/43/34/568794334.db2.gz ZKCRXIRPJXBBQP-UHFFFAOYSA-N 0 0 426.485 1.678 50 0 IDAARN CCn1c(Cn2nnc(-c3ccc(C)cc3)n2)nn([C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S ZINC000001432443 568795247 /nfs/dbraw/zinc/79/52/47/568795247.db2.gz XAWWFIUGBZWPBZ-XUWXXGDYSA-N 0 0 427.490 1.700 50 0 IDAARN Cc1nn(CC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000015573652 568798498 /nfs/dbraw/zinc/79/84/98/568798498.db2.gz MNQZEZWGPGIYBN-LJQANCHMSA-N 0 0 432.546 1.715 50 0 IDAARN O=S(=O)(NCCNc1nnnn1-c1ccccc1)c1ccc(Br)s1 ZINC000084572657 568798848 /nfs/dbraw/zinc/79/88/48/568798848.db2.gz HKPMSNCDZJQOIN-UHFFFAOYSA-N 0 0 429.325 1.877 50 0 IDAARN C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000084637074 568799389 /nfs/dbraw/zinc/79/93/89/568799389.db2.gz JSDDLXGXAQHGDV-QRWLVFNGSA-N 0 0 433.530 1.413 50 0 IDAARN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCO1 ZINC000084636632 568799431 /nfs/dbraw/zinc/79/94/31/568799431.db2.gz RFFVCYOTQMSWQN-WBAXXEDZSA-N 0 0 445.520 1.247 50 0 IDAARN CCN(CC(=O)NC(C)C)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000084765457 568801143 /nfs/dbraw/zinc/80/11/43/568801143.db2.gz UCPKRRLMAADBKX-SFHVURJKSA-N 0 0 425.551 1.964 50 0 IDAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 ZINC000015671066 568802342 /nfs/dbraw/zinc/80/23/42/568802342.db2.gz RJBBPKIBEXKGDQ-QGZVFWFLSA-N 0 0 429.498 1.772 50 0 IDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)NC[C@@H]1CCCO1 ZINC000015678547 568805184 /nfs/dbraw/zinc/80/51/84/568805184.db2.gz MZPKXEMKEPRUCB-AWEZNQCLSA-N 0 0 439.559 1.205 50 0 IDAARN O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCN(c2ncccn2)CC1 ZINC000015701044 568807599 /nfs/dbraw/zinc/80/75/99/568807599.db2.gz PLRBEOJZAHKQPV-UHFFFAOYSA-N 0 0 435.937 1.877 50 0 IDAARN O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCCN1CCOCC1 ZINC000015722183 568811914 /nfs/dbraw/zinc/81/19/14/568811914.db2.gz ZLDDBPXGCUWRDU-UHFFFAOYSA-N 0 0 448.589 1.654 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)NCCN2CCN(c3cc(Cl)ccc3C)CC2)c[nH]1 ZINC000015731735 568814695 /nfs/dbraw/zinc/81/46/95/568814695.db2.gz HYPWETQPOYTHOR-UHFFFAOYSA-N 0 0 440.953 1.864 50 0 IDAARN COc1ccc(OC)c(CCNC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)c1 ZINC000012003153 568819375 /nfs/dbraw/zinc/81/93/75/568819375.db2.gz FNZFCCXWOUHULU-AWEZNQCLSA-N 0 0 432.498 1.989 50 0 IDAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000015766545 568821597 /nfs/dbraw/zinc/82/15/97/568821597.db2.gz TYIYINWHNJGLAF-AWEZNQCLSA-N 0 0 433.461 1.977 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)N1CCN(CC)CC1)N2C(C)=O ZINC000015775922 568823638 /nfs/dbraw/zinc/82/36/38/568823638.db2.gz UYFYQNWJEZWOKO-FQEVSTJZSA-N 0 0 436.578 1.159 50 0 IDAARN CNS(=O)(=O)Cc1ccc(CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1 ZINC000026026323 568824266 /nfs/dbraw/zinc/82/42/66/568824266.db2.gz YGVIDTBDLUUKJT-BQFCYCMXSA-N 0 0 440.591 1.078 50 0 IDAARN CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000085650823 568830899 /nfs/dbraw/zinc/83/08/99/568830899.db2.gz QTVQMMZYDQSAHP-UHFFFAOYSA-N 0 0 430.530 1.456 50 0 IDAARN CC(C)CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC(=O)N1CCOCC1 ZINC000085651780 568831465 /nfs/dbraw/zinc/83/14/65/568831465.db2.gz KZFIBQAHVBPWEP-UHFFFAOYSA-N 0 0 427.548 1.246 50 0 IDAARN COC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OC)n3)n2)n1 ZINC000001505284 568834099 /nfs/dbraw/zinc/83/40/99/568834099.db2.gz DCVZRAPVEYIVIQ-UHFFFAOYSA-N 0 0 435.396 1.949 50 0 IDAARN COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)cc1OC ZINC000015786578 568836339 /nfs/dbraw/zinc/83/63/39/568836339.db2.gz ZAOHWZTWRAYRIG-UHFFFAOYSA-N 0 0 429.520 1.539 50 0 IDAARN Cn1c2nc(NCCCN3CCOCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000019973828 568836832 /nfs/dbraw/zinc/83/68/32/568836832.db2.gz XIRBATSNFNDZKW-UHFFFAOYSA-N 0 0 426.521 1.190 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(ncc(C)c3OCC)n(C)c2=O)cc1 ZINC000015880402 568854126 /nfs/dbraw/zinc/85/41/26/568854126.db2.gz FFCCZOVKXUNHCN-UHFFFAOYSA-N 0 0 440.456 1.618 50 0 IDAARN Cc1nnc(NC(=O)CSc2c(CC(C)C)cnc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000015883695 568857825 /nfs/dbraw/zinc/85/78/25/568857825.db2.gz YNPQAEZOKJSGRG-UHFFFAOYSA-N 0 0 434.547 1.721 50 0 IDAARN COCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000015883781 568857968 /nfs/dbraw/zinc/85/79/68/568857968.db2.gz PWPWIAZTASZRKA-UHFFFAOYSA-N 0 0 442.497 1.712 50 0 IDAARN Cc1c2cnn(CC(=O)NCCN3CCOCC3)c(=O)c2c(C)n1Cc1ccc(C)cc1 ZINC000015941284 568859442 /nfs/dbraw/zinc/85/94/42/568859442.db2.gz PMLYSEWXDLRJDE-UHFFFAOYSA-N 0 0 437.544 1.620 50 0 IDAARN CCc1ccc2c(c1)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968075 568861216 /nfs/dbraw/zinc/86/12/16/568861216.db2.gz QYGAWXRFFNIKCQ-BINBFKAUSA-N 0 0 446.507 1.088 50 0 biogenic IDAARN COc1ccc2nc(C(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ccc2c1 ZINC000012938506 568867655 /nfs/dbraw/zinc/86/76/55/568867655.db2.gz JRKDRJZDVAZGRX-UHFFFAOYSA-N 0 0 430.486 1.995 50 0 IDAARN O=C1C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccc2c(c1)OCCO2 ZINC000016048055 568869316 /nfs/dbraw/zinc/86/93/16/568869316.db2.gz NTRXAMYGAANUFK-CYBMUJFWSA-N 0 0 432.454 1.313 50 0 IDAARN Cc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)sc2c1 ZINC000012946345 568871258 /nfs/dbraw/zinc/87/12/58/568871258.db2.gz FVKBMLLEALHFFJ-UHFFFAOYSA-N 0 0 430.511 1.978 50 0 IDAARN O=C(c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O)N1CCN(c2ncccn2)CC1 ZINC000016226492 568873463 /nfs/dbraw/zinc/87/34/63/568873463.db2.gz RDMJGYNCYUBWCY-UHFFFAOYSA-N 0 0 428.452 1.431 50 0 IDAARN COc1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc(N2CCOCC2)n1 ZINC000575603397 568877813 /nfs/dbraw/zinc/87/78/13/568877813.db2.gz FWCCTPCBMFWYHX-INIZCTEOSA-N 0 0 440.504 1.003 50 0 IDAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nc(N(C)C)nc(N3CCCC3)n2)cc1 ZINC000575606235 568878048 /nfs/dbraw/zinc/87/80/48/568878048.db2.gz GVHULAXEISKHMV-UHFFFAOYSA-N 0 0 446.577 1.579 50 0 IDAARN O=C(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000575606905 568878235 /nfs/dbraw/zinc/87/82/35/568878235.db2.gz GXOGTEMZSVSQDP-CYBMUJFWSA-N 0 0 436.502 1.064 50 0 IDAARN O=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(Cl)s1 ZINC000575607400 568878244 /nfs/dbraw/zinc/87/82/44/568878244.db2.gz SVFZEUCEXLNWNL-UHFFFAOYSA-N 0 0 444.970 1.502 50 0 IDAARN O=S(=O)(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000575608588 568878428 /nfs/dbraw/zinc/87/84/28/568878428.db2.gz OQXASKNGVLPVPU-AWEZNQCLSA-N 0 0 426.482 1.635 50 0 IDAARN COc1ccc(S(=O)(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1OC ZINC000575610989 568879021 /nfs/dbraw/zinc/87/90/21/568879021.db2.gz CXUSXYYEBMAKNT-UHFFFAOYSA-N 0 0 445.494 1.322 50 0 IDAARN Cc1cc2c(cc1NC(=O)CCn1cnc3ccccc3c1=O)N(C)S(=O)(=O)N2C ZINC000575612847 568879647 /nfs/dbraw/zinc/87/96/47/568879647.db2.gz OJPJCAQYCULUAQ-UHFFFAOYSA-N 0 0 427.486 1.865 50 0 IDAARN Cn1c(=O)n(C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)nc1C(F)(F)F ZINC000575615740 568881300 /nfs/dbraw/zinc/88/13/00/568881300.db2.gz JJUCQXZMINJUOI-UHFFFAOYSA-N 0 0 432.424 1.561 50 0 IDAARN CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccccc2Br)CC1 ZINC000575616056 568881486 /nfs/dbraw/zinc/88/14/86/568881486.db2.gz OWGFVBPYSIBOBQ-UHFFFAOYSA-N 0 0 440.385 1.246 50 0 IDAARN Cn1nccc1-c1cncc(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000575616762 568881698 /nfs/dbraw/zinc/88/16/98/568881698.db2.gz PBALOXRWOWVWHQ-UHFFFAOYSA-N 0 0 425.470 1.614 50 0 IDAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cnc3ccc(S(=O)(=O)N4CCOCC4)cc3c2O)C1 ZINC000006296583 568882364 /nfs/dbraw/zinc/88/23/64/568882364.db2.gz AQNRNGKFUIFONJ-GASCZTMLSA-N 0 0 433.530 1.667 50 0 IDAARN COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)cn2)cc1 ZINC000575619275 568882717 /nfs/dbraw/zinc/88/27/17/568882717.db2.gz JIPTYPFDHYFHCS-UHFFFAOYSA-N 0 0 446.511 1.546 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCO3)cn1C ZINC000035478340 568882759 /nfs/dbraw/zinc/88/27/59/568882759.db2.gz QGHMKENKHSIZJG-AWEZNQCLSA-N 0 0 435.458 1.332 50 0 IDAARN Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)Cn3nc(C4CC4)ccc3=O)n2)s1 ZINC000575621126 568883231 /nfs/dbraw/zinc/88/32/31/568883231.db2.gz VJPOWKNWMQSLMF-UHFFFAOYSA-N 0 0 426.502 1.234 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NC2CCCCCC2)cc1 ZINC000009576386 568884133 /nfs/dbraw/zinc/88/41/33/568884133.db2.gz LDHNECROQLGRHX-LJQANCHMSA-N 0 0 437.562 1.687 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)NC(=O)CO3)C2=O ZINC000010761907 568884672 /nfs/dbraw/zinc/88/46/72/568884672.db2.gz QTVDSTIGLFTFKV-GTJPDFRWSA-N 0 0 429.429 1.244 50 0 IDAARN CN(CC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000225352689 568885146 /nfs/dbraw/zinc/88/51/46/568885146.db2.gz KRJBVVJCMRLVKJ-YOEHRIQHSA-N 0 0 431.961 1.851 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)CC1 ZINC000090504311 568886594 /nfs/dbraw/zinc/88/65/94/568886594.db2.gz JLTSEZSYEQKAJI-UHFFFAOYSA-N 0 0 432.546 1.799 50 0 IDAARN C[C@@H]1CN(c2ccccc2NC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000229832607 568886994 /nfs/dbraw/zinc/88/69/94/568886994.db2.gz APBUAPMFJPLGFK-OAGGEKHMSA-N 0 0 438.550 1.115 50 0 IDAARN CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)C2 ZINC000090609662 568891611 /nfs/dbraw/zinc/89/16/11/568891611.db2.gz JFWMRANYSQARLC-AWEZNQCLSA-N 0 0 430.530 1.840 50 0 IDAARN Cc1cc([C@@H](O)CCNC(=O)C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c(C)o1 ZINC000090613515 568892443 /nfs/dbraw/zinc/89/24/43/568892443.db2.gz KMBGFJVNDPQRBW-IBGZPJMESA-N 0 0 449.529 1.787 50 0 IDAARN O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000090613895 568892527 /nfs/dbraw/zinc/89/25/27/568892527.db2.gz SWFHSCCCBCCFIO-UHFFFAOYSA-N 0 0 440.481 1.710 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1 ZINC000013059294 568892609 /nfs/dbraw/zinc/89/26/09/568892609.db2.gz NMCBVJIYJFUJKA-MDZDMXLPSA-N 0 0 445.522 1.859 50 0 IDAARN COCc1ccccc1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000012981179 568894392 /nfs/dbraw/zinc/89/43/92/568894392.db2.gz NPXIFWCUWDSVOM-UHFFFAOYSA-N 0 0 433.530 1.853 50 0 IDAARN O=C(CCNC(=O)c1ccsc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000012982661 568894802 /nfs/dbraw/zinc/89/48/02/568894802.db2.gz KVDDDYZLRSOTLM-UHFFFAOYSA-N 0 0 443.497 1.679 50 0 IDAARN CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)c1 ZINC000013001977 568898250 /nfs/dbraw/zinc/89/82/50/568898250.db2.gz OUQPAWMZAQJBGL-MRVPVSSYSA-N 0 0 429.451 1.078 50 0 IDAARN CCC(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000013016172 568901701 /nfs/dbraw/zinc/90/17/01/568901701.db2.gz BWLDIPFIUUVVCU-GFCCVEGCSA-N 0 0 432.340 1.197 50 0 IDAARN COC(=O)c1cn(-c2ccc([C@](O)(C(=O)OC)C(F)(F)F)cc2)cc2c(=O)[nH]nc1-2 ZINC000253415058 568903393 /nfs/dbraw/zinc/90/33/93/568903393.db2.gz ZMAYEFMOHJGEMP-KRWDZBQOSA-N 0 0 425.319 1.375 50 0 IDAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000013029948 568903575 /nfs/dbraw/zinc/90/35/75/568903575.db2.gz GWWNWTSMEOGWBH-MRXNPFEDSA-N 0 0 435.546 1.746 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c3c(nc2N2CCCCCC2)n(C)c(=O)n(C)c3=O)c1 ZINC000006442919 568907239 /nfs/dbraw/zinc/90/72/39/568907239.db2.gz LCEGVKWRPKVAFI-KRWDZBQOSA-N 0 0 441.532 1.562 50 0 IDAARN Cc1ccnc(SCCn2c(N3CCc4ccccc4C3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000006444609 568907294 /nfs/dbraw/zinc/90/72/94/568907294.db2.gz YMPKWHYTOREYBI-UHFFFAOYSA-N 0 0 449.540 1.877 50 0 IDAARN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000001793004 568907982 /nfs/dbraw/zinc/90/79/82/568907982.db2.gz BTFVZDPYFVEGQM-UHFFFAOYSA-N 0 0 449.916 1.058 50 0 IDAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1cccnc1)[C@@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3cccnc3)C(=O)[C@H]21 ZINC000239378406 568911454 /nfs/dbraw/zinc/91/14/54/568911454.db2.gz OROWPZZWTYLNEV-APNJTCTJSA-N 0 0 428.448 1.195 50 0 IDAARN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)NC[C@@H](c1ccco1)N(C)C)c1ccco1 ZINC000239672615 568911669 /nfs/dbraw/zinc/91/16/69/568911669.db2.gz BUESQAGEPDYOBN-MKXGPGLRSA-N 0 0 444.532 1.606 50 0 IDAARN CCOC(=O)C1=C(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)NC(=O)N[C@H]1c1ccco1 ZINC000241588389 568912265 /nfs/dbraw/zinc/91/22/65/568912265.db2.gz PCSQIPTYKNLCTO-WBVHZDCISA-N 0 0 435.477 1.493 50 0 IDAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000245255028 568913628 /nfs/dbraw/zinc/91/36/28/568913628.db2.gz DTLWWGXQJYGKEB-DZKIICNBSA-N 0 0 448.994 1.728 50 0 IDAARN O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCCN2CCCC2=O)CC1 ZINC000245255839 568913744 /nfs/dbraw/zinc/91/37/44/568913744.db2.gz LQNGORHVBWRQRR-KESTWPANSA-N 0 0 442.560 1.468 50 0 IDAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245256546 568913979 /nfs/dbraw/zinc/91/39/79/568913979.db2.gz QXBGUBKPPKYLJO-AZUAARDMSA-N 0 0 448.566 1.414 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)NCC(C)C)CC2)cc1 ZINC000245310988 568914459 /nfs/dbraw/zinc/91/44/59/568914459.db2.gz KXPJBPNDYNYWFB-QAQDUYKDSA-N 0 0 439.578 1.668 50 0 IDAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000245327361 568915051 /nfs/dbraw/zinc/91/50/51/568915051.db2.gz OPNZIEVNEBUACP-NDMNPWGDSA-N 0 0 436.306 1.349 50 0 IDAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C)CC2)cc1N(C)S(C)(=O)=O ZINC000006461795 568918391 /nfs/dbraw/zinc/91/83/91/568918391.db2.gz LSBKHNCOMNWSBX-UHFFFAOYSA-N 0 0 447.579 1.018 50 0 IDAARN CN(C)C(=O)N1CCC(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000089312022 568920846 /nfs/dbraw/zinc/92/08/46/568920846.db2.gz WGVLXLIQSSSKFM-UHFFFAOYSA-N 0 0 435.956 1.816 50 0 IDAARN CCOC(=O)c1cn(-c2nc(N)c(F)cc2F)c2cc(N3CC(O)C3)c(F)cc2c1=O ZINC000261508305 568922477 /nfs/dbraw/zinc/92/24/77/568922477.db2.gz RGDIERBYGBKOBA-UHFFFAOYSA-N 0 0 434.374 1.743 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CN(C3CC3)CCO2)ccc1Br ZINC000089404345 568922691 /nfs/dbraw/zinc/92/26/91/568922691.db2.gz DJMKLPDUKARPKC-GFCCVEGCSA-N 0 0 433.324 1.377 50 0 IDAARN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000089486499 568926721 /nfs/dbraw/zinc/92/67/21/568926721.db2.gz RTWFVKRXDUAMRB-GFCCVEGCSA-N 0 0 444.510 1.108 50 0 IDAARN CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000089490214 568926736 /nfs/dbraw/zinc/92/67/36/568926736.db2.gz RKYINZCAYGIIIB-YLJYHZDGSA-N 0 0 438.571 1.251 50 0 IDAARN COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)C1 ZINC000169302958 568931705 /nfs/dbraw/zinc/93/17/05/568931705.db2.gz XBDLVJDWYHIRAI-NVXWUHKLSA-N 0 0 449.573 1.538 50 0 IDAARN Cc1ccc(CNC(=O)CCC(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000064565427 568932322 /nfs/dbraw/zinc/93/23/22/568932322.db2.gz AGPFJGNDWXTMND-UHFFFAOYSA-N 0 0 437.544 1.946 50 0 IDAARN Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1F)C2 ZINC000064565472 568932510 /nfs/dbraw/zinc/93/25/10/568932510.db2.gz VFLJEARDBZINGN-UHFFFAOYSA-N 0 0 441.507 1.777 50 0 IDAARN Cc1c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cnn1CCO[C@H]1CCCCO1 ZINC000089544834 568936921 /nfs/dbraw/zinc/93/69/21/568936921.db2.gz GCERJPSZEVOTRK-QFIPXVFZSA-N 0 0 447.580 1.505 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(C)cc2)cc1 ZINC000054306927 568937426 /nfs/dbraw/zinc/93/74/26/568937426.db2.gz PQLQNMHHFGEQRB-PMACEKPBSA-N 0 0 436.555 1.683 50 0 IDAARN C[C@@H]1CN(C(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)C[C@H](C)O1 ZINC000016689923 568938375 /nfs/dbraw/zinc/93/83/75/568938375.db2.gz WBADWPJAUKPTHN-KDURUIRLSA-N 0 0 441.528 1.977 50 0 IDAARN COC(=O)Cn1ccnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC000089587468 568938736 /nfs/dbraw/zinc/93/87/36/568938736.db2.gz ZEVSHAVSQJOXLH-CYBMUJFWSA-N 0 0 449.305 1.796 50 0 IDAARN CCN(C(=O)Cn1c(=O)c2c(C(=O)OC)cc(C3CC3)nc2n(C)c1=O)c1ccccc1 ZINC000064604660 568938916 /nfs/dbraw/zinc/93/89/16/568938916.db2.gz GFMAXKZQBIKYAC-UHFFFAOYSA-N 0 0 436.468 1.812 50 0 IDAARN Cc1cccc(-c2csc3c2[nH]c(N2CCC(C(=O)NCC(N)=O)CC2)nc3=O)c1 ZINC000064611806 568941492 /nfs/dbraw/zinc/94/14/92/568941492.db2.gz GNVOEKDXFOFZCM-UHFFFAOYSA-N 0 0 425.514 1.778 50 0 IDAARN COc1ccc(OCCN2CC(=O)N(c3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000036080500 568946570 /nfs/dbraw/zinc/94/65/70/568946570.db2.gz MSVMODRYBHBVSK-LEWJYISDSA-N 0 0 430.526 1.897 50 0 IDAARN O=C(NC[C@H]1CCCO1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085150 568947692 /nfs/dbraw/zinc/94/76/92/568947692.db2.gz FXUNLIVYVAKNIT-MRXNPFEDSA-N 0 0 442.422 1.630 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3ccc(F)cc3)c2=O)cc1 ZINC000036085517 568948174 /nfs/dbraw/zinc/94/81/74/568948174.db2.gz ZLGMRTJAICZZAQ-LJQANCHMSA-N 0 0 438.459 1.799 50 0 IDAARN O=C(NCc1ccccn1)c1nn(-c2ccccc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036086099 568948500 /nfs/dbraw/zinc/94/85/00/568948500.db2.gz IAHFBHMRBGAOEE-UHFFFAOYSA-N 0 0 431.427 1.907 50 0 IDAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036087297 568948814 /nfs/dbraw/zinc/94/88/14/568948814.db2.gz PAGNDPYAGPCDKE-OAHLLOKOSA-N 0 0 438.484 1.988 50 0 IDAARN Cc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086577 568948938 /nfs/dbraw/zinc/94/89/38/568948938.db2.gz HSOMUZSZLNVGEL-SFHVURJKSA-N 0 0 438.459 1.799 50 0 IDAARN Cc1cccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000036086837 568949247 /nfs/dbraw/zinc/94/92/47/568949247.db2.gz PXCSHDCBJCUVON-IBGZPJMESA-N 0 0 438.459 1.799 50 0 IDAARN Cc1cccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3cccc(F)c3)c2=O)c1 ZINC000036087037 568949326 /nfs/dbraw/zinc/94/93/26/568949326.db2.gz ZQIJFHBJFXDDLC-IBGZPJMESA-N 0 0 438.459 1.799 50 0 IDAARN COCCCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000036087032 568949434 /nfs/dbraw/zinc/94/94/34/568949434.db2.gz MPNVHYSWNVNGPT-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN CCN(CC)C(=O)c1nn(-c2cccc(OC)c2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036087731 568949805 /nfs/dbraw/zinc/94/98/05/568949805.db2.gz IMAKRHDBQLDRCZ-UHFFFAOYSA-N 0 0 438.484 1.942 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCOCC3)nn(-c3ccc(C)c(F)c3)c2=O)c1 ZINC000036088875 568949843 /nfs/dbraw/zinc/94/98/43/568949843.db2.gz MAVUSPWIQUTJFT-UHFFFAOYSA-N 0 0 438.459 1.671 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2ccccc2)c1=O ZINC000036088716 568949963 /nfs/dbraw/zinc/94/99/63/568949963.db2.gz BTKUDXWQFQIPQZ-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CC(=O)N4CCc5ccccc5[C@@H]4C3)ccc21 ZINC000036108752 568953668 /nfs/dbraw/zinc/95/36/68/568953668.db2.gz BHIDABILCZRCFU-NRFANRHFSA-N 0 0 425.510 1.726 50 0 IDAARN CCCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000006721386 568963313 /nfs/dbraw/zinc/96/33/13/568963313.db2.gz INAZQBTWIKHSNN-INIZCTEOSA-N 0 0 429.521 1.866 50 0 IDAARN COC(=O)Cn1c2ccc(S(=O)(=O)NCc3cc(OC)ccc3OC)cc2oc1=O ZINC000064818799 568965492 /nfs/dbraw/zinc/96/54/92/568965492.db2.gz QXNAVNAYLJXAIS-UHFFFAOYSA-N 0 0 436.442 1.263 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)=O)cc2)cn1C ZINC000064818919 568965705 /nfs/dbraw/zinc/96/57/05/568965705.db2.gz NQZODGKPIRBRSB-KRWDZBQOSA-N 0 0 433.486 1.806 50 0 IDAARN COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000064837141 568969502 /nfs/dbraw/zinc/96/95/02/568969502.db2.gz HIVZXOKFSNTLPC-UHFFFAOYSA-N 0 0 440.525 1.952 50 0 IDAARN COCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)NC(C)C)CC1 ZINC000036214081 568977068 /nfs/dbraw/zinc/97/70/68/568977068.db2.gz FHWJYTSLGTYXDF-IBGZPJMESA-N 0 0 434.537 1.386 50 0 IDAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccccc2C)C(=O)NCCCOC)CC1 ZINC000036214483 568977269 /nfs/dbraw/zinc/97/72/69/568977269.db2.gz BJKFZTJLWSXXKB-LJQANCHMSA-N 0 0 434.606 1.853 50 0 IDAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCC2)CC1 ZINC000036214578 568977458 /nfs/dbraw/zinc/97/74/58/568977458.db2.gz FOTZATHOJLFFOE-LJQANCHMSA-N 0 0 446.573 1.743 50 0 IDAARN COc1ccc(C)cc1NC(=O)Cn1c2nccnc2c(=O)n(Cc2ccccc2)c1=O ZINC000064874305 568978589 /nfs/dbraw/zinc/97/85/89/568978589.db2.gz XYDCIYSQQZCXHC-UHFFFAOYSA-N 0 0 431.452 1.957 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21)NCc1ccccc1Cl ZINC000064874363 568978592 /nfs/dbraw/zinc/97/85/92/568978592.db2.gz XFKFHTMAWQBPOF-UHFFFAOYSA-N 0 0 435.871 1.971 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036227575 568978610 /nfs/dbraw/zinc/97/86/10/568978610.db2.gz SIBGVGLWNPRPPJ-UHFFFAOYSA-N 0 0 435.477 1.557 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21)NCc1ccc(Cl)cc1 ZINC000064874369 568978636 /nfs/dbraw/zinc/97/86/36/568978636.db2.gz KRLZMPPVMKHZIO-UHFFFAOYSA-N 0 0 435.871 1.971 50 0 IDAARN CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000036227776 568978736 /nfs/dbraw/zinc/97/87/36/568978736.db2.gz KZTRLOWWKQATFG-UHFFFAOYSA-N 0 0 444.557 1.854 50 0 IDAARN COc1cccc(CNC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)c1 ZINC000064887554 568978933 /nfs/dbraw/zinc/97/89/33/568978933.db2.gz OCSHWUQXFBUJHL-UHFFFAOYSA-N 0 0 449.442 1.466 50 0 IDAARN COc1ccc(Cn2c(=O)c3nccnc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1 ZINC000064887631 568978940 /nfs/dbraw/zinc/97/89/40/568978940.db2.gz QLIQIRVVUAMLRB-UHFFFAOYSA-N 0 0 445.479 1.635 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2nccnc21)NCc1ccccc1 ZINC000064887588 568978942 /nfs/dbraw/zinc/97/89/42/568978942.db2.gz DVRSVMSIUJXVJL-UHFFFAOYSA-N 0 0 435.871 1.971 50 0 IDAARN COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccccc3OC)c2=O)c1 ZINC000064887676 568979133 /nfs/dbraw/zinc/97/91/33/568979133.db2.gz ZNLMMVLDHSWFHJ-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)NC[C@@H]1CCCO1 ZINC000064889010 568980036 /nfs/dbraw/zinc/98/00/36/568980036.db2.gz ZGODFCXZDPMUDD-LBPRGKRZSA-N 0 0 448.467 1.991 50 0 IDAARN COc1ccccc1CNC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064889202 568980218 /nfs/dbraw/zinc/98/02/18/568980218.db2.gz VQXGRNBECSRHFI-UHFFFAOYSA-N 0 0 443.529 1.931 50 0 IDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)c1 ZINC000064889596 568980431 /nfs/dbraw/zinc/98/04/31/568980431.db2.gz BVXDCKNUBHCPHI-UHFFFAOYSA-N 0 0 445.497 1.481 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3cccs3)CC1)O[C@@H](C)C(=O)N2 ZINC000064889714 568980592 /nfs/dbraw/zinc/98/05/92/568980592.db2.gz ZEGXNPDZQMXARS-ZDUSSCGKSA-N 0 0 435.527 1.923 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1F ZINC000064889940 568980774 /nfs/dbraw/zinc/98/07/74/568980774.db2.gz LGASWTJVUNOJGI-UHFFFAOYSA-N 0 0 433.461 1.612 50 0 IDAARN O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064889933 568980776 /nfs/dbraw/zinc/98/07/76/568980776.db2.gz BMFLNXXEUOKSLU-RMKNXTFCSA-N 0 0 427.482 1.564 50 0 IDAARN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000064889934 568980810 /nfs/dbraw/zinc/98/08/10/568980810.db2.gz AOWHKWLAQFELNT-UHFFFAOYSA-N 0 0 429.498 1.402 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccco4)CC3)cc2NC1=O ZINC000064890056 568980827 /nfs/dbraw/zinc/98/08/27/568980827.db2.gz MHXUCPBLFIUBJU-BTKRWWFXSA-N 0 0 431.470 1.545 50 0 IDAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2NC1=O ZINC000064890210 568981126 /nfs/dbraw/zinc/98/11/26/568981126.db2.gz WLNATXLQSMUYPY-GOSISDBHSA-N 0 0 429.498 1.943 50 0 IDAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccncc4)CC3)cc2NC1=O ZINC000064890200 568981174 /nfs/dbraw/zinc/98/11/74/568981174.db2.gz LXYNCDYXECZHKR-QGZVFWFLSA-N 0 0 430.486 1.338 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)OCC(=O)N2 ZINC000064920928 568985573 /nfs/dbraw/zinc/98/55/73/568985573.db2.gz MVNGVPJONPKBRS-QGZVFWFLSA-N 0 0 429.498 1.795 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cccs1)OCC(=O)N2 ZINC000064920888 568985583 /nfs/dbraw/zinc/98/55/83/568985583.db2.gz VVVLRUOBLCWMSS-OAHLLOKOSA-N 0 0 435.527 1.857 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1)OCC(=O)N2 ZINC000064920869 568985588 /nfs/dbraw/zinc/98/55/88/568985588.db2.gz SCFXNYKFAVEWMS-KRWDZBQOSA-N 0 0 447.488 1.935 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1cccs1)OCC(=O)N2 ZINC000064920890 568985624 /nfs/dbraw/zinc/98/56/24/568985624.db2.gz VVVLRUOBLCWMSS-HNNXBMFYSA-N 0 0 435.527 1.857 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)n1C ZINC000064923088 568986260 /nfs/dbraw/zinc/98/62/60/568986260.db2.gz FSHQBRBFBBUUQT-UHFFFAOYSA-N 0 0 435.502 1.355 50 0 IDAARN COC(=O)CNC(=O)N1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064926158 568986912 /nfs/dbraw/zinc/98/69/12/568986912.db2.gz CJYWSDZPTYJEQY-UHFFFAOYSA-N 0 0 435.484 1.449 50 0 IDAARN COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)c(OC)c1 ZINC000064943046 568992454 /nfs/dbraw/zinc/99/24/54/568992454.db2.gz JPYYPZUFLZTTGW-UHFFFAOYSA-N 0 0 429.454 1.732 50 0 IDAARN CCN1C(=O)c2c(C(=O)N3CCOCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953211 568997439 /nfs/dbraw/zinc/99/74/39/568997439.db2.gz ZUXVBHXZMXGLRV-QFIPXVFZSA-N 0 0 443.479 1.045 50 0 IDAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)NC3CC3)c2C(=O)N1C1CC1 ZINC000064954103 568997743 /nfs/dbraw/zinc/99/77/43/568997743.db2.gz RQWFIDRFZSCXDN-JOCHJYFZSA-N 0 0 425.464 1.608 50 0 IDAARN O=C(CN1C(=O)COc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21)N1CCCC1 ZINC000064956666 568998273 /nfs/dbraw/zinc/99/82/73/568998273.db2.gz ZZIHRXCTPNYYKH-UHFFFAOYSA-N 0 0 437.452 1.693 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000064957997 568999110 /nfs/dbraw/zinc/99/91/10/568999110.db2.gz NZHBIYVHQFSUCG-KRWDZBQOSA-N 0 0 449.552 1.792 50 0 IDAARN CCOC(=O)Cn1c(=O)n(-c2ccc(F)cc2)c2nc(-c3ccco3)nc(C(N)=O)c21 ZINC000064966006 569000985 /nfs/dbraw/zinc/00/09/85/569000985.db2.gz AIZCRQCZPIMGJB-UHFFFAOYSA-N 0 0 425.376 1.643 50 0 IDAARN CCOC(=O)Cn1c2c(nc(-c3ccccn3)nc2C(N)=O)n(-c2ccccc2OC)c1=O ZINC000064965780 569001024 /nfs/dbraw/zinc/00/10/24/569001024.db2.gz CKOUMYSJYDVYPL-UHFFFAOYSA-N 0 0 448.439 1.315 50 0 IDAARN Cn1c(=O)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn(-c2ccccc2)c1=O ZINC000064967047 569001573 /nfs/dbraw/zinc/00/15/73/569001573.db2.gz GFIZRFBOHUBQID-UHFFFAOYSA-N 0 0 425.876 1.547 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(OCc2ccc(F)cc2)C1 ZINC000064968508 569001857 /nfs/dbraw/zinc/00/18/57/569001857.db2.gz OCJMEAMOUYLPMO-UHFFFAOYSA-N 0 0 434.489 1.888 50 0 IDAARN O=C(c1n[nH]c2ccccc21)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000036329390 569001860 /nfs/dbraw/zinc/00/18/60/569001860.db2.gz VXRIPCWQPZRIPU-UHFFFAOYSA-N 0 0 428.499 1.714 50 0 IDAARN Cc1noc(C)c1CC(=O)Nc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)co1 ZINC000207955918 569080338 /nfs/dbraw/zinc/08/03/38/569080338.db2.gz QYNYXQYRUFDYCN-UHFFFAOYSA-N 0 0 440.460 1.622 50 0 IDAARN O=C1Nc2ccccc2Oc2cc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)cc21 ZINC000064986575 569082180 /nfs/dbraw/zinc/08/21/80/569082180.db2.gz DPXTZGAPIZWOKK-UHFFFAOYSA-N 0 0 445.497 1.902 50 0 IDAARN O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000036354046 569084059 /nfs/dbraw/zinc/08/40/59/569084059.db2.gz VJSQNKXRBAYYIL-ZDUSSCGKSA-N 0 0 436.515 1.156 50 0 IDAARN CCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)C1=O ZINC000036357542 569085122 /nfs/dbraw/zinc/08/51/22/569085122.db2.gz CLPNRNATXVMMGF-RUZDIDTESA-N 0 0 434.540 1.577 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)NCCN3CCOCC3)cc2)o1 ZINC000036358931 569085369 /nfs/dbraw/zinc/08/53/69/569085369.db2.gz GQGWAADXYJIYTI-UHFFFAOYSA-N 0 0 437.518 1.171 50 0 IDAARN COc1ccc2cc([C@H]3CC(=O)Nc4c3c(C)nn4-c3ccc(=O)[nH]n3)c(=O)n(C)c2c1 ZINC000036359077 569085516 /nfs/dbraw/zinc/08/55/16/569085516.db2.gz YPAPKZWKENQQLY-CQSZACIVSA-N 0 0 432.440 1.599 50 0 IDAARN O=C(CNC(=O)Cn1cnc2ccccc2c1=O)Nc1nnc(Cc2ccccc2)s1 ZINC000036360068 569086280 /nfs/dbraw/zinc/08/62/80/569086280.db2.gz DNJPRLDZJPLOGS-UHFFFAOYSA-N 0 0 434.481 1.594 50 0 IDAARN COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(N3CCCCS3(=O)=O)c2)cc1 ZINC000036359956 569086536 /nfs/dbraw/zinc/08/65/36/569086536.db2.gz OSVIROAHNQVUHZ-UHFFFAOYSA-N 0 0 447.513 1.889 50 0 IDAARN CN(C)C(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)NC3CC3)o2)n1 ZINC000036365734 569087005 /nfs/dbraw/zinc/08/70/05/569087005.db2.gz DATLYTRPKOBCEY-UHFFFAOYSA-N 0 0 432.458 1.904 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)N1CCCCCC1 ZINC000036378405 569088921 /nfs/dbraw/zinc/08/89/21/569088921.db2.gz WVFOWOCBBLMVTD-UHFFFAOYSA-N 0 0 448.589 1.522 50 0 IDAARN COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)c1 ZINC000065032467 569091490 /nfs/dbraw/zinc/09/14/90/569091490.db2.gz LPGMWSNFJOIHBF-UHFFFAOYSA-N 0 0 447.538 1.674 50 0 IDAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)CC1 ZINC000065032615 569091642 /nfs/dbraw/zinc/09/16/42/569091642.db2.gz HNYNDNFOSFPOJR-UHFFFAOYSA-N 0 0 447.538 1.755 50 0 IDAARN Cc1nc(-c2cc(S(=O)(=O)NC(C)C)c(C)n2C)sc1C(=O)N1CCOCC1 ZINC000065036096 569092504 /nfs/dbraw/zinc/09/25/04/569092504.db2.gz CDKQXIIMXAZUFM-UHFFFAOYSA-N 0 0 426.564 1.925 50 0 IDAARN O=C(CN1CCN(C(=O)c2cccs2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000036385134 569092965 /nfs/dbraw/zinc/09/29/65/569092965.db2.gz BNNWPFOWRBYMMS-UHFFFAOYSA-N 0 0 430.486 1.625 50 0 IDAARN COc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccccc4)nc3n(C)c2=O)cc1OC ZINC000065057331 569095158 /nfs/dbraw/zinc/09/51/58/569095158.db2.gz UJPXPTOSJZPOPH-UHFFFAOYSA-N 0 0 447.451 1.813 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)no3)CC2)cc1Br ZINC000036392685 569098393 /nfs/dbraw/zinc/09/83/93/569098393.db2.gz MQNIFGUAQYHKRF-UHFFFAOYSA-N 0 0 444.307 1.901 50 0 IDAARN O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4ncnc5cc(Cl)ccc54)CC3)cc2[nH]1 ZINC000036394442 569098833 /nfs/dbraw/zinc/09/88/33/569098833.db2.gz FTGAEFFWJMAOKD-UHFFFAOYSA-N 0 0 444.904 1.964 50 0 IDAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000065075770 569099749 /nfs/dbraw/zinc/09/97/49/569099749.db2.gz UHGUSOLAKYNCDU-UHFFFAOYSA-N 0 0 445.497 1.677 50 0 IDAARN O=C(NCc1ccccn1)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 ZINC000169772509 569101575 /nfs/dbraw/zinc/10/15/75/569101575.db2.gz IDVIJBIGLSKXOG-UHFFFAOYSA-N 0 0 442.497 1.011 50 0 IDAARN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000065097647 569103987 /nfs/dbraw/zinc/10/39/87/569103987.db2.gz LKZKNAOOJXMYGG-GFCCVEGCSA-N 0 0 426.520 1.800 50 0 IDAARN O=C1[C@@H](N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCN1CC1CC1 ZINC000169792349 569105710 /nfs/dbraw/zinc/10/57/10/569105710.db2.gz SCKZITRVGTXFHV-SFHVURJKSA-N 0 0 435.546 1.165 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)Nc4ccccc4C)c(=O)c3s2)CC1 ZINC000065101014 569105736 /nfs/dbraw/zinc/10/57/36/569105736.db2.gz NZRAEFABGSZKEZ-UHFFFAOYSA-N 0 0 440.529 1.763 50 0 IDAARN CCCNC(=O)C1CCN(c2nc3ncn(CC(=O)N[C@H](C)CC)c(=O)c3s2)CC1 ZINC000065101208 569105740 /nfs/dbraw/zinc/10/57/40/569105740.db2.gz QTOVWEXUNCUJSG-CYBMUJFWSA-N 0 0 434.566 1.510 50 0 IDAARN O=c1n2cccc(S(=O)(=O)N3CCCCCC3)c2nn1Cc1ccc2c(c1)OCO2 ZINC000065129349 569108774 /nfs/dbraw/zinc/10/87/74/569108774.db2.gz FDPXYCAUCJEMON-UHFFFAOYSA-N 0 0 430.486 1.838 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000036431117 569109170 /nfs/dbraw/zinc/10/91/70/569109170.db2.gz JBPXBMHPVXIKNU-CTNGQTDRSA-N 0 0 435.590 1.861 50 0 IDAARN O=C(c1ccc(CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1)N1CCOCC1 ZINC000065130379 569109185 /nfs/dbraw/zinc/10/91/85/569109185.db2.gz VFGOQKNFRJGZLY-UHFFFAOYSA-N 0 0 425.460 1.669 50 0 IDAARN CN1C(=O)CSc2cnn(CC(=O)Nc3ccc(Br)cc3F)c(=O)c21 ZINC000065132388 569109871 /nfs/dbraw/zinc/10/98/71/569109871.db2.gz BTGLUZZKGJDSCP-UHFFFAOYSA-N 0 0 427.255 1.852 50 0 IDAARN COc1ccc(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCSCC2)c(OC)c1 ZINC000065151929 569111477 /nfs/dbraw/zinc/11/14/77/569111477.db2.gz LOPXWZTVSBUBCO-UHFFFAOYSA-N 0 0 440.547 1.105 50 0 IDAARN O=C(Cn1nc2c(N3CCSCC3)nccn2c1=O)NCCc1ccc(Cl)cc1 ZINC000065151712 569111484 /nfs/dbraw/zinc/11/14/84/569111484.db2.gz OFJQMTNALKAVGQ-UHFFFAOYSA-N 0 0 432.937 1.457 50 0 IDAARN CCC(=O)N1CCc2cc(N3C[C@H](C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21 ZINC000065195396 569115429 /nfs/dbraw/zinc/11/54/29/569115429.db2.gz UIDDSUAWPVNIPY-QGZVFWFLSA-N 0 0 427.501 1.704 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)CNC(=O)c4ccccc4)C[C@@H](C2)O3)cc1 ZINC000065225076 569117737 /nfs/dbraw/zinc/11/77/37/569117737.db2.gz AHFSLBAEVVDQAV-KDURUIRLSA-N 0 0 443.525 1.025 50 0 IDAARN COc1ccccc1CC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@H](C1)O2 ZINC000065225078 569117754 /nfs/dbraw/zinc/11/77/54/569117754.db2.gz LCDFWRCGTJYWDW-KDURUIRLSA-N 0 0 430.526 1.847 50 0 IDAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cc4n(n3)CCCNC4=O)CC2)cc1 ZINC000065225889 569117921 /nfs/dbraw/zinc/11/79/21/569117921.db2.gz SYODMNAZEBUHQW-UHFFFAOYSA-N 0 0 445.545 1.933 50 0 IDAARN COc1cc(NC(=O)[C@@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC ZINC000036579851 569119649 /nfs/dbraw/zinc/11/96/49/569119649.db2.gz YHPFXZBAQLXLDT-GFCCVEGCSA-N 0 0 440.456 1.635 50 0 IDAARN CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2N2CCC3(CC2)OCCO3)cc1 ZINC000036585719 569120074 /nfs/dbraw/zinc/12/00/74/569120074.db2.gz RDPMIBMNKRHKNC-QZTJIDSGSA-N 0 0 429.560 1.027 50 0 IDAARN CC1CCN(c2cc(-n3cnc(C(=O)N4CCN(c5ncccn5)CC4)c3)ncn2)CC1 ZINC000065239818 569120687 /nfs/dbraw/zinc/12/06/87/569120687.db2.gz QERDTEYWFNAILS-UHFFFAOYSA-N 0 0 433.520 1.651 50 0 IDAARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 ZINC000524730043 569125947 /nfs/dbraw/zinc/12/59/47/569125947.db2.gz SHRIEBVKGSKUHS-JTDSTZFVSA-N 0 0 444.557 1.872 50 0 biogenic IDAARN COc1cc([C@@H](CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731440 569126496 /nfs/dbraw/zinc/12/64/96/569126496.db2.gz XYBBCSLUKDMCAQ-ZIAGYGMSSA-N 0 0 437.470 1.193 50 0 biogenic IDAARN CC(=O)N1CC(=O)[C@@H]([C@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])c2cccnc2)C1=O ZINC000524732791 569126937 /nfs/dbraw/zinc/12/69/37/569126937.db2.gz NYKSQASWADIOKX-YADHBBJMSA-N 0 0 432.480 1.888 50 0 IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NC[C@@H]1CCS(=O)(=O)C1 ZINC000524734220 569127577 /nfs/dbraw/zinc/12/75/77/569127577.db2.gz KOFAQLCNPADDLU-VBKZILBWSA-N 0 0 439.493 1.352 50 0 IDAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000065270863 569127603 /nfs/dbraw/zinc/12/76/03/569127603.db2.gz ARBVVXDENBFDJA-UHFFFAOYSA-N 0 0 431.496 1.760 50 0 IDAARN COCCn1cnc2ccc(NC(=O)C[C@@H](c3ccsc3)n3cnnn3)cc2c1=O ZINC000524735385 569128162 /nfs/dbraw/zinc/12/81/62/569128162.db2.gz ZFJUKIKWIGFCQK-KRWDZBQOSA-N 0 0 425.474 1.709 50 0 IDAARN C=C1C(N2CCCN(S(=O)(=O)c3cccnc3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065272001 569128826 /nfs/dbraw/zinc/12/88/26/569128826.db2.gz RUPFJGQQUZTYFZ-UHFFFAOYSA-N 0 0 446.554 1.951 50 0 IDAARN O=C(Cn1ncc2c1ncnc2N1CCOCC1)NCc1ccc(Br)cc1 ZINC000065295127 569131276 /nfs/dbraw/zinc/13/12/76/569131276.db2.gz MXQGTYGARSAZDE-UHFFFAOYSA-N 0 0 431.294 1.742 50 0 IDAARN O=C(Cn1ncc2c1ncnc2N1CCOCC1)NCc1cccc(Br)c1 ZINC000065295144 569131366 /nfs/dbraw/zinc/13/13/66/569131366.db2.gz QTDNXTSWVRRHKQ-UHFFFAOYSA-N 0 0 431.294 1.742 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCCCCC4)ccn3c2=O)cc1OC ZINC000065307937 569132655 /nfs/dbraw/zinc/13/26/55/569132655.db2.gz WLBMQDXAMUSZNK-UHFFFAOYSA-N 0 0 426.477 1.927 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCSCC4)ccn3c2=O)cc1Cl ZINC000065308151 569132689 /nfs/dbraw/zinc/13/26/89/569132689.db2.gz VRAQAZGJKVFNER-UHFFFAOYSA-N 0 0 434.909 1.745 50 0 IDAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2cccs2)c1=O)NCc1ccco1 ZINC000065305378 569133178 /nfs/dbraw/zinc/13/31/78/569133178.db2.gz XURNZROHKQOQJK-UHFFFAOYSA-N 0 0 441.494 1.892 50 0 IDAARN Cc1ccccc1NC(=O)Cn1nc2n(c3ccsc3c(=O)n2C[C@H]2CCCO2)c1=O ZINC000065305458 569133209 /nfs/dbraw/zinc/13/32/09/569133209.db2.gz MJTXKIGWFBLOOS-CQSZACIVSA-N 0 0 439.497 1.999 50 0 IDAARN O=C(/C=C/c1ccccc1)N1CCN(c2nc(-n3ccnc3)nc(N3CCOCC3)n2)CC1 ZINC000036705747 569134584 /nfs/dbraw/zinc/13/45/84/569134584.db2.gz VQVVRUUDTRRFMJ-VOTSOKGWSA-N 0 0 446.515 1.256 50 0 IDAARN Cc1cc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc(=O)n1C ZINC000238813890 569136447 /nfs/dbraw/zinc/13/64/47/569136447.db2.gz AZDHSJWBERNRIY-UHFFFAOYSA-N 0 0 433.530 1.628 50 0 IDAARN CCOC(=O)C1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2N(CC)CC)CC1 ZINC000170133598 569137336 /nfs/dbraw/zinc/13/73/36/569137336.db2.gz WGIPTAHBNUFIEJ-UHFFFAOYSA-N 0 0 440.566 1.394 50 0 IDAARN Cc1c(C(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)cnn1-c1ccccc1 ZINC000238866466 569137744 /nfs/dbraw/zinc/13/77/44/569137744.db2.gz LWQQHLBVQUWUAV-UHFFFAOYSA-N 0 0 428.518 1.451 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(Cn3c4ccccc4oc3=S)CC2)C[C@@H](C)O1 ZINC000036823750 569138316 /nfs/dbraw/zinc/13/83/16/569138316.db2.gz UDAQHNKEPMDNOH-HUUCEWRRSA-N 0 0 426.564 1.893 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)C(=O)N1CCC[C@@H]1C(N)=O ZINC000239306270 569138827 /nfs/dbraw/zinc/13/88/27/569138827.db2.gz GQMGPKYVBVSMLI-BIVLZKPYSA-N 0 0 440.585 1.933 50 0 IDAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)no1 ZINC000065552129 569139623 /nfs/dbraw/zinc/13/96/23/569139623.db2.gz UWMSVUJSKBSGQR-ZDUSSCGKSA-N 0 0 429.502 1.812 50 0 IDAARN Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)no1 ZINC000065552131 569139641 /nfs/dbraw/zinc/13/96/41/569139641.db2.gz UWMSVUJSKBSGQR-CYBMUJFWSA-N 0 0 429.502 1.812 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N=c3cc[nH]n3[C@H](C)C3CC3)c2)CC1 ZINC000588078951 569140436 /nfs/dbraw/zinc/14/04/36/569140436.db2.gz AKTSTBCYFFXNFM-OAHLLOKOSA-N 0 0 445.545 1.381 50 0 IDAARN COc1c2c(cc3c1[C@@H](CNC(=O)c1ccc4c(c1)NC(=O)CO4)N(C)CC3)OCO2 ZINC000526052459 569140593 /nfs/dbraw/zinc/14/05/93/569140593.db2.gz GXMBTAUXJFFSEL-OAHLLOKOSA-N 0 0 425.441 1.714 50 0 IDAARN COc1cccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1 ZINC000240122385 569140671 /nfs/dbraw/zinc/14/06/71/569140671.db2.gz VYAKQQWQVCJPNP-UHFFFAOYSA-N 0 0 442.563 1.131 50 0 IDAARN O=S(=O)(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cccc(OC(F)(F)F)c1 ZINC000170591835 569140847 /nfs/dbraw/zinc/14/08/47/569140847.db2.gz CNNARPRLDNEHHS-SMDDNHRTSA-N 0 0 429.438 1.600 50 0 IDAARN CCOc1ccc(-c2cn(C3CN(C(=O)CNC(=O)COc4ccccc4)C3)nn2)cc1 ZINC000170593245 569141182 /nfs/dbraw/zinc/14/11/82/569141182.db2.gz YXRZSZLPZZUJBR-UHFFFAOYSA-N 0 0 435.484 1.922 50 0 IDAARN COC(=O)C[C@]1(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CCOC1 ZINC000170596763 569141788 /nfs/dbraw/zinc/14/17/88/569141788.db2.gz KVSJUDUXXFDPIX-VGOFRKELSA-N 0 0 431.489 1.801 50 0 IDAARN Cc1cccc(CN2CCN(C(=O)CN3CCC(c4nc(N(C)C)no4)CC3)CC2)c1 ZINC000170601541 569142927 /nfs/dbraw/zinc/14/29/27/569142927.db2.gz XCLKRXQEIUCAKC-UHFFFAOYSA-N 0 0 426.565 1.968 50 0 IDAARN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(Cc3cc(=O)n4nccc4[nH]3)C2)C(=O)C1 ZINC000170600741 569142990 /nfs/dbraw/zinc/14/29/90/569142990.db2.gz YPSZNCDWSXXUJR-MRXNPFEDSA-N 0 0 430.509 1.066 50 0 IDAARN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000170601397 569143159 /nfs/dbraw/zinc/14/31/59/569143159.db2.gz BRSBZBBAOYKOBR-BLLLJJGKSA-N 0 0 443.504 1.795 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCc3cc(C)c(O)c(C)c3)CC2)cn1C ZINC000170605667 569143698 /nfs/dbraw/zinc/14/36/98/569143698.db2.gz ANMDGUHMNJFHBK-UHFFFAOYSA-N 0 0 434.562 1.811 50 0 IDAARN O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCN(c2ncccn2)CC1 ZINC000170607821 569144385 /nfs/dbraw/zinc/14/43/85/569144385.db2.gz IEDKJUKWGDVKJD-RTBURBONSA-N 0 0 432.484 1.717 50 0 IDAARN CC(C)Oc1cc(Br)ccc1C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC000170607758 569144408 /nfs/dbraw/zinc/14/44/08/569144408.db2.gz JHVOMRVXSLDZOA-UHFFFAOYSA-N 0 0 436.310 1.864 50 0 IDAARN CCCN(C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@@H](CC)C(=O)OCC ZINC000170611568 569145266 /nfs/dbraw/zinc/14/52/66/569145266.db2.gz KUIZSEYJCCXMDD-INIZCTEOSA-N 0 0 444.550 1.953 50 0 IDAARN CCS(=O)(=O)C1CCN(C(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)CC1 ZINC000170614950 569146474 /nfs/dbraw/zinc/14/64/74/569146474.db2.gz PZSPTNBWOFLMJV-LJQANCHMSA-N 0 0 440.562 1.884 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCN(CCc2ccccn2)CC1 ZINC000170625210 569148368 /nfs/dbraw/zinc/14/83/68/569148368.db2.gz NNDYSYXMCQSYAF-FQEVSTJZSA-N 0 0 439.491 1.418 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)CC2=O)cc1 ZINC000071001020 569149209 /nfs/dbraw/zinc/14/92/09/569149209.db2.gz PSQQFXCCUKKWQR-HNNXBMFYSA-N 0 0 445.483 1.855 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4nnc(C(=O)NC5CC5)n4)cc3)CC2=O)cc1 ZINC000071001018 569149243 /nfs/dbraw/zinc/14/92/43/569149243.db2.gz PSQQFXCCUKKWQR-OAHLLOKOSA-N 0 0 445.483 1.855 50 0 IDAARN O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009883538 569150126 /nfs/dbraw/zinc/15/01/26/569150126.db2.gz XJLUMSPGLOQTGM-UHFFFAOYSA-N 0 0 437.905 1.729 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000071285216 569150730 /nfs/dbraw/zinc/15/07/30/569150730.db2.gz CFSWVBNADQWMFS-UHFFFAOYSA-N 0 0 437.928 1.472 50 0 IDAARN Cc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2cnn(C3CCCC3)c2n1 ZINC000071284777 569150792 /nfs/dbraw/zinc/15/07/92/569150792.db2.gz WUXCUOYHKKIXEQ-QGZVFWFLSA-N 0 0 431.562 1.800 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000071285667 569150906 /nfs/dbraw/zinc/15/09/06/569150906.db2.gz FWYTVXXUHSXUOL-UHFFFAOYSA-N 0 0 437.928 1.472 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000009954300 569151013 /nfs/dbraw/zinc/15/10/13/569151013.db2.gz DBQBEQKPXOMDCA-XMMPIXPASA-N 0 0 447.495 1.825 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)Cn1nc(N3CCSCC3)ccc1=O)CC2 ZINC000071288712 569151044 /nfs/dbraw/zinc/15/10/44/569151044.db2.gz YSAXGFCAAVBSNL-UHFFFAOYSA-N 0 0 430.530 1.399 50 0 IDAARN COCCCN(C(=O)c1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009955427 569151137 /nfs/dbraw/zinc/15/11/37/569151137.db2.gz CETSFMSGHWWGTC-UHFFFAOYSA-N 0 0 426.448 1.990 50 0 IDAARN O=C(NCc1ccccn1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219936 569152791 /nfs/dbraw/zinc/15/27/91/569152791.db2.gz YTCOUWWNQZMACA-UHFFFAOYSA-N 0 0 445.888 1.604 50 0 IDAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)Nc1ccc2c(c1)OCCO2 ZINC000010218647 569153491 /nfs/dbraw/zinc/15/34/91/569153491.db2.gz UOPFZBPPWQBUDG-NSHDSACASA-N 0 0 425.488 1.549 50 0 IDAARN COc1ccc(OC[C@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000010385388 569154326 /nfs/dbraw/zinc/15/43/26/569154326.db2.gz GLZZBDACDKESOH-CQSZACIVSA-N 0 0 431.493 1.330 50 0 IDAARN CCc1cccc(OC[C@@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385292 569154556 /nfs/dbraw/zinc/15/45/56/569154556.db2.gz OLZRMEAOZXJNPC-HNNXBMFYSA-N 0 0 439.472 1.631 50 0 IDAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 ZINC000013688104 569156512 /nfs/dbraw/zinc/15/65/12/569156512.db2.gz CEVOSYZYPKOCBS-LBXVMSDZSA-N 0 0 442.603 1.773 50 0 IDAARN CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cn2)cc1 ZINC000013809428 569157196 /nfs/dbraw/zinc/15/71/96/569157196.db2.gz GGAXPWQXLAYNER-UHFFFAOYSA-N 0 0 428.470 1.595 50 0 IDAARN CCOC(=O)c1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc(C(=O)OCC)c1 ZINC000014109862 569157815 /nfs/dbraw/zinc/15/78/15/569157815.db2.gz UAVRMEXDJUOQMZ-UHFFFAOYSA-N 0 0 426.491 1.650 50 0 IDAARN Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000014274936 569158540 /nfs/dbraw/zinc/15/85/40/569158540.db2.gz PBFDZKCTWOGPEG-GOSISDBHSA-N 0 0 446.529 1.754 50 0 IDAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc1OCC ZINC000016772441 569161731 /nfs/dbraw/zinc/16/17/31/569161731.db2.gz JNISNAOWFBQJAX-UHFFFAOYSA-N 0 0 449.382 1.145 50 0 IDAARN COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(CCOC)CC2)c1 ZINC000016839166 569163002 /nfs/dbraw/zinc/16/30/02/569163002.db2.gz QBCGRPKZJGXIDX-UHFFFAOYSA-N 0 0 439.516 1.189 50 0 IDAARN O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CC(=O)Nc2ccc(Br)cc21 ZINC000089800320 569165001 /nfs/dbraw/zinc/16/50/01/569165001.db2.gz VYTGONFZHGYPNN-UHFFFAOYSA-N 0 0 435.278 1.989 50 0 IDAARN O=C(CCc1csc(NC(=O)c2ccc(=O)[nH]c2)n1)N1CCN(c2ncccn2)CC1 ZINC000016851274 569165030 /nfs/dbraw/zinc/16/50/30/569165030.db2.gz OKRGQDUWASCBST-UHFFFAOYSA-N 0 0 439.501 1.155 50 0 IDAARN O=CNc1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)cc1 ZINC000089814128 569165085 /nfs/dbraw/zinc/16/50/85/569165085.db2.gz MGFUXVKEFZKHPV-UHFFFAOYSA-N 0 0 434.246 1.929 50 0 IDAARN COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CSc2nncn2C)cc1=O ZINC000016890566 569165447 /nfs/dbraw/zinc/16/54/47/569165447.db2.gz XKZVDQBWEMXVMP-UHFFFAOYSA-N 0 0 442.501 1.875 50 0 IDAARN COc1cccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(NC(C)=O)cc2)c3=O)c1 ZINC000016890483 569165461 /nfs/dbraw/zinc/16/54/61/569165461.db2.gz BHQSYTWNURMGMM-UHFFFAOYSA-N 0 0 433.428 1.583 50 0 IDAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000016916760 569166217 /nfs/dbraw/zinc/16/62/17/569166217.db2.gz PTGOTQXZDNSYLD-UHFFFAOYSA-N 0 0 448.523 1.890 50 0 IDAARN Cn1cc([C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(Br)cc3)C2=O)cn1 ZINC000089917047 569167439 /nfs/dbraw/zinc/16/74/39/569167439.db2.gz KMAPLEYAZCAKCP-MRXNPFEDSA-N 0 0 441.307 1.424 50 0 IDAARN CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(Cc4nc5ccccc5[nH]4)CC3)ccc21 ZINC000089954554 569168837 /nfs/dbraw/zinc/16/88/37/569168837.db2.gz ZISGLMWAFCCOGA-UHFFFAOYSA-N 0 0 439.541 1.978 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCOCC3)c12 ZINC000016992992 569169886 /nfs/dbraw/zinc/16/98/86/569169886.db2.gz QYFRMWBRDXHKRO-AWEZNQCLSA-N 0 0 430.486 1.832 50 0 IDAARN CC(C)CNC(=O)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1 ZINC000017113211 569174127 /nfs/dbraw/zinc/17/41/27/569174127.db2.gz DRJMJGSMWLEUQX-OAQYLSRUSA-N 0 0 427.524 1.972 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NN1C(=O)NC2(CCCCC2)C1=O ZINC000017115386 569174139 /nfs/dbraw/zinc/17/41/39/569174139.db2.gz NFDBKIYZJFRCNB-UHFFFAOYSA-N 0 0 448.545 1.520 50 0 IDAARN O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000017178493 569175539 /nfs/dbraw/zinc/17/55/39/569175539.db2.gz ADPTWICIYZAMJZ-NRFANRHFSA-N 0 0 425.485 1.611 50 0 IDAARN O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178519 569175639 /nfs/dbraw/zinc/17/56/39/569175639.db2.gz KNRRABRWGGRAQL-OAQYLSRUSA-N 0 0 425.485 1.976 50 0 IDAARN O=C([O-])CC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000002130454 569184905 /nfs/dbraw/zinc/18/49/05/569184905.db2.gz OECOESKZBWEZIY-YQYRJILISA-N 0 0 425.485 1.995 50 0 biogenic IDAARN O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21 ZINC000002130455 569184933 /nfs/dbraw/zinc/18/49/33/569184933.db2.gz OECOESKZBWEZIY-FAODYONGSA-N 0 0 425.485 1.995 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000002132004 569185093 /nfs/dbraw/zinc/18/50/93/569185093.db2.gz CNUXTOQYWCNBPK-VGHKVXAASA-N 0 0 425.485 1.913 50 0 biogenic IDAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)c1 ZINC000252487102 569186713 /nfs/dbraw/zinc/18/67/13/569186713.db2.gz HSQAZHCSEDVWHV-UHFFFAOYSA-N 0 0 438.481 1.606 50 0 IDAARN COc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)cc1 ZINC000002145022 569186717 /nfs/dbraw/zinc/18/67/17/569186717.db2.gz LZEPRXPUFTYHSP-MRXNPFEDSA-N 0 0 426.381 1.517 50 0 biogenic IDAARN COc1cccc(-n2c(=O)[nH]c([O-])c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)c1 ZINC000002145162 569186790 /nfs/dbraw/zinc/18/67/90/569186790.db2.gz XZQUSEMXJRUMHM-INIZCTEOSA-N 0 0 426.381 1.517 50 0 biogenic IDAARN CCc1cccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385309 569188339 /nfs/dbraw/zinc/18/83/39/569188339.db2.gz ZLWYKTKYQPZRHK-RDJZCZTQSA-N 0 0 441.532 1.662 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000252510485 569188612 /nfs/dbraw/zinc/18/86/12/569188612.db2.gz ZLVUVUBEQBKTLG-UHFFFAOYSA-N 0 0 443.533 1.154 50 0 IDAARN Cn1cnc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n1 ZINC000524734839 569188768 /nfs/dbraw/zinc/18/87/68/569188768.db2.gz QYCUGBRDCFMYDH-OAQYLSRUSA-N 0 0 430.468 1.679 50 0 biogenic IDAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)C1 ZINC000252512543 569188850 /nfs/dbraw/zinc/18/88/50/569188850.db2.gz SAKXMESJAUPEBZ-AQNXPRMDSA-N 0 0 428.581 1.342 50 0 IDAARN CSCC[C@@H](CO)NC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252518198 569189345 /nfs/dbraw/zinc/18/93/45/569189345.db2.gz AHKPTSWMZYYESS-MAUKXSAKSA-N 0 0 432.546 1.846 50 0 IDAARN O=C(C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000252536204 569189928 /nfs/dbraw/zinc/18/99/28/569189928.db2.gz HVYRLYZWJHFKQE-WIYYLYMNSA-N 0 0 434.496 1.945 50 0 IDAARN Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000252550542 569190952 /nfs/dbraw/zinc/19/09/52/569190952.db2.gz SRLWHHIWGUQKMB-UHFFFAOYSA-N 0 0 435.481 1.072 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000252571345 569191198 /nfs/dbraw/zinc/19/11/98/569191198.db2.gz XWHYYXJRZNQHKP-PBHICJAKSA-N 0 0 436.472 1.673 50 0 IDAARN O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H](CO)Cc1ccccc1 ZINC000252572191 569191207 /nfs/dbraw/zinc/19/12/07/569191207.db2.gz YXTSJNODMUGPAQ-DLBZAZTESA-N 0 0 425.441 1.150 50 0 IDAARN C[C@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)C(=O)N1CCOCC1 ZINC000037576416 569201463 /nfs/dbraw/zinc/20/14/63/569201463.db2.gz UORZEBJFAJQYOT-HNNXBMFYSA-N 0 0 443.479 1.045 50 0 IDAARN COCCNC(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000037578609 569201573 /nfs/dbraw/zinc/20/15/73/569201573.db2.gz XTIUIZWDLVYSJD-UHFFFAOYSA-N 0 0 427.505 1.072 50 0 IDAARN CC(C)CNC(=O)CN(CC(=O)NCC(C)C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000007779504 569202456 /nfs/dbraw/zinc/20/24/56/569202456.db2.gz GCERYUREQGXQRJ-INIZCTEOSA-N 0 0 426.583 1.241 50 0 IDAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195531405 569204183 /nfs/dbraw/zinc/20/41/83/569204183.db2.gz WLZOMBNZFSRRDK-KHYOSLBOSA-N 0 0 426.535 1.787 50 0 IDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(C)nc3C)c(=O)n2[C@H]1c1ccc(O)cc1 ZINC000252669016 569209821 /nfs/dbraw/zinc/20/98/21/569209821.db2.gz GEQMWMFTIUUTBH-IBGZPJMESA-N 0 0 438.509 1.546 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252674570 569210148 /nfs/dbraw/zinc/21/01/48/569210148.db2.gz SIBWRXCIEALYPT-IBGZPJMESA-N 0 0 438.509 1.459 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OC)c3)c(=O)n2C1 ZINC000252675705 569210250 /nfs/dbraw/zinc/21/02/50/569210250.db2.gz UUJZKFFQBZJFFF-UHFFFAOYSA-N 0 0 439.287 1.296 50 0 IDAARN CCOC(=O)C1C(=O)[C@H](C(=O)OCC)[C@@H]2C(C(=O)OCC)C(=O)[C@@H](C(=O)OCC)[C@H]12 ZINC000257358870 569263832 /nfs/dbraw/zinc/26/38/32/569263832.db2.gz WVVBBPFQBUNSER-DEKYYXRVSA-N 0 0 426.418 1.355 50 0 IDAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000253385989 569264103 /nfs/dbraw/zinc/26/41/03/569264103.db2.gz VDTPQSMPHAKDCF-DKTCFHKXSA-N 0 0 429.448 1.988 50 0 IDAARN COc1ccc(OC)c(N2C[C@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CC2=O)c1 ZINC000253413646 569266034 /nfs/dbraw/zinc/26/60/34/569266034.db2.gz VHYCPYAJZVMXGV-IXDOHACOSA-N 0 0 437.496 1.864 50 0 biogenic IDAARN CSCC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nnc2ccccn21 ZINC000253413909 569266150 /nfs/dbraw/zinc/26/61/50/569266150.db2.gz VZARMXCNNLBOQQ-HOTGVXAUSA-N 0 0 438.513 1.781 50 0 biogenic IDAARN CCOC(=O)C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)C2NN1 ZINC000018169803 569285961 /nfs/dbraw/zinc/28/59/61/569285961.db2.gz PEGQUHIGERVKBN-ZJUUUORDSA-N 0 0 433.774 1.042 50 0 IDAARN O=C(Nc1ccc2c(c1)OCCO2)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H](C1)O2 ZINC000065225157 569293845 /nfs/dbraw/zinc/29/38/45/569293845.db2.gz JHVBUVSBBRQTGR-CALCHBBNSA-N 0 0 445.497 1.764 50 0 IDAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN(C)CC1OCCO1 ZINC000002420257 569302030 /nfs/dbraw/zinc/30/20/30/569302030.db2.gz PSBMEZBWXIDZKQ-UHFFFAOYSA-N 0 0 426.267 1.960 50 0 IDAARN Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012982518 569305786 /nfs/dbraw/zinc/30/57/86/569305786.db2.gz JGLGIEKWNDRTJI-CQSZACIVSA-N 0 0 437.474 1.496 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000013058571 569308542 /nfs/dbraw/zinc/30/85/42/569308542.db2.gz DUKVTSVJDFHMLJ-UHFFFAOYSA-N 0 0 431.514 1.843 50 0 IDAARN CN(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013075376 569309206 /nfs/dbraw/zinc/30/92/06/569309206.db2.gz YKHDLRZIWSJNCZ-UHFFFAOYSA-N 0 0 445.541 1.423 50 0 IDAARN CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC000013097488 569309784 /nfs/dbraw/zinc/30/97/84/569309784.db2.gz AHYDCIOTSOEIQT-UHFFFAOYSA-N 0 0 447.492 1.467 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000013098998 569310015 /nfs/dbraw/zinc/31/00/15/569310015.db2.gz FIYCPBZEOOWFGT-UHFFFAOYSA-N 0 0 431.514 1.665 50 0 IDAARN O=C(Cn1c(=O)cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccco1 ZINC000013363298 569314119 /nfs/dbraw/zinc/31/41/19/569314119.db2.gz BVYCGVGJXOHBRR-UHFFFAOYSA-N 0 0 430.486 1.481 50 0 IDAARN COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc3c(c2)OCO3)cc1 ZINC000013371675 569315040 /nfs/dbraw/zinc/31/50/40/569315040.db2.gz BZXFGSOFVLOVPX-LPHOPBHVSA-N 0 0 439.511 1.153 50 0 IDAARN CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(OC)cc2)cc1 ZINC000013372045 569315044 /nfs/dbraw/zinc/31/50/44/569315044.db2.gz XCLZLLSWJIXTJI-PMACEKPBSA-N 0 0 439.555 1.823 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2C)cc1 ZINC000013375879 569315195 /nfs/dbraw/zinc/31/51/95/569315195.db2.gz RBRPJPGZPQYMCG-PMACEKPBSA-N 0 0 436.555 1.683 50 0 IDAARN COC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 ZINC000078878578 569319908 /nfs/dbraw/zinc/31/99/08/569319908.db2.gz VJHCYGXPUVCNNL-NSHDSACASA-N 0 0 446.323 1.460 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3[S@](C)=O)c2)CC1 ZINC000078899470 569320104 /nfs/dbraw/zinc/32/01/04/569320104.db2.gz WEMFIQKTNNGLQG-GDLZYMKVSA-N 0 0 449.554 1.529 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)c1 ZINC000078932058 569320199 /nfs/dbraw/zinc/32/01/99/569320199.db2.gz QMFJLASJRAWCKO-UHFFFAOYSA-N 0 0 441.494 1.806 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[S@](=O)C[C@@H]1C ZINC000078969407 569321045 /nfs/dbraw/zinc/32/10/45/569321045.db2.gz QHIUIWQFQJNHFO-RKOGDMNLSA-N 0 0 427.592 1.561 50 0 IDAARN Cc1c(C(=O)OCC(COC(=O)c2cnn(C)c2C)NC(=O)OC(C)(C)C)cnn1C ZINC000078989158 569321518 /nfs/dbraw/zinc/32/15/18/569321518.db2.gz VHVJIKCTDMZACK-UHFFFAOYSA-N 0 0 435.481 1.678 50 0 IDAARN CNC(=O)Cc1noc(CN2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)n1 ZINC000079020139 569322356 /nfs/dbraw/zinc/32/23/56/569322356.db2.gz NKUQDXRNISFDGV-UHFFFAOYSA-N 0 0 435.550 1.098 50 0 IDAARN CCC(=O)N1CSC[C@H]1C(=O)N[C@](C)(CC)CNC(=O)[C@H]1CSCN1C(=O)CC ZINC000079056141 569323674 /nfs/dbraw/zinc/32/36/74/569323674.db2.gz OTQLZSFWVWFVHN-BIENJYKASA-N 0 0 444.623 1.011 50 0 IDAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4nc(N)ns4)CC3)c2c1C ZINC000079061726 569323865 /nfs/dbraw/zinc/32/38/65/569323865.db2.gz ZPZJRLJESBSROA-UHFFFAOYSA-N 0 0 446.606 1.901 50 0 IDAARN COCCn1c(SCC(N)=O)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000019630235 569324259 /nfs/dbraw/zinc/32/42/59/569324259.db2.gz NAAISXZSPYGQBG-CQSZACIVSA-N 0 0 439.563 1.070 50 0 IDAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN(CC(N)=O)C(C)(C)C ZINC000079075125 569324737 /nfs/dbraw/zinc/32/47/37/569324737.db2.gz SZQOOOFDLGAUOG-UHFFFAOYSA-N 0 0 436.553 1.845 50 0 IDAARN CCOCCS(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000079100874 569325517 /nfs/dbraw/zinc/32/55/17/569325517.db2.gz LKNLNMUAFFWGME-UHFFFAOYSA-N 0 0 428.385 1.023 50 0 IDAARN C[C@@H](C(=O)N1CCCCC1)N1CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000079106130 569325917 /nfs/dbraw/zinc/32/59/17/569325917.db2.gz PVDMATAXIBNMCA-ZDUSSCGKSA-N 0 0 436.358 1.649 50 0 IDAARN CCN(Cc1c(F)cccc1F)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000079112001 569326172 /nfs/dbraw/zinc/32/61/72/569326172.db2.gz KHHAPMASRJKJTF-GFCCVEGCSA-N 0 0 425.457 1.779 50 0 IDAARN CC(C)(C)[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000079111448 569326181 /nfs/dbraw/zinc/32/61/81/569326181.db2.gz JWZHGRKPLUOLLW-SFHVURJKSA-N 0 0 426.535 1.382 50 0 IDAARN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000079112009 569326230 /nfs/dbraw/zinc/32/62/30/569326230.db2.gz WICYDTPTWZUUKX-GFCCVEGCSA-N 0 0 438.575 1.565 50 0 IDAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)c12)OC(C)(C)CC3 ZINC000079190582 569327914 /nfs/dbraw/zinc/32/79/14/569327914.db2.gz VMSZULJGGDPUEA-CYBMUJFWSA-N 0 0 435.498 1.887 50 0 biogenic IDAARN COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)cc1OC ZINC000019796926 569329565 /nfs/dbraw/zinc/32/95/65/569329565.db2.gz ICUKWWMPQFHCRT-PXNSSMCTSA-N 0 0 439.555 1.475 50 0 IDAARN COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2c[nH]c3ccccc23)cc1 ZINC000019797129 569329646 /nfs/dbraw/zinc/32/96/46/569329646.db2.gz NHWURLWKNOOTLU-SFTDATJTSA-N 0 0 448.566 1.948 50 0 IDAARN Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000079479369 569330900 /nfs/dbraw/zinc/33/09/00/569330900.db2.gz NLFVYNLLXGPCGK-UHFFFAOYSA-N 0 0 432.952 1.899 50 0 IDAARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc12 ZINC000079481921 569330987 /nfs/dbraw/zinc/33/09/87/569330987.db2.gz ULDCYMDVSBPHPK-KRWDZBQOSA-N 0 0 448.541 1.428 50 0 IDAARN CCOC(=O)N1CCN(C[C@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019938624 569332138 /nfs/dbraw/zinc/33/21/38/569332138.db2.gz QQHLEUBUHJJBHE-INIZCTEOSA-N 0 0 431.327 1.980 50 0 IDAARN O=C(CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1cccnc1 ZINC000020103567 569334085 /nfs/dbraw/zinc/33/40/85/569334085.db2.gz WVKSSQHAAUBWAM-UHFFFAOYSA-N 0 0 425.514 1.555 50 0 IDAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ncncc5C)CC4)C3)ncn2)n1 ZINC000390826813 569353814 /nfs/dbraw/zinc/35/38/14/569353814.db2.gz PYUHGPNQQOCOGQ-UHFFFAOYSA-N 0 0 433.520 1.163 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390829715 569354120 /nfs/dbraw/zinc/35/41/20/569354120.db2.gz GBBWRJOOTCXFBX-UHFFFAOYSA-N 0 0 440.528 1.727 50 0 IDAARN Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(n4nnc5ccsc5c4=O)CC3)cc21 ZINC000390831027 569354279 /nfs/dbraw/zinc/35/42/79/569354279.db2.gz PDXMABUMTYRTAV-UHFFFAOYSA-N 0 0 447.498 1.324 50 0 IDAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCC(OC)OC)c(C)o2)cc1OC ZINC000020241710 569358073 /nfs/dbraw/zinc/35/80/73/569358073.db2.gz UQTHEJSZGKEXLS-LJAQVGFWSA-N 0 0 426.491 1.651 50 0 IDAARN Cc1nc2c(c(C)c1CCC(=O)N1CCN(Cc3ccccc3)CC1)c(=O)n(C)c(=O)n2C ZINC000020283938 569358941 /nfs/dbraw/zinc/35/89/41/569358941.db2.gz XRDVLAKGVOFQAY-UHFFFAOYSA-N 0 0 449.555 1.526 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4)C3)cc2oc1=O ZINC000020327360 569360468 /nfs/dbraw/zinc/36/04/68/569360468.db2.gz HKMLONMTRHWNQG-INIZCTEOSA-N 0 0 429.498 1.849 50 0 IDAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCCN1CCOCC1)C3 ZINC000095346303 569361454 /nfs/dbraw/zinc/36/14/54/569361454.db2.gz NVIRYGIAECEDMT-UHFFFAOYSA-N 0 0 430.501 2.000 50 0 IDAARN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)C1 ZINC000095349203 569361674 /nfs/dbraw/zinc/36/16/74/569361674.db2.gz SAKXMESJAUPEBZ-HSALFYBXSA-N 0 0 428.581 1.342 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)C1 ZINC000095349205 569361686 /nfs/dbraw/zinc/36/16/86/569361686.db2.gz SAKXMESJAUPEBZ-VAMGGRTRSA-N 0 0 428.581 1.342 50 0 IDAARN O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000095350639 569362017 /nfs/dbraw/zinc/36/20/17/569362017.db2.gz AVLRBZAKEAXQOZ-RUZDIDTESA-N 0 0 448.523 1.970 50 0 IDAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000095351893 569362120 /nfs/dbraw/zinc/36/21/20/569362120.db2.gz OHKANMLNAYSUMQ-BMGDILEWSA-N 0 0 431.514 1.749 50 0 IDAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2N2CCN(c3ccc(C)cc3)[C@@H](C)C2)CC1 ZINC000020379137 569362558 /nfs/dbraw/zinc/36/25/58/569362558.db2.gz PYFQBSYPMCGMAQ-KRWDZBQOSA-N 0 0 426.517 1.585 50 0 IDAARN Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)c1 ZINC000020389107 569363319 /nfs/dbraw/zinc/36/33/19/569363319.db2.gz QXLMZUFFBKKQKY-LJQANCHMSA-N 0 0 437.562 1.407 50 0 IDAARN CCc1nsc(N2CCN(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)CC2)n1 ZINC000095428365 569366172 /nfs/dbraw/zinc/36/61/72/569366172.db2.gz ZWBRBQIQUFLRTB-UHFFFAOYSA-N 0 0 431.562 1.825 50 0 IDAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)C1CCN(c2cncc3nnnn32)CC1 ZINC000095436653 569366527 /nfs/dbraw/zinc/36/65/27/569366527.db2.gz ZCOMTAWFSMJQAZ-UHFFFAOYSA-N 0 0 445.531 1.979 50 0 IDAARN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)no1 ZINC000095436361 569366584 /nfs/dbraw/zinc/36/65/84/569366584.db2.gz WJNBBVVJZNFXBU-IAGOWNOFSA-N 0 0 433.553 1.866 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2COc3ccccc3C2=O)CC1 ZINC000095444701 569367096 /nfs/dbraw/zinc/36/70/96/569367096.db2.gz BKFPZZSPXQRYIA-MRXNPFEDSA-N 0 0 433.486 1.452 50 0 IDAARN Cc1ccc(-n2nccc2NC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)nn1 ZINC000095461272 569369765 /nfs/dbraw/zinc/36/97/65/569369765.db2.gz BKJBHZZSARWJJK-OAHLLOKOSA-N 0 0 441.517 1.160 50 0 IDAARN COC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)c1cccnc1 ZINC000095465351 569370653 /nfs/dbraw/zinc/37/06/53/569370653.db2.gz MUVXZKLWJNOJTN-WBVHZDCISA-N 0 0 437.543 1.883 50 0 IDAARN O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H](c1ccccc1)n1cnnn1 ZINC000095473299 569372379 /nfs/dbraw/zinc/37/23/79/569372379.db2.gz GHQLHODCTKFCCE-HXUWFJFHSA-N 0 0 440.529 1.406 50 0 IDAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C ZINC000095476645 569373064 /nfs/dbraw/zinc/37/30/64/569373064.db2.gz IIYNSOMSEKDFDZ-GOSISDBHSA-N 0 0 441.484 1.933 50 0 IDAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000095477441 569373217 /nfs/dbraw/zinc/37/32/17/569373217.db2.gz JPIYAAAABWQLCR-UHFFFAOYSA-N 0 0 438.459 1.917 50 0 IDAARN CC(=O)NC1=NN(C(C)=O)[C@H](c2cc(Br)ccc2OS(C)(=O)=O)S1 ZINC000020896182 569375084 /nfs/dbraw/zinc/37/50/84/569375084.db2.gz ASUKAPYTDTZMGE-LBPRGKRZSA-N 0 0 436.309 1.789 50 0 IDAARN COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)O1 ZINC000095965895 569377207 /nfs/dbraw/zinc/37/72/07/569377207.db2.gz OSERSORAUJESFA-NXHRZFHOSA-N 0 0 426.535 1.477 50 0 IDAARN O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000095991643 569378183 /nfs/dbraw/zinc/37/81/83/569378183.db2.gz LBHFFRPBLHQUEC-HZPDHXFCSA-N 0 0 426.922 1.893 50 0 IDAARN COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)[C@H](C(=O)OC)C1 ZINC000096002236 569379036 /nfs/dbraw/zinc/37/90/36/569379036.db2.gz QDJPMBVMCUILTI-CPUCHLNUSA-N 0 0 434.514 1.715 50 0 IDAARN Cc1ccnc(Nc2cc(NCCNC(=O)C3CCN(S(C)(=O)=O)CC3)nc(C)n2)c1 ZINC000096025000 569380667 /nfs/dbraw/zinc/38/06/67/569380667.db2.gz OUNDCBMRNQEUKZ-UHFFFAOYSA-N 0 0 447.565 1.432 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O ZINC000096096624 569381241 /nfs/dbraw/zinc/38/12/41/569381241.db2.gz OILPWRPQDLEMOO-UHFFFAOYSA-N 0 0 436.497 1.635 50 0 IDAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)c1 ZINC000096096690 569381345 /nfs/dbraw/zinc/38/13/45/569381345.db2.gz LLTUWDMKQJVVIQ-UHFFFAOYSA-N 0 0 436.578 1.396 50 0 IDAARN CO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccsc1 ZINC000096097482 569381441 /nfs/dbraw/zinc/38/14/41/569381441.db2.gz VFWHJWFVCZPNRR-QGZVFWFLSA-N 0 0 437.543 1.903 50 0 IDAARN Cc1nc(-c2ccccc2F)sc1C(=O)NCCn1nc(-n2cncn2)ccc1=O ZINC000096097964 569381444 /nfs/dbraw/zinc/38/14/44/569381444.db2.gz JIKMIEWKKYHEME-UHFFFAOYSA-N 0 0 425.449 1.825 50 0 IDAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000096104213 569382170 /nfs/dbraw/zinc/38/21/70/569382170.db2.gz JKHPJUSTXMJXEW-UHFFFAOYSA-N 0 0 437.572 1.982 50 0 IDAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)cc1OC ZINC000096105247 569382193 /nfs/dbraw/zinc/38/21/93/569382193.db2.gz MOGVXTRQWPTFFJ-QGZVFWFLSA-N 0 0 437.504 1.650 50 0 IDAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)C=C2 ZINC000096113871 569382718 /nfs/dbraw/zinc/38/27/18/569382718.db2.gz SILGKOKKPJMQDM-APWZRJJASA-N 0 0 449.507 1.867 50 0 biogenic IDAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000096114942 569383045 /nfs/dbraw/zinc/38/30/45/569383045.db2.gz ULXZQPPGHCNZRE-IBGZPJMESA-N 0 0 431.452 1.982 50 0 biogenic IDAARN COCCn1cnc2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O ZINC000096115025 569383078 /nfs/dbraw/zinc/38/30/78/569383078.db2.gz GKWCAUPMNLUHLX-IBGZPJMESA-N 0 0 449.467 1.512 50 0 biogenic IDAARN Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000096116789 569383957 /nfs/dbraw/zinc/38/39/57/569383957.db2.gz KMLZVFFPQWVZJF-UHFFFAOYSA-N 0 0 439.921 1.439 50 0 IDAARN O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000096120423 569384918 /nfs/dbraw/zinc/38/49/18/569384918.db2.gz VTEAALQMORBJQC-UHFFFAOYSA-N 0 0 436.502 1.617 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n1 ZINC000096124083 569385320 /nfs/dbraw/zinc/38/53/20/569385320.db2.gz HGILLWYXYCMGGN-ZDUSSCGKSA-N 0 0 442.505 1.475 50 0 IDAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000096221375 569386892 /nfs/dbraw/zinc/38/68/92/569386892.db2.gz XRFIDLUPTTWXQY-KRWDZBQOSA-N 0 0 425.441 1.941 50 0 biogenic IDAARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(OC)cc2OC)o1 ZINC000096231165 569387448 /nfs/dbraw/zinc/38/74/48/569387448.db2.gz YUSIFJWFYMRSAB-QGZVFWFLSA-N 0 0 433.457 1.890 50 0 IDAARN Cc1ccccc1C(=O)N1CCc2nc(N3CCOCC3)nc(N3CCN(C)CC3)c2C1 ZINC000096280969 569389861 /nfs/dbraw/zinc/38/98/61/569389861.db2.gz HEWIXHHLCJJKES-UHFFFAOYSA-N 0 0 436.560 1.572 50 0 IDAARN COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NC[C@H]2CCCO2)C3)cc1 ZINC000096287247 569390303 /nfs/dbraw/zinc/39/03/03/569390303.db2.gz MRRHXAIEXPACKX-APWZRJJASA-N 0 0 442.516 1.561 50 0 IDAARN COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(C(C)(C)C(=O)NC[C@H]2CCCO2)C3)cc1 ZINC000096287249 569390324 /nfs/dbraw/zinc/39/03/24/569390324.db2.gz MRRHXAIEXPACKX-VQIMIIECSA-N 0 0 442.516 1.561 50 0 IDAARN CC(C)n1c2ccc(-c3noc(CNS(=O)(=O)c4ccccc4)n3)cc2[nH]c(=O)c1=O ZINC000096320636 569394016 /nfs/dbraw/zinc/39/40/16/569394016.db2.gz FGHRSVTXHOJFEU-UHFFFAOYSA-N 0 0 441.469 1.799 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)cc1 ZINC000096321692 569394154 /nfs/dbraw/zinc/39/41/54/569394154.db2.gz AECFRQPCAYMUEX-UHFFFAOYSA-N 0 0 436.472 1.859 50 0 IDAARN CCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)nc2cccnc21 ZINC000096321637 569394203 /nfs/dbraw/zinc/39/42/03/569394203.db2.gz AFSHPMZITFNXQW-UHFFFAOYSA-N 0 0 436.472 1.952 50 0 IDAARN CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000096324096 569395739 /nfs/dbraw/zinc/39/57/39/569395739.db2.gz ZSRPQZSXOJYDDL-ZDUSSCGKSA-N 0 0 427.548 1.389 50 0 IDAARN CC(C)(C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000096324097 569395740 /nfs/dbraw/zinc/39/57/40/569395740.db2.gz YGPAFAQLLFZLCY-UHFFFAOYSA-N 0 0 427.548 1.389 50 0 IDAARN O=C(c1cc(-c2ccncc2)n[nH]1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000096324828 569396183 /nfs/dbraw/zinc/39/61/83/569396183.db2.gz CVVXWAANDFIPLR-GOSISDBHSA-N 0 0 444.495 1.809 50 0 IDAARN O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000096344127 569396889 /nfs/dbraw/zinc/39/68/89/569396889.db2.gz LWSGDLWQHQFSBU-QGZVFWFLSA-N 0 0 447.495 1.989 50 0 IDAARN COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 ZINC000096377883 569398170 /nfs/dbraw/zinc/39/81/70/569398170.db2.gz YFVBWHSODSRSDH-UHFFFAOYSA-N 0 0 438.527 1.244 50 0 IDAARN CCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1=O ZINC000096396658 569399131 /nfs/dbraw/zinc/39/91/31/569399131.db2.gz PTWXKCXPPDJAAP-UHFFFAOYSA-N 0 0 443.485 1.265 50 0 IDAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 ZINC000097161366 569403259 /nfs/dbraw/zinc/40/32/59/569403259.db2.gz JXULPADKTGPEPS-HXUWFJFHSA-N 0 0 439.516 1.937 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2cccc(C)c2)cc1 ZINC000055408413 569404717 /nfs/dbraw/zinc/40/47/17/569404717.db2.gz VEKVODPGBMFTJY-PMACEKPBSA-N 0 0 436.555 1.683 50 0 IDAARN CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(c3ccccc3N(C)C2=O)C(C(=O)OC)=C(N)O1 ZINC000002482366 569404993 /nfs/dbraw/zinc/40/49/93/569404993.db2.gz HSSYOWQVFAJYFP-QFIPXVFZSA-N 0 0 444.440 1.045 50 0 IDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000225599933 569405422 /nfs/dbraw/zinc/40/54/22/569405422.db2.gz QCZUUICPADPKER-UHFFFAOYSA-N 0 0 438.984 1.827 50 0 IDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)Cc2cc(F)ccc2F)CC1 ZINC000225600153 569405441 /nfs/dbraw/zinc/40/54/41/569405441.db2.gz YXZJSPDCTYRPAN-UHFFFAOYSA-N 0 0 448.517 1.531 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)cc1 ZINC000225638673 569406340 /nfs/dbraw/zinc/40/63/40/569406340.db2.gz PKDOICCXKZJWEL-MRXNPFEDSA-N 0 0 433.442 1.863 50 0 IDAARN COCCn1c(C(=O)NCCCc2cnc3ncnn3c2)cc2c1nc1ccccn1c2=O ZINC000225643910 569406372 /nfs/dbraw/zinc/40/63/72/569406372.db2.gz BCIWOWCPXOVNCW-UHFFFAOYSA-N 0 0 446.471 1.096 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000225704343 569407260 /nfs/dbraw/zinc/40/72/60/569407260.db2.gz BBPVDTAOIWRENJ-GFCCVEGCSA-N 0 0 431.923 1.305 50 0 IDAARN CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N3C(=O)COC3=O)C2)cc1 ZINC000225700808 569407306 /nfs/dbraw/zinc/40/73/06/569407306.db2.gz DTGXDCHGJQNRGC-OAHLLOKOSA-N 0 0 437.518 1.232 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn43)CC2=O)c1 ZINC000225744473 569407938 /nfs/dbraw/zinc/40/79/38/569407938.db2.gz CLQUCPWWOFYGRA-OAHLLOKOSA-N 0 0 447.455 1.766 50 0 IDAARN O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCCn1cnc2ccsc2c1=O ZINC000225773384 569408454 /nfs/dbraw/zinc/40/84/54/569408454.db2.gz BDFDISFIBFOAKK-LLVKDONJSA-N 0 0 429.527 1.357 50 0 IDAARN CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000028330740 569409784 /nfs/dbraw/zinc/40/97/84/569409784.db2.gz JNVJMXUTFXSCIW-UHFFFAOYSA-N 0 0 428.577 1.871 50 0 IDAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000002631238 569412461 /nfs/dbraw/zinc/41/24/61/569412461.db2.gz SZONKUGYKCAKNJ-UHFFFAOYSA-N 0 0 425.532 1.876 50 0 IDAARN COc1cccc(NC(=O)Cn2ccc(=O)n(CC(=O)Nc3cccc(OC)c3)c2=O)c1 ZINC000002633203 569412697 /nfs/dbraw/zinc/41/26/97/569412697.db2.gz DWAHVOUQICUKSP-UHFFFAOYSA-N 0 0 438.440 1.305 50 0 IDAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(C)cc1 ZINC000230025113 569417764 /nfs/dbraw/zinc/41/77/64/569417764.db2.gz QHNUAZWNAPSBQV-FDKIHUSFSA-N 0 0 437.445 1.030 50 0 IDAARN COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3ccc(-n4cnnn4)cc3)n2)c1 ZINC000056901048 569427404 /nfs/dbraw/zinc/42/74/04/569427404.db2.gz HVBHFOUGQRBENB-UHFFFAOYSA-N 0 0 433.428 1.542 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000056908057 569427723 /nfs/dbraw/zinc/42/77/23/569427723.db2.gz ZRZAKBMGLZSLAQ-OAHLLOKOSA-N 0 0 444.604 1.432 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000056907958 569427731 /nfs/dbraw/zinc/42/77/31/569427731.db2.gz UUEZWHNENQZNQB-OALUTQOASA-N 0 0 446.573 1.976 50 0 IDAARN COC(CNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)OC ZINC000056945509 569428013 /nfs/dbraw/zinc/42/80/13/569428013.db2.gz ZAYJTKUROGIAAD-GOSISDBHSA-N 0 0 448.495 1.133 50 0 IDAARN O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)N1CCOCC1 ZINC000056949784 569428347 /nfs/dbraw/zinc/42/83/47/569428347.db2.gz CRWHSZJSZUSZKZ-UHFFFAOYSA-N 0 0 431.464 1.339 50 0 IDAARN COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCCC3)co2)CC1 ZINC000056949772 569428353 /nfs/dbraw/zinc/42/83/53/569428353.db2.gz XHAODFLJVJVIQY-UHFFFAOYSA-N 0 0 427.501 1.972 50 0 IDAARN CC(C)CCn1c2c(nc1N1CCN(Cc3ccc(F)cc3)CC1)n(C)c(=O)[nH]c2=O ZINC000056952505 569428454 /nfs/dbraw/zinc/42/84/54/569428454.db2.gz OESWPDSBOKSVPV-UHFFFAOYSA-N 0 0 428.512 1.931 50 0 IDAARN CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000029186892 569428605 /nfs/dbraw/zinc/42/86/05/569428605.db2.gz BLRYOQDCICPUDY-UHFFFAOYSA-N 0 0 432.384 1.932 50 0 IDAARN COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000056997593 569428820 /nfs/dbraw/zinc/42/88/20/569428820.db2.gz DRFLHJRKGRLDRU-UHFFFAOYSA-N 0 0 433.530 1.567 50 0 IDAARN COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1 ZINC000056997894 569428985 /nfs/dbraw/zinc/42/89/85/569428985.db2.gz VBIIIHSAPCHFIH-UHFFFAOYSA-N 0 0 440.500 1.359 50 0 IDAARN COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000056997885 569429001 /nfs/dbraw/zinc/42/90/01/569429001.db2.gz RNYIBLSGZRXJFU-UHFFFAOYSA-N 0 0 440.500 1.343 50 0 IDAARN O=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000056997985 569429013 /nfs/dbraw/zinc/42/90/13/569429013.db2.gz ZCQCRSBNVJJLMM-UHFFFAOYSA-N 0 0 428.464 1.109 50 0 IDAARN COc1cccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000056998124 569429020 /nfs/dbraw/zinc/42/90/20/569429020.db2.gz ACUQBVVMKBDJMN-QZTJIDSGSA-N 0 0 430.482 1.438 50 0 IDAARN O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000056997926 569429039 /nfs/dbraw/zinc/42/90/39/569429039.db2.gz USNGXOJHQLYKSR-UHFFFAOYSA-N 0 0 444.919 1.623 50 0 IDAARN O=C(CN1CCN(c2ccccc2O)CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000057315383 569431008 /nfs/dbraw/zinc/43/10/08/569431008.db2.gz FKNUPJDIYLXVHF-QGZVFWFLSA-N 0 0 449.598 1.792 50 0 IDAARN CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000057347444 569431252 /nfs/dbraw/zinc/43/12/52/569431252.db2.gz VPSZPHYXGLPMAH-INIZCTEOSA-N 0 0 438.550 1.572 50 0 IDAARN Cc1nc(COc2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)cs1 ZINC000057373481 569432642 /nfs/dbraw/zinc/43/26/42/569432642.db2.gz SVZHFTNRRPQGPO-GOSISDBHSA-N 0 0 435.571 1.975 50 0 IDAARN COc1ccc(OC)c(CCN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000230077028 569433355 /nfs/dbraw/zinc/43/33/55/569433355.db2.gz SPWCARZIVZOXHP-UXHICEINSA-N 0 0 430.526 1.761 50 0 IDAARN CCOc1ccc(-c2cc(C(=O)N3CCN(CC(=O)NCCCOC)CC3)[nH]n2)cc1 ZINC000057413294 569433796 /nfs/dbraw/zinc/43/37/96/569433796.db2.gz SVKDSAUHTIKJCA-UHFFFAOYSA-N 0 0 429.521 1.386 50 0 IDAARN COC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414675 569433914 /nfs/dbraw/zinc/43/39/14/569433914.db2.gz VZKOWTDOXLOGPA-IBGZPJMESA-N 0 0 438.488 1.088 50 0 IDAARN COc1ccc(CCN2CC(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000230089168 569434312 /nfs/dbraw/zinc/43/43/12/569434312.db2.gz ODVVGDFJWVSFSW-RTBURBONSA-N 0 0 430.526 1.761 50 0 IDAARN CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)c1 ZINC000057428054 569434832 /nfs/dbraw/zinc/43/48/32/569434832.db2.gz SISJSADCLAJRSM-QGZVFWFLSA-N 0 0 443.525 1.967 50 0 IDAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)NCc1ccco1 ZINC000057428272 569434871 /nfs/dbraw/zinc/43/48/71/569434871.db2.gz YXPRLCXOJQHWAW-UHFFFAOYSA-N 0 0 439.449 1.911 50 0 IDAARN COCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000057485968 569436385 /nfs/dbraw/zinc/43/63/85/569436385.db2.gz KPZFJQNJEDFEJJ-UHFFFAOYSA-N 0 0 446.504 1.359 50 0 IDAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2nc(N3CCCC3)sc2c(=O)n(C)c1=O ZINC000057520608 569438757 /nfs/dbraw/zinc/43/87/57/569438757.db2.gz AODJEXJAPZNKRL-OAHLLOKOSA-N 0 0 441.557 1.894 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC[S@](=O)C[C@H]1C ZINC000230157676 569439618 /nfs/dbraw/zinc/43/96/18/569439618.db2.gz QHIUIWQFQJNHFO-JWIGPWBQSA-N 0 0 427.592 1.561 50 0 IDAARN O=C(Cn1nnn(-c2cccs2)c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029975013 569439959 /nfs/dbraw/zinc/43/99/59/569439959.db2.gz WUKMIFWAIRXHKO-UHFFFAOYSA-N 0 0 438.435 1.858 50 0 IDAARN C[C@H]1CN(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@H](C)O1 ZINC000003237811 569442508 /nfs/dbraw/zinc/44/25/08/569442508.db2.gz LIKGULSBNRTINB-KBPBESRZSA-N 0 0 443.477 1.856 50 0 IDAARN Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000003245436 569442734 /nfs/dbraw/zinc/44/27/34/569442734.db2.gz NNRLNESMXJMPIY-UHFFFAOYSA-N 0 0 449.492 1.340 50 0 IDAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003246779 569442760 /nfs/dbraw/zinc/44/27/60/569442760.db2.gz VHRQJBZXUDENRJ-MRXNPFEDSA-N 0 0 444.509 1.842 50 0 IDAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000003256139 569443060 /nfs/dbraw/zinc/44/30/60/569443060.db2.gz DCFPCYQGMIYJLB-NRFANRHFSA-N 0 0 444.875 1.685 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000003259740 569443187 /nfs/dbraw/zinc/44/31/87/569443187.db2.gz JTYHSNUXHGFMNE-UHFFFAOYSA-N 0 0 432.545 1.020 50 0 IDAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccccc1O ZINC000003264610 569443380 /nfs/dbraw/zinc/44/33/80/569443380.db2.gz CGTVNIRPYABOPK-UHFFFAOYSA-N 0 0 449.554 1.859 50 0 IDAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000003266993 569443397 /nfs/dbraw/zinc/44/33/97/569443397.db2.gz BWKGNVQSRDGGTO-UHFFFAOYSA-N 0 0 430.486 1.448 50 0 IDAARN O=C(CNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)NCc1ccncc1 ZINC000058015749 569444983 /nfs/dbraw/zinc/44/49/83/569444983.db2.gz PAGLRHSUIXWGCL-UHFFFAOYSA-N 0 0 428.448 1.924 50 0 IDAARN CCCCCC(=O)NOCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000058026562 569445485 /nfs/dbraw/zinc/44/54/85/569445485.db2.gz KLGDNMCUMQXHPU-UHFFFAOYSA-N 0 0 447.941 1.928 50 0 IDAARN CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000003336378 569446637 /nfs/dbraw/zinc/44/66/37/569446637.db2.gz CHLSRWIQLNPFAM-UHFFFAOYSA-N 0 0 425.532 1.878 50 0 IDAARN Cc1csc(CNC(=O)C[C@H]2COc3ccc(C(=O)N4CCOCC4)cc3N2C)n1 ZINC000670438290 569446812 /nfs/dbraw/zinc/44/68/12/569446812.db2.gz KQNJSDWPNPEVDZ-INIZCTEOSA-N 0 0 430.530 1.828 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)CCCSc2nc3ccccc3s2)c(=O)n(C)c1=O ZINC000003340888 569446898 /nfs/dbraw/zinc/44/68/98/569446898.db2.gz CEBIUNAFEGMVQV-UHFFFAOYSA-N 0 0 448.526 1.574 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 ZINC000003344754 569447054 /nfs/dbraw/zinc/44/70/54/569447054.db2.gz WUZRKDKVPDGNOG-KRWDZBQOSA-N 0 0 431.514 1.470 50 0 IDAARN CSCC[C@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)c2ccccc2C1=O ZINC000003347696 569447201 /nfs/dbraw/zinc/44/72/01/569447201.db2.gz VNCWWZRNSHFDPH-QGZVFWFLSA-N 0 0 438.465 1.710 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000003348089 569447246 /nfs/dbraw/zinc/44/72/46/569447246.db2.gz SQSOGMBZQZZZSD-HXUWFJFHSA-N 0 0 437.485 1.561 50 0 IDAARN Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003351988 569447428 /nfs/dbraw/zinc/44/74/28/569447428.db2.gz FGDPZYUUVKLJHO-UHFFFAOYSA-N 0 0 442.545 1.734 50 0 IDAARN NC(=O)CN1CCC(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000058130765 569448221 /nfs/dbraw/zinc/44/82/21/569448221.db2.gz GEGHUCFGKDZONY-AWEZNQCLSA-N 0 0 426.439 1.120 50 0 IDAARN CC(C)CNC(=O)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000003373102 569448564 /nfs/dbraw/zinc/44/85/64/569448564.db2.gz FQIJGYKWISPBBR-UHFFFAOYSA-N 0 0 427.413 1.714 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc[nH]2)CC1 ZINC000003382125 569448880 /nfs/dbraw/zinc/44/88/80/569448880.db2.gz NFISNNDZEPDYLZ-UHFFFAOYSA-N 0 0 434.470 1.628 50 0 IDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003388971 569449127 /nfs/dbraw/zinc/44/91/27/569449127.db2.gz IKSAABVYXAYUQN-MRXNPFEDSA-N 0 0 448.522 1.047 50 0 IDAARN O=C(COC(=O)CNC1=NS(=O)(=O)c2ccccc21)N[C@@H]1CCCc2ccccc21 ZINC000003425938 569450550 /nfs/dbraw/zinc/45/05/50/569450550.db2.gz ZBMYMJUSFVRKIO-QGZVFWFLSA-N 0 0 427.482 1.462 50 0 IDAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000003428451 569450726 /nfs/dbraw/zinc/45/07/26/569450726.db2.gz FWBIGOXQLDATEK-UHFFFAOYSA-N 0 0 445.453 1.210 50 0 IDAARN O=C(c1n[nH]c2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000003440070 569451162 /nfs/dbraw/zinc/45/11/62/569451162.db2.gz HNBHFGMDAVALQJ-UHFFFAOYSA-N 0 0 428.470 1.481 50 0 IDAARN COCCn1c2ccccc2nc1SCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000003499152 569452762 /nfs/dbraw/zinc/45/27/62/569452762.db2.gz GTMMELSLDVZSDM-UHFFFAOYSA-N 0 0 445.545 1.756 50 0 IDAARN Cn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(F)cc1 ZINC000003519443 569453126 /nfs/dbraw/zinc/45/31/26/569453126.db2.gz AOICJVFDWRDKRT-UHFFFAOYSA-N 0 0 449.533 1.720 50 0 IDAARN CCCCn1c(N)c(N(CC(C)C)C(=O)COC(=O)c2cc(C)oc2C)c(=O)[nH]c1=O ZINC000003534218 569453492 /nfs/dbraw/zinc/45/34/92/569453492.db2.gz NLYVGSKFSCMSSE-UHFFFAOYSA-N 0 0 434.493 1.975 50 0 IDAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000003570835 569454250 /nfs/dbraw/zinc/45/42/50/569454250.db2.gz QMDVVEWFPIQSAW-IBGZPJMESA-N 0 0 447.944 1.974 50 0 IDAARN CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2O1 ZINC000031720300 569457093 /nfs/dbraw/zinc/45/70/93/569457093.db2.gz HWGUPCROHDAJBB-IBGZPJMESA-N 0 0 446.529 1.733 50 0 IDAARN CCn1c(CCC(=O)Nc2nnc3ccccn32)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000031739604 569457158 /nfs/dbraw/zinc/45/71/58/569457158.db2.gz FBHJUVZMDFWPIK-UHFFFAOYSA-N 0 0 441.517 1.921 50 0 IDAARN O=S(=O)(NCc1ccccc1F)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772778 569457209 /nfs/dbraw/zinc/45/72/09/569457209.db2.gz LINRPEHGBSRLNF-INIZCTEOSA-N 0 0 447.531 1.265 50 0 IDAARN CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(C)c(SCC(N)=O)s2)c1 ZINC000031799605 569457537 /nfs/dbraw/zinc/45/75/37/569457537.db2.gz KERDNBJLVZOZPN-UHFFFAOYSA-N 0 0 428.561 1.888 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000032090897 569459608 /nfs/dbraw/zinc/45/96/08/569459608.db2.gz AENFADSETLIRFP-OAHLLOKOSA-N 0 0 439.468 1.964 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)NCCC(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000032094211 569459783 /nfs/dbraw/zinc/45/97/83/569459783.db2.gz VBJNEYYIDMBRNG-CQSZACIVSA-N 0 0 425.441 1.922 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc1 ZINC000032104575 569460220 /nfs/dbraw/zinc/46/02/20/569460220.db2.gz XPKLBMFMLPNHGY-KRWDZBQOSA-N 0 0 430.486 1.173 50 0 IDAARN CN(C)C(=O)N1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000032244540 569460904 /nfs/dbraw/zinc/46/09/04/569460904.db2.gz XIRNMJRLCZOSFY-UHFFFAOYSA-N 0 0 425.283 1.000 50 0 IDAARN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000059488010 569461633 /nfs/dbraw/zinc/46/16/33/569461633.db2.gz VDTPQSMPHAKDCF-IRQJKIPJSA-N 0 0 429.448 1.988 50 0 biogenic IDAARN CC(C)OCCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000004284124 569461827 /nfs/dbraw/zinc/46/18/27/569461827.db2.gz HUNLWHQDAYOPJH-IRXDYDNUSA-N 0 0 425.576 1.841 50 0 IDAARN CCN(CC)S(=O)(=O)c1c(C)nn(S(=O)(=O)c2ccc3nsnc3c2)c1C ZINC000008755257 569473958 /nfs/dbraw/zinc/47/39/58/569473958.db2.gz OPTJPTYCUPHOGM-UHFFFAOYSA-N 0 0 429.549 1.772 50 0 IDAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 ZINC000038488171 569462972 /nfs/dbraw/zinc/46/29/72/569462972.db2.gz GZWWFDGHRWEMHP-UHFFFAOYSA-N 0 0 425.514 1.395 50 0 IDAARN Cc1nc(NC(=O)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)sc1C(=O)N(C)C ZINC000038488419 569463067 /nfs/dbraw/zinc/46/30/67/569463067.db2.gz ZLXWRYGLRFUOQE-ZDUSSCGKSA-N 0 0 439.563 1.507 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)n1 ZINC000038542321 569463290 /nfs/dbraw/zinc/46/32/90/569463290.db2.gz XFQAEVWTWCAWOU-AWEZNQCLSA-N 0 0 440.547 1.603 50 0 IDAARN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCCO ZINC000008435566 569464323 /nfs/dbraw/zinc/46/43/23/569464323.db2.gz ZNUUJCYUHNBQCL-UHFFFAOYSA-N 0 0 427.320 1.749 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000067197198 569464394 /nfs/dbraw/zinc/46/43/94/569464394.db2.gz QKMAOFWXLLCOSB-UHFFFAOYSA-N 0 0 433.420 1.850 50 0 IDAARN COc1ccccc1-n1c(=O)nc2nc(N3CCN(c4ccccn4)CC3)[nH]cc-2c1=O ZINC000067264319 569466742 /nfs/dbraw/zinc/46/67/42/569466742.db2.gz PAYIMGHMSRBHCG-UHFFFAOYSA-N 0 0 431.456 1.612 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285890 569466852 /nfs/dbraw/zinc/46/68/52/569466852.db2.gz XDZGRJMXLXGCLM-HXUWFJFHSA-N 0 0 446.504 1.039 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286930 569467001 /nfs/dbraw/zinc/46/70/01/569467001.db2.gz ZDSZQHCJBIEEMZ-SFHVURJKSA-N 0 0 432.546 1.777 50 0 IDAARN CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC ZINC000067286481 569467128 /nfs/dbraw/zinc/46/71/28/569467128.db2.gz YUHWIZTVTWNHOQ-KRWDZBQOSA-N 0 0 435.477 1.216 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000067287693 569467207 /nfs/dbraw/zinc/46/72/07/569467207.db2.gz GSEINSCXFAINCR-HXUWFJFHSA-N 0 0 430.505 1.421 50 0 IDAARN CCc1ccc(CNC(=O)Cn2cnc3nc(N4CCN(CC)CC4)sc3c2=O)cc1 ZINC000067319325 569468499 /nfs/dbraw/zinc/46/84/99/569468499.db2.gz BSKKAUDIAOICBX-UHFFFAOYSA-N 0 0 440.573 1.874 50 0 IDAARN CCCNC(=O)c1nsc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1N ZINC000067334906 569468821 /nfs/dbraw/zinc/46/88/21/569468821.db2.gz DRDZPBMZHUQGCZ-UHFFFAOYSA-N 0 0 431.518 1.552 50 0 IDAARN CCCn1cc(C(=O)N2CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337596 569468960 /nfs/dbraw/zinc/46/89/60/569468960.db2.gz BVTUGTSBJZXBDL-UHFFFAOYSA-N 0 0 437.953 1.913 50 0 IDAARN COc1ccc(OC)c2sc(N(C[C@@H]3CCCO3)C(=O)CN(C)S(C)(=O)=O)nc21 ZINC000038840396 569469294 /nfs/dbraw/zinc/46/92/94/569469294.db2.gz SDKFASFLABCYGZ-LBPRGKRZSA-N 0 0 443.547 1.717 50 0 IDAARN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)c1c[nH]c2ccccc21 ZINC000008708522 569470676 /nfs/dbraw/zinc/47/06/76/569470676.db2.gz AFESBGMMKMKSJM-STQMWFEESA-N 0 0 431.470 1.448 50 0 IDAARN C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)c1c[nH]c2ccccc21 ZINC000008708524 569470687 /nfs/dbraw/zinc/47/06/87/569470687.db2.gz AFESBGMMKMKSJM-OLZOCXBDSA-N 0 0 431.470 1.448 50 0 IDAARN C[C@H]1Sc2ccc(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2NC1=O ZINC000008713600 569471051 /nfs/dbraw/zinc/47/10/51/569471051.db2.gz CWDIOAURFUXFGI-SNVBAGLBSA-N 0 0 435.483 1.562 50 0 IDAARN COCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000008725395 569472143 /nfs/dbraw/zinc/47/21/43/569472143.db2.gz KZUWMMKKXBRFEQ-UHFFFAOYSA-N 0 0 432.484 1.941 50 0 IDAARN COc1ccc(C(=O)NCC(=O)Nc2c(C)nn(C)c2C)cc1S(=O)(=O)N1CCCC1 ZINC000008728602 569472424 /nfs/dbraw/zinc/47/24/24/569472424.db2.gz VYCZCKMUQLXWFL-UHFFFAOYSA-N 0 0 449.533 1.199 50 0 IDAARN CCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000008753636 569473734 /nfs/dbraw/zinc/47/37/34/569473734.db2.gz NIPXTTDVIXSSFN-LBPRGKRZSA-N 0 0 432.531 1.991 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)c(C)c1N(C)S(C)(=O)=O ZINC000008754070 569473787 /nfs/dbraw/zinc/47/37/87/569473787.db2.gz JEPOXQVKUTYVFH-UHFFFAOYSA-N 0 0 431.580 1.380 50 0 IDAARN C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000008760451 569474241 /nfs/dbraw/zinc/47/42/41/569474241.db2.gz QDZXBMVBTFSPAQ-GDBMZVCRSA-N 0 0 445.497 1.253 50 0 IDAARN O=C(C[C@H]1CCS(=O)(=O)C1)OCCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000008763856 569474493 /nfs/dbraw/zinc/47/44/93/569474493.db2.gz NVQZAASFFMGAGA-LLVKDONJSA-N 0 0 444.303 1.803 50 0 IDAARN COc1ccc(OC)c(NC(=O)CN2c3ccccc3C(=O)N3C[C@@H](O)C[C@H]3C2=O)c1 ZINC000008764681 569474636 /nfs/dbraw/zinc/47/46/36/569474636.db2.gz LTMHMEWIUFQEGY-UGSOOPFHSA-N 0 0 425.441 1.265 50 0 biogenic IDAARN Nc1cccc2c1C(=O)N(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)C2=O ZINC000008825829 569477448 /nfs/dbraw/zinc/47/74/48/569477448.db2.gz WAACYMRXCSNDIW-UHFFFAOYSA-N 0 0 449.872 1.380 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1 ZINC000008848687 569479201 /nfs/dbraw/zinc/47/92/01/569479201.db2.gz CKIAXYMRBDHBLG-UHFFFAOYSA-N 0 0 435.440 1.372 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(C)cc2)c1 ZINC000008849680 569479237 /nfs/dbraw/zinc/47/92/37/569479237.db2.gz OBCQZGXYICGUHK-UHFFFAOYSA-N 0 0 437.456 1.521 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(F)c2)c(=O)c3=O)cc1 ZINC000008849400 569479251 /nfs/dbraw/zinc/47/92/51/569479251.db2.gz LLWBEYIXGLUXKH-UHFFFAOYSA-N 0 0 425.420 1.733 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(OC)cc2)c(=O)c3=O)cc1 ZINC000008849412 569479264 /nfs/dbraw/zinc/47/92/64/569479264.db2.gz UHBUEZBNOVXJCS-UHFFFAOYSA-N 0 0 437.456 1.603 50 0 IDAARN Cc1ccc(N2CCn3c2nn(CC(=O)NCc2ccccc2Cl)c(=O)c3=O)cc1 ZINC000008849875 569479294 /nfs/dbraw/zinc/47/92/94/569479294.db2.gz URQQDLKFLOMUQX-UHFFFAOYSA-N 0 0 425.876 1.835 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(-c3nnc4n3CCCCC4)cc1)c(=O)n2C ZINC000008862086 569480068 /nfs/dbraw/zinc/48/00/68/569480068.db2.gz LBFBHEKUPPRDFL-UHFFFAOYSA-N 0 0 448.487 1.057 50 0 IDAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1=O ZINC000008862199 569480157 /nfs/dbraw/zinc/48/01/57/569480157.db2.gz LSKYFFKJYJUOKT-HXUWFJFHSA-N 0 0 429.502 1.792 50 0 IDAARN CCN(C(=O)COC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC)C1CCCCC1 ZINC000039547418 569481707 /nfs/dbraw/zinc/48/17/07/569481707.db2.gz FHLJFWXRVKZBQW-UHFFFAOYSA-N 0 0 436.505 1.824 50 0 IDAARN C[C@@H](NC(=O)COc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000039995763 569482389 /nfs/dbraw/zinc/48/23/89/569482389.db2.gz HLJMAHLIGVJHMB-RTBURBONSA-N 0 0 439.512 1.851 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000040013172 569482563 /nfs/dbraw/zinc/48/25/63/569482563.db2.gz JOAUPGRUTFHEBX-MRXNPFEDSA-N 0 0 438.550 1.306 50 0 IDAARN Cc1cc(CN2CCN(C(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)CC2)on1 ZINC000040013540 569482594 /nfs/dbraw/zinc/48/25/94/569482594.db2.gz LRDBPHNHNYTELV-SFHVURJKSA-N 0 0 448.545 1.398 50 0 IDAARN COc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(-n5cnnn5)c4)CC3)n2)cc1 ZINC000040037669 569483258 /nfs/dbraw/zinc/48/32/58/569483258.db2.gz IIQIMMZZZWOUAC-UHFFFAOYSA-N 0 0 446.471 1.679 50 0 IDAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000040040148 569483411 /nfs/dbraw/zinc/48/34/11/569483411.db2.gz MPWBSQYKPKEKNB-QWHCGFSZSA-N 0 0 445.925 1.518 50 0 IDAARN O=C(c1cnc2ccccn2c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000040040315 569483435 /nfs/dbraw/zinc/48/34/35/569483435.db2.gz LPRWPIPWRZEETG-UHFFFAOYSA-N 0 0 438.918 1.556 50 0 IDAARN CCOC(=O)[C@@H]1CSCCN1C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000040047055 569483732 /nfs/dbraw/zinc/48/37/32/569483732.db2.gz CHCVUBWZGSGKIK-CKNLXJGOSA-N 0 0 425.551 1.630 50 0 IDAARN C[C@@H](NC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)CCCC2 ZINC000008898843 569484045 /nfs/dbraw/zinc/48/40/45/569484045.db2.gz ZEEJQFSPLJGGOB-GFCCVEGCSA-N 0 0 429.908 1.843 50 0 IDAARN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000008917843 569486109 /nfs/dbraw/zinc/48/61/09/569486109.db2.gz MMQUYVMIBCZPRK-CKNLXJGOSA-N 0 0 448.472 1.568 50 0 biogenic IDAARN O=C(Nc1cccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1)c1ccco1 ZINC000040074498 569486273 /nfs/dbraw/zinc/48/62/73/569486273.db2.gz HJLHUYCCSQXDTI-UHFFFAOYSA-N 0 0 426.454 1.646 50 0 IDAARN Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000040081142 569486596 /nfs/dbraw/zinc/48/65/96/569486596.db2.gz QSPOBEDRXULVEY-IAGOWNOFSA-N 0 0 427.592 1.585 50 0 IDAARN O=C([C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)N1CCN(Cc2ccncc2)CC1 ZINC000040087826 569486787 /nfs/dbraw/zinc/48/67/87/569486787.db2.gz XOUVRXOLIIZPFC-VQTJNVASSA-N 0 0 428.533 1.708 50 0 IDAARN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000040094802 569487518 /nfs/dbraw/zinc/48/75/18/569487518.db2.gz WQNQBNSLEUFXQQ-HXUWFJFHSA-N 0 0 431.558 1.816 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)o1 ZINC000040106619 569488450 /nfs/dbraw/zinc/48/84/50/569488450.db2.gz GYYAFMQCJPUUMQ-UHFFFAOYSA-N 0 0 446.481 1.765 50 0 IDAARN C[C@@H]1CN(c2ccc(CNC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cn2)CCO1 ZINC000040112426 569488926 /nfs/dbraw/zinc/48/89/26/569488926.db2.gz VPSSHKOBJPMNIM-MRXNPFEDSA-N 0 0 429.521 1.520 50 0 IDAARN CSc1nc2c(cnn2CCNC(=O)COc2ccccc2F)c(N2CCOCC2)n1 ZINC000008947398 569489098 /nfs/dbraw/zinc/48/90/98/569489098.db2.gz KXVGQIWKEDPVAY-UHFFFAOYSA-N 0 0 446.508 1.719 50 0 IDAARN Cc1cc(C(=O)N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(Br)cc3)CC2)on1 ZINC000040122778 569489632 /nfs/dbraw/zinc/48/96/32/569489632.db2.gz AAQBYORUWNGLEY-ZDUSSCGKSA-N 0 0 449.305 1.848 50 0 IDAARN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 ZINC000040134201 569490503 /nfs/dbraw/zinc/49/05/03/569490503.db2.gz CWMDCEPQDCIJPG-INIZCTEOSA-N 0 0 429.502 1.154 50 0 IDAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)Cn3c4ccccc4[nH]c(=O)c3=O)ccc21 ZINC000040138913 569490784 /nfs/dbraw/zinc/49/07/84/569490784.db2.gz XZIKQOVRQVIYNX-CYBMUJFWSA-N 0 0 435.436 1.413 50 0 IDAARN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccnc1N1CCOCC1 ZINC000040141879 569491775 /nfs/dbraw/zinc/49/17/75/569491775.db2.gz QCXSUOBKJJNNHN-UHFFFAOYSA-N 0 0 429.868 1.486 50 0 IDAARN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)o1 ZINC000040142135 569491850 /nfs/dbraw/zinc/49/18/50/569491850.db2.gz VBOYQRMNEXRCEN-NWDGAFQWSA-N 0 0 437.440 1.580 50 0 IDAARN C[C@@H]1CN(Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@H](C)O1 ZINC000040142421 569491887 /nfs/dbraw/zinc/49/18/87/569491887.db2.gz ISANZPJVBRNCNT-GASCZTMLSA-N 0 0 437.500 1.161 50 0 IDAARN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2F)C[C@H](C)O1 ZINC000040152620 569493461 /nfs/dbraw/zinc/49/34/61/569493461.db2.gz QZOFNGQBTSZMJX-STQMWFEESA-N 0 0 443.522 1.888 50 0 IDAARN CCCCCN(C(=O)c1ccnc(-n2cncn2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000040156319 569494111 /nfs/dbraw/zinc/49/41/11/569494111.db2.gz FGWJCWYKZIECRX-UHFFFAOYSA-N 0 0 440.508 1.732 50 0 IDAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(=O)N3CCCC3)cc21 ZINC000040156726 569494190 /nfs/dbraw/zinc/49/41/90/569494190.db2.gz SXEDCKMHIXJAKI-UHFFFAOYSA-N 0 0 430.324 1.259 50 0 IDAARN COc1ccc(N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cccs2)cc1 ZINC000040159322 569494676 /nfs/dbraw/zinc/49/46/76/569494676.db2.gz VXRGSDHRFLDPRC-CYBMUJFWSA-N 0 0 444.556 1.255 50 0 IDAARN COc1ccc(N(CC(=O)N[C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2cccs2)cc1 ZINC000040159323 569494733 /nfs/dbraw/zinc/49/47/33/569494733.db2.gz VXRGSDHRFLDPRC-ZDUSSCGKSA-N 0 0 444.556 1.255 50 0 IDAARN COc1ccc(N(CCC(=O)N2CCNC(=O)C2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000040160773 569495138 /nfs/dbraw/zinc/49/51/38/569495138.db2.gz GHRCGDRLLBDNSE-UHFFFAOYSA-N 0 0 445.541 1.856 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N=c1[nH]c2ccccc2[nH]1 ZINC000008992779 569495371 /nfs/dbraw/zinc/49/53/71/569495371.db2.gz UYGSSGBYOKHKNO-HNNXBMFYSA-N 0 0 441.513 1.140 50 0 IDAARN O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)N=c1[nH]c2ccccc2[nH]1 ZINC000008992946 569495442 /nfs/dbraw/zinc/49/54/42/569495442.db2.gz UYRARWBGWHXDAG-UHFFFAOYSA-N 0 0 441.513 1.140 50 0 IDAARN COc1ccc([C@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)Nc3nc(SC)nn32)cc1 ZINC000008995322 569495631 /nfs/dbraw/zinc/49/56/31/569495631.db2.gz DGKMSOPAMVEPFC-CYBMUJFWSA-N 0 0 428.474 1.718 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)cc1 ZINC000009001391 569495996 /nfs/dbraw/zinc/49/59/96/569495996.db2.gz GNJLLWQRFBGCPC-UHFFFAOYSA-N 0 0 444.451 1.599 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000009001361 569496028 /nfs/dbraw/zinc/49/60/28/569496028.db2.gz UDVCZINFCIKZEJ-UHFFFAOYSA-N 0 0 431.408 1.369 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2ccncc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000009001641 569496037 /nfs/dbraw/zinc/49/60/37/569496037.db2.gz ODWDSUPGUODUNL-UHFFFAOYSA-N 0 0 445.435 1.047 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1OC ZINC000009037413 569497310 /nfs/dbraw/zinc/49/73/10/569497310.db2.gz MURWNBWXOBYYSE-CYBMUJFWSA-N 0 0 434.470 1.764 50 0 IDAARN Cc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009039867 569497464 /nfs/dbraw/zinc/49/74/64/569497464.db2.gz IXEXMWCFVPDCJJ-UHFFFAOYSA-N 0 0 426.864 1.661 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)n1 ZINC000040287454 569498185 /nfs/dbraw/zinc/49/81/85/569498185.db2.gz PITWUNDKHFOUMQ-HXUWFJFHSA-N 0 0 428.470 1.796 50 0 IDAARN C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CCCCCC1 ZINC000009050215 569498597 /nfs/dbraw/zinc/49/85/97/569498597.db2.gz WQHKAAHATGKHJT-FZKQIMNGSA-N 0 0 446.953 1.750 50 0 IDAARN O=C(NCCCn1ccnc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000009060291 569499434 /nfs/dbraw/zinc/49/94/34/569499434.db2.gz QDSJOWQQDIYOIH-CQSZACIVSA-N 0 0 434.547 1.495 50 0 IDAARN O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000009061189 569499631 /nfs/dbraw/zinc/49/96/31/569499631.db2.gz KCPMKXWWYKUNKZ-SFHVURJKSA-N 0 0 442.541 1.926 50 0 IDAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000245228414 569499740 /nfs/dbraw/zinc/49/97/40/569499740.db2.gz WLZOMBNZFSRRDK-CLCXKQKWSA-N 0 0 426.535 1.787 50 0 IDAARN CN1C(=O)c2cccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C1=O ZINC000009066345 569499895 /nfs/dbraw/zinc/49/98/95/569499895.db2.gz DAPXZDMQQYXPEK-MRXNPFEDSA-N 0 0 431.445 1.843 50 0 IDAARN CCCn1c(N)c(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)c(=O)[nH]c1=O ZINC000009124930 569504465 /nfs/dbraw/zinc/50/44/65/569504465.db2.gz RDPNRBXJXFOCMM-UHFFFAOYSA-N 0 0 436.468 1.996 50 0 IDAARN O=C(CNC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(F)cc1 ZINC000009125290 569504605 /nfs/dbraw/zinc/50/46/05/569504605.db2.gz WOMBFQUUTMCUNQ-OAQYLSRUSA-N 0 0 426.404 1.110 50 0 IDAARN O=S(=O)(c1cccc(Br)c1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000009126202 569504869 /nfs/dbraw/zinc/50/48/69/569504869.db2.gz UEIMPMNAFHCCGV-UHFFFAOYSA-N 0 0 449.334 1.936 50 0 IDAARN O=C(COC(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000009126615 569504955 /nfs/dbraw/zinc/50/49/55/569504955.db2.gz QMJNSJHGQIJMPC-MRXNPFEDSA-N 0 0 431.445 1.921 50 0 IDAARN C[C@H](NC(=O)CNS(=O)(=O)c1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000009126563 569504991 /nfs/dbraw/zinc/50/49/91/569504991.db2.gz RARNTAAKGRGZKO-NSHDSACASA-N 0 0 431.923 1.143 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C3CCCCC3)n2N)C1=O ZINC000009127345 569505165 /nfs/dbraw/zinc/50/51/65/569505165.db2.gz OLNJQCLGZYYSPC-HXUWFJFHSA-N 0 0 443.533 1.630 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000009127452 569505177 /nfs/dbraw/zinc/50/51/77/569505177.db2.gz DEOGTZCJUSLNFX-UHFFFAOYSA-N 0 0 437.543 1.682 50 0 IDAARN CC(=O)N1CCN(CCNc2nc(CN3CCOCC3)nc3sc(C)c(C)c32)CC1 ZINC000069443223 569506550 /nfs/dbraw/zinc/50/65/50/569506550.db2.gz LNJXMVDBDPFTCK-UHFFFAOYSA-N 0 0 432.594 1.716 50 0 IDAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)Nc1nccs1 ZINC000009134080 569506971 /nfs/dbraw/zinc/50/69/71/569506971.db2.gz GUYLLBXCERNPGD-LBPRGKRZSA-N 0 0 440.522 1.826 50 0 IDAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2O1 ZINC000009134249 569507029 /nfs/dbraw/zinc/50/70/29/569507029.db2.gz NXODTQRMTWERNW-UHFFFAOYSA-N 0 0 434.470 1.479 50 0 IDAARN Cc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1O ZINC000009141362 569507290 /nfs/dbraw/zinc/50/72/90/569507290.db2.gz XQQMOCXLPMSDBW-UHFFFAOYSA-N 0 0 448.497 1.825 50 0 IDAARN O=C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)NCc1ccco1 ZINC000009155772 569508302 /nfs/dbraw/zinc/50/83/02/569508302.db2.gz FDWLCNFCGSCMFP-UHFFFAOYSA-N 0 0 425.894 1.764 50 0 IDAARN O=C(COC(=O)c1ccccc1NCCO)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009157638 569508437 /nfs/dbraw/zinc/50/84/37/569508437.db2.gz CBLIEZYIRDDEAK-QGZVFWFLSA-N 0 0 438.546 1.596 50 0 IDAARN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000069596026 569508765 /nfs/dbraw/zinc/50/87/65/569508765.db2.gz ONJOLLPGLQJAAY-OKILXGFUSA-N 0 0 433.534 1.143 50 0 IDAARN Cc1nc(Cc2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)o2)cs1 ZINC000009166381 569508832 /nfs/dbraw/zinc/50/88/32/569508832.db2.gz QSJMGOSVXFVYJS-UHFFFAOYSA-N 0 0 436.519 1.803 50 0 IDAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O)CCC2 ZINC000009167628 569509020 /nfs/dbraw/zinc/50/90/20/569509020.db2.gz SATJLLPTKUXGHK-UHFFFAOYSA-N 0 0 437.474 1.226 50 0 IDAARN NC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000009217179 569512284 /nfs/dbraw/zinc/51/22/84/569512284.db2.gz AEGNTOBYCLEDSM-IBGZPJMESA-N 0 0 433.574 1.690 50 0 IDAARN NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1cccc(OC(F)F)c1 ZINC000009223316 569512902 /nfs/dbraw/zinc/51/29/02/569512902.db2.gz YHCORGHHYRDMEY-UHFFFAOYSA-N 0 0 427.385 1.360 50 0 IDAARN O=C(c1cnn(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009223629 569512983 /nfs/dbraw/zinc/51/29/83/569512983.db2.gz MZJWKPJCUWAJLB-UHFFFAOYSA-N 0 0 437.525 1.903 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)nc1N ZINC000009224323 569513170 /nfs/dbraw/zinc/51/31/70/569513170.db2.gz FGBCMOKLWBIRGW-UHFFFAOYSA-N 0 0 433.442 1.525 50 0 IDAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000009226234 569513265 /nfs/dbraw/zinc/51/32/65/569513265.db2.gz YAFXVPBAXFJSMQ-CQSZACIVSA-N 0 0 431.470 1.344 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc3ccc(-c4ccccn4)nn32)CC1 ZINC000009241407 569514695 /nfs/dbraw/zinc/51/46/95/569514695.db2.gz HHUJAWDNWLRWPI-UHFFFAOYSA-N 0 0 427.490 1.579 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000009245486 569515331 /nfs/dbraw/zinc/51/53/31/569515331.db2.gz WPHIOCGJAGBPLC-OAQYLSRUSA-N 0 0 444.465 1.511 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000009245611 569515374 /nfs/dbraw/zinc/51/53/74/569515374.db2.gz IPNGKNNXPXEUDT-IBGZPJMESA-N 0 0 445.541 1.601 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000009245720 569515405 /nfs/dbraw/zinc/51/54/05/569515405.db2.gz LRSLEAGQOVLPTI-OAHLLOKOSA-N 0 0 435.502 1.381 50 0 IDAARN COCCN(C(=O)c1cnc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009253850 569516243 /nfs/dbraw/zinc/51/62/43/569516243.db2.gz LCBOYTPJEGOMBA-UHFFFAOYSA-N 0 0 446.467 1.404 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-n4cnnn4)c3)cc2)C[C@@H](C)O1 ZINC000009256503 569516741 /nfs/dbraw/zinc/51/67/41/569516741.db2.gz VLPJZIWBRHIARX-HUUCEWRRSA-N 0 0 442.501 1.713 50 0 IDAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-n4cnnn4)c3)cc2)C[C@H](C)O1 ZINC000009256502 569516742 /nfs/dbraw/zinc/51/67/42/569516742.db2.gz VLPJZIWBRHIARX-GJZGRUSLSA-N 0 0 442.501 1.713 50 0 IDAARN Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009283928 569518984 /nfs/dbraw/zinc/51/89/84/569518984.db2.gz HIIADJWKKDHHJA-UHFFFAOYSA-N 0 0 449.467 1.512 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](O)c3ccccc3)C2)cc1 ZINC000009303673 569521047 /nfs/dbraw/zinc/52/10/47/569521047.db2.gz WKAPESNSXAEIAF-NQIIRXRSSA-N 0 0 445.541 1.896 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)Nc3cccnc3)C2)cc1 ZINC000009303954 569521096 /nfs/dbraw/zinc/52/10/96/569521096.db2.gz YARRYTNQQJROFP-MRXNPFEDSA-N 0 0 446.529 1.636 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)NCCc1cccc(F)c1)c(=O)n2Cc1ccccc1 ZINC000009315086 569522073 /nfs/dbraw/zinc/52/20/73/569522073.db2.gz HHTIGPFWCRIPNS-UHFFFAOYSA-N 0 0 449.486 1.926 50 0 IDAARN Cc1cc(C)n2nc(SCC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2n1 ZINC000009317046 569522348 /nfs/dbraw/zinc/52/23/48/569522348.db2.gz QHPMTTONEWIIPY-UHFFFAOYSA-N 0 0 447.542 1.737 50 0 IDAARN CCOc1ccc([C@@H]2CCCN2C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009337491 569523561 /nfs/dbraw/zinc/52/35/61/569523561.db2.gz YCYCCZBZDANUNI-SFHVURJKSA-N 0 0 439.516 1.976 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCSc1nnc(NC[C@H]3CCCO3)s1)c(=O)n2C ZINC000009338106 569523618 /nfs/dbraw/zinc/52/36/18/569523618.db2.gz VEMLTBUFCLURLM-LLVKDONJSA-N 0 0 437.551 1.059 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCSc1nnc(NC[C@@H]3CCCO3)s1)c(=O)n2C ZINC000009338105 569523655 /nfs/dbraw/zinc/52/36/55/569523655.db2.gz VEMLTBUFCLURLM-NSHDSACASA-N 0 0 437.551 1.059 50 0 IDAARN COc1cccc(/C=C2\SC(=O)N(CCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)c1 ZINC000009348807 569524592 /nfs/dbraw/zinc/52/45/92/569524592.db2.gz XUTAXMXYCRHFEI-VQCBNXJZSA-N 0 0 438.527 1.767 50 0 IDAARN CN(CCCc1cc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000069949289 569525196 /nfs/dbraw/zinc/52/51/96/569525196.db2.gz 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CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009403479 569529459 /nfs/dbraw/zinc/52/94/59/569529459.db2.gz RGRSJECZGYTCLE-UHFFFAOYSA-N 0 0 439.515 1.467 50 0 IDAARN Cn1c2ccc(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)cc2n(C)c(=O)c1=O ZINC000009407844 569530354 /nfs/dbraw/zinc/53/03/54/569530354.db2.gz VQPQIKZGOWCAQT-UHFFFAOYSA-N 0 0 435.889 1.693 50 0 IDAARN C[C@@H]1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000009407887 569530404 /nfs/dbraw/zinc/53/04/04/569530404.db2.gz OINHOOZBKHXEHK-CQSZACIVSA-N 0 0 441.509 1.379 50 0 IDAARN CC[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)c1cccs1 ZINC000009407899 569530416 /nfs/dbraw/zinc/53/04/16/569530416.db2.gz MRVRINBKLCKAAJ-AWEZNQCLSA-N 0 0 449.554 1.730 50 0 IDAARN COc1cccc(N(CC(=O)Nc2cc(C)[nH]n2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000009408290 569530564 /nfs/dbraw/zinc/53/05/64/569530564.db2.gz ASOAGBMIMVBVQP-HUUCEWRRSA-N 0 0 435.531 1.440 50 0 IDAARN COc1ccc(N(CC(=O)Nc2cc(C)[nH]n2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009408257 569530567 /nfs/dbraw/zinc/53/05/67/569530567.db2.gz CXAXBRYHAGDYLN-LSDHHAIUSA-N 0 0 435.531 1.440 50 0 IDAARN COC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n3C2)cc1 ZINC000009409746 569531139 /nfs/dbraw/zinc/53/11/39/569531139.db2.gz OBBVQBYYDIDFRJ-ODLFYWEKSA-N 0 0 439.493 1.597 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)Nc3nccs3)nc(-c3ccco3)nc2n(C)c1=O ZINC000009411468 569531538 /nfs/dbraw/zinc/53/15/38/569531538.db2.gz AHTCYIHDJWJEHJ-UHFFFAOYSA-N 0 0 430.471 1.475 50 0 IDAARN C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009415815 569532262 /nfs/dbraw/zinc/53/22/62/569532262.db2.gz SIDCRQDCCKZEOJ-NEPJUHHUSA-N 0 0 438.531 1.640 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)CC1 ZINC000009418938 569532493 /nfs/dbraw/zinc/53/24/93/569532493.db2.gz PUBGQMMCPHQVAW-CROMWVBPSA-N 0 0 441.484 1.282 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3cccnc3)C2)cc1 ZINC000009423110 569532975 /nfs/dbraw/zinc/53/29/75/569532975.db2.gz XKCLYTUTBLHJBY-OAHLLOKOSA-N 0 0 432.502 1.246 50 0 IDAARN O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCc1ccccn1 ZINC000009423768 569532976 /nfs/dbraw/zinc/53/29/76/569532976.db2.gz VEMHDNUQEVYNLJ-UHFFFAOYSA-N 0 0 434.500 1.737 50 0 IDAARN O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1cccnc1 ZINC000009423801 569533021 /nfs/dbraw/zinc/53/30/21/569533021.db2.gz FVBNWUDQHKPQRW-UHFFFAOYSA-N 0 0 436.921 1.891 50 0 IDAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)CC1 ZINC000009430704 569533965 /nfs/dbraw/zinc/53/39/65/569533965.db2.gz NSDWSGUWPYYNLA-GFCCVEGCSA-N 0 0 425.532 1.533 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000009442793 569535666 /nfs/dbraw/zinc/53/56/66/569535666.db2.gz URQPAINUPBXUMX-XMMPIXPASA-N 0 0 445.479 1.816 50 0 IDAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC[C@H]1CCCO1 ZINC000009453088 569536595 /nfs/dbraw/zinc/53/65/95/569536595.db2.gz JMWOZEJYHSBJPU-XPIZARPCSA-N 0 0 445.516 1.247 50 0 IDAARN Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000009453786 569536670 /nfs/dbraw/zinc/53/66/70/569536670.db2.gz IUFFCXFGINNBIR-UHFFFAOYSA-N 0 0 436.461 1.373 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)NC(=O)N[C@H]1C ZINC000009462889 569537358 /nfs/dbraw/zinc/53/73/58/569537358.db2.gz ADDBGSIZQUFUTF-GOEBONIOSA-N 0 0 429.473 1.405 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)NC(=O)N[C@@H]1C ZINC000009462891 569537369 /nfs/dbraw/zinc/53/73/69/569537369.db2.gz ADDBGSIZQUFUTF-ZBFHGGJFSA-N 0 0 429.473 1.405 50 0 IDAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000009467989 569538526 /nfs/dbraw/zinc/53/85/26/569538526.db2.gz DROUGKCVDGTHFU-UHFFFAOYSA-N 0 0 441.465 1.939 50 0 IDAARN CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)n2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009477740 569539215 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437.500 1.271 50 0 IDAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000009492349 569540601 /nfs/dbraw/zinc/54/06/01/569540601.db2.gz ZAJGVOZACWCGJN-UHFFFAOYSA-N 0 0 446.529 1.996 50 0 IDAARN CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000009492939 569540673 /nfs/dbraw/zinc/54/06/73/569540673.db2.gz UEABAPWZVPLWFO-ZDUSSCGKSA-N 0 0 431.942 1.804 50 0 IDAARN Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)nn1-c1ccccc1 ZINC000009494913 569540926 /nfs/dbraw/zinc/54/09/26/569540926.db2.gz SPKHWPQDCBBZBI-UHFFFAOYSA-N 0 0 444.538 1.749 50 0 IDAARN C[C@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(SCC(=O)N2CCOCC2)n1-3 ZINC000009498039 569541321 /nfs/dbraw/zinc/54/13/21/569541321.db2.gz QWXKVEAMRWTFAY-NSHDSACASA-N 0 0 443.558 1.966 50 0 IDAARN CCn1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c2ccccc2c1=O ZINC000009499555 569541478 /nfs/dbraw/zinc/54/14/78/569541478.db2.gz UMYUJBGDZSCYSX-UHFFFAOYSA-N 0 0 430.486 1.928 50 0 IDAARN CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1cccc(F)c1 ZINC000009507245 569541972 /nfs/dbraw/zinc/54/19/72/569541972.db2.gz FUWWVDVBAJBBAC-UHFFFAOYSA-N 0 0 425.464 1.401 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009508654 569542377 /nfs/dbraw/zinc/54/23/77/569542377.db2.gz OLCKKNAZNNUQJU-UHFFFAOYSA-N 0 0 436.511 1.843 50 0 IDAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2N)cc1 ZINC000009508843 569542418 /nfs/dbraw/zinc/54/24/18/569542418.db2.gz WSSKYPAJTFYVAM-UHFFFAOYSA-N 0 0 448.530 1.436 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)N(CCc1ccccc1)Cc1cccs1)c(=O)n2C ZINC000009516284 569543458 /nfs/dbraw/zinc/54/34/58/569543458.db2.gz VZMGDAOITXKQPN-UHFFFAOYSA-N 0 0 437.525 1.767 50 0 IDAARN COCCNC(=O)CSc1nc(-c2cc(C)cc(C)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000009517573 569543604 /nfs/dbraw/zinc/54/36/04/569543604.db2.gz PPIOLSKAGCKVBZ-UHFFFAOYSA-N 0 0 443.529 1.166 50 0 IDAARN COCCNC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000009517514 569543614 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/nfs/dbraw/zinc/55/29/84/569552984.db2.gz BSIHEWMXHDDHMO-UHFFFAOYSA-N 0 0 433.417 1.025 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000009632616 569554041 /nfs/dbraw/zinc/55/40/41/569554041.db2.gz ALYOKPHWKCUILY-INIZCTEOSA-N 0 0 432.498 1.586 50 0 IDAARN CCCCn1cnc2c1c(=O)n(Cc1cc(=O)n3ccsc3n1)c(=O)n2CC(C)C ZINC000009635250 569554646 /nfs/dbraw/zinc/55/46/46/569554646.db2.gz NHJSHCVRQUFUEC-UHFFFAOYSA-N 0 0 428.518 1.934 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)OCCN2C(=O)c3ccccc3C2=O)nc1N ZINC000009635414 569554693 /nfs/dbraw/zinc/55/46/93/569554693.db2.gz OAGOLGQNNMVVEU-UHFFFAOYSA-N 0 0 430.442 1.167 50 0 IDAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000009637529 569554802 /nfs/dbraw/zinc/55/48/02/569554802.db2.gz OKDNUACTEZAGOY-UHFFFAOYSA-N 0 0 446.916 1.652 50 0 IDAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009638944 569555080 /nfs/dbraw/zinc/55/50/80/569555080.db2.gz ORQPOAXSKBDCCT-MRXNPFEDSA-N 0 0 445.526 1.680 50 0 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Cc1ccc(S(=O)(=O)CC(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc1 ZINC000009707649 569561606 /nfs/dbraw/zinc/56/16/06/569561606.db2.gz SLFHAJJDGRBMBP-UHFFFAOYSA-N 0 0 435.483 1.861 50 0 IDAARN CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 ZINC000009707778 569561642 /nfs/dbraw/zinc/56/16/42/569561642.db2.gz TWGKUJVKQIJRMY-UHFFFAOYSA-N 0 0 435.527 1.798 50 0 IDAARN CCOC(=O)CCn1c(=O)c2c(nc3n2cc(C)n3-c2cc(C)ccc2OC)n(C)c1=O ZINC000009713094 569562472 /nfs/dbraw/zinc/56/24/72/569562472.db2.gz FRTSKIMYKCUJTA-UHFFFAOYSA-N 0 0 439.472 1.717 50 0 IDAARN COCCn1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)c2ccc(F)cc2)c(=O)n1C ZINC000009713196 569562504 /nfs/dbraw/zinc/56/25/04/569562504.db2.gz AOKNAXWCIWHWLU-UHFFFAOYSA-N 0 0 427.436 1.435 50 0 IDAARN O=C(CSc1nnnn1Cc1cccs1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009714123 569562716 /nfs/dbraw/zinc/56/27/16/569562716.db2.gz UZFRNQHHHVIJRW-CQSZACIVSA-N 0 0 441.604 1.833 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1cccnc1 ZINC000009715293 569563105 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437.562 1.682 50 0 IDAARN Cn1cnc2c1c(=O)n(CC(=O)N1CCc3sccc3[C@H]1c1cccs1)c(=O)n2C ZINC000009744388 569565598 /nfs/dbraw/zinc/56/55/98/569565598.db2.gz KEVYOMPMAFRWNA-INIZCTEOSA-N 0 0 441.538 1.731 50 0 IDAARN O=C(NCCc1ccco1)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000009747268 569565867 /nfs/dbraw/zinc/56/58/67/569565867.db2.gz QDFARVZDFFMMNK-OAHLLOKOSA-N 0 0 439.559 1.750 50 0 IDAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000009767613 569566921 /nfs/dbraw/zinc/56/69/21/569566921.db2.gz JENPVNPJFWDLIJ-CVEARBPZSA-N 0 0 436.559 1.759 50 0 IDAARN COc1ccc(Cn2nnnc2SCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000009783376 569567765 /nfs/dbraw/zinc/56/77/65/569567765.db2.gz OHNAYWYLBOKGSC-MRXNPFEDSA-N 0 0 427.486 1.778 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000009783613 569567855 /nfs/dbraw/zinc/56/78/55/569567855.db2.gz PLBPOEGJMXHIID-UHFFFAOYSA-N 0 0 428.514 1.867 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CCc2c(C)nc3cc(C)nn3c2C)NC(=O)N[C@@H]1C 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CCCc1cc(=O)[nH]c2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n21 ZINC000009829352 569570016 /nfs/dbraw/zinc/57/00/16/569570016.db2.gz ZNJZHGNMKYBZFV-UHFFFAOYSA-N 0 0 431.518 1.838 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cccc(Cl)c2)n(C)c1=O ZINC000009829498 569570139 /nfs/dbraw/zinc/57/01/39/569570139.db2.gz XCZWTNZCBHYWKA-UHFFFAOYSA-N 0 0 429.864 1.972 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccnc4)C3)cc2oc1=O ZINC000009856269 569571597 /nfs/dbraw/zinc/57/15/97/569571597.db2.gz UQRJNCDQOHHBPU-OAHLLOKOSA-N 0 0 430.486 1.244 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)CC1 ZINC000009860853 569571929 /nfs/dbraw/zinc/57/19/29/569571929.db2.gz UNZRRAUYIBRRGP-UHFFFAOYSA-N 0 0 435.484 1.683 50 0 IDAARN Cn1c2ncn(CC(=O)N(CCc3ccccc3)Cc3cccs3)c2c(=O)n(C)c1=O ZINC000009868154 569572299 /nfs/dbraw/zinc/57/22/99/569572299.db2.gz IIWUBRKVYJZGSU-UHFFFAOYSA-N 0 0 437.525 1.767 50 0 IDAARN Cn1c(=O)c(C(=O)CSc2nnc(-c3ccco3)o2)c(N)n(Cc2ccccc2)c1=O ZINC000009885001 569572861 /nfs/dbraw/zinc/57/28/61/569572861.db2.gz VPMUKWFHRCKMAV-UHFFFAOYSA-N 0 0 439.453 1.796 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009915981 569573401 /nfs/dbraw/zinc/57/34/01/569573401.db2.gz IVEQLVWFLGIXTO-UHFFFAOYSA-N 0 0 437.424 1.406 50 0 IDAARN O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2)NCc1ccccn1 ZINC000071281390 569573650 /nfs/dbraw/zinc/57/36/50/569573650.db2.gz QYZIPEOXQNGEET-UHFFFAOYSA-N 0 0 443.261 1.507 50 0 IDAARN CC(C)CCn1c(CSc2nnnn2C)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000009951848 569574528 /nfs/dbraw/zinc/57/45/28/569574528.db2.gz PANBPLAUNASBCB-UHFFFAOYSA-N 0 0 440.533 1.797 50 0 IDAARN CCCCn1c(CN2CCC[C@H](C(N)=O)C2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000009953489 569574668 /nfs/dbraw/zinc/57/46/68/569574668.db2.gz UZWGNDXWHOTUIF-KRWDZBQOSA-N 0 0 438.532 1.432 50 0 IDAARN CCCCn1c(N)c(N(CC)C(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(=O)[nH]c1=O ZINC000009960707 569575414 /nfs/dbraw/zinc/57/54/14/569575414.db2.gz DHNWIMFFRCCOOM-ZDUSSCGKSA-N 0 0 433.534 1.638 50 0 IDAARN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(Cl)cc1 ZINC000009968523 569575905 /nfs/dbraw/zinc/57/59/05/569575905.db2.gz MEUXRWPSGKEJIB-BZSNNMDCSA-N 0 0 443.836 1.637 50 0 IDAARN C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NC(=O)NC1CCCCC1 ZINC000009987235 569576766 /nfs/dbraw/zinc/57/67/66/569576766.db2.gz NLQCBUAQOXCDGR-SNVBAGLBSA-N 0 0 431.898 1.691 50 0 IDAARN NC(=O)c1ccsc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009988906 569576833 /nfs/dbraw/zinc/57/68/33/569576833.db2.gz YKKAWOONQQJODF-LLVKDONJSA-N 0 0 445.453 1.153 50 0 IDAARN O=C(c1cccc(N2CCCC2=O)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000010030680 569577331 /nfs/dbraw/zinc/57/73/31/569577331.db2.gz QPPWFQJNGHKKAJ-OAQYLSRUSA-N 0 0 435.480 1.938 50 0 IDAARN Cn1nnnc1-c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 ZINC000010084155 569577696 /nfs/dbraw/zinc/57/76/96/569577696.db2.gz ATUKSZLDBKMHLC-UHFFFAOYSA-N 0 0 446.464 1.289 50 0 IDAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1nccnc1N ZINC000010138900 569578117 /nfs/dbraw/zinc/57/81/17/569578117.db2.gz WDKNZMVOZODBID-UHFFFAOYSA-N 0 0 447.517 1.808 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1CCOCCO ZINC000010233376 569579600 /nfs/dbraw/zinc/57/96/00/569579600.db2.gz RSKMRSAHYNTSPG-UHFFFAOYSA-N 0 0 425.489 1.100 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1CCOCCO ZINC000010233647 569579662 /nfs/dbraw/zinc/57/96/62/569579662.db2.gz APPFHZYLMXTFBG-JXMROGBWSA-N 0 0 437.500 1.489 50 0 IDAARN O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000010251847 569579860 /nfs/dbraw/zinc/57/98/60/569579860.db2.gz ZTLUZXFMEUPFOW-CQSZACIVSA-N 0 0 432.415 1.845 50 0 IDAARN Cn1c2nc(NCc3ccco3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000010274103 569580378 /nfs/dbraw/zinc/58/03/78/569580378.db2.gz JCZACKVTYCAFSI-CYBMUJFWSA-N 0 0 445.863 1.722 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000010274062 569580381 /nfs/dbraw/zinc/58/03/81/569580381.db2.gz NFTRNLWPYWZKLY-QGZVFWFLSA-N 0 0 441.532 1.860 50 0 IDAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2N)cc1 ZINC000071772070 569580903 /nfs/dbraw/zinc/58/09/03/569580903.db2.gz VYYWXZVNQPCUEC-UHFFFAOYSA-N 0 0 449.533 1.957 50 0 IDAARN CCOC(=O)C[C@H](NC(=O)CSc1nnnn1-c1cccnc1)c1ccc(OC)cc1 ZINC000010337204 569581204 /nfs/dbraw/zinc/58/12/04/569581204.db2.gz HJJCFXXGJKSQKL-KRWDZBQOSA-N 0 0 442.501 1.969 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000010337448 569581274 /nfs/dbraw/zinc/58/12/74/569581274.db2.gz FWTZJXIYRLBAFS-UHFFFAOYSA-N 0 0 441.506 1.513 50 0 IDAARN CS(=O)(=O)Nc1cccc(CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000010356363 569581449 /nfs/dbraw/zinc/58/14/49/569581449.db2.gz IPGKBLCDCSOXQG-UHFFFAOYSA-N 0 0 430.408 1.913 50 0 IDAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000010375429 569581528 /nfs/dbraw/zinc/58/15/28/569581528.db2.gz NJPNUCMJQFVLFA-OALUTQOASA-N 0 0 445.541 1.297 50 0 IDAARN COc1ccc(Cn2c(SCC(=O)NC(N)=O)nc3ccccc3c2=O)cc1OC ZINC000010416055 569581998 /nfs/dbraw/zinc/58/19/98/569581998.db2.gz GZQATPNPBIXORB-UHFFFAOYSA-N 0 0 428.470 1.749 50 0 IDAARN CCN(CC(=O)Nc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010430676 569582015 /nfs/dbraw/zinc/58/20/15/569582015.db2.gz ZIHKCTNOIYBHLC-UHFFFAOYSA-N 0 0 437.456 1.361 50 0 IDAARN NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCCc2ccc(Cl)cc2)c1=O ZINC000010433620 569582072 /nfs/dbraw/zinc/58/20/72/569582072.db2.gz UFKDMIXCHRVREJ-UHFFFAOYSA-N 0 0 434.905 1.112 50 0 IDAARN O=S(=O)(CCNS(=O)(=O)c1cc(Br)ccc1F)Nc1ccccn1 ZINC000072314011 569584181 /nfs/dbraw/zinc/58/41/81/569584181.db2.gz KSJDWIVORVTCAI-UHFFFAOYSA-N 0 0 438.300 1.703 50 0 IDAARN CCOC(=O)c1sc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)nc1C ZINC000072325457 569584356 /nfs/dbraw/zinc/58/43/56/569584356.db2.gz OZZRMCNEIYOHLR-HNNXBMFYSA-N 0 0 442.497 2.218 50 0 biogenic IDAARN CCOC(=O)c1csc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)n1 ZINC000101413936 569584379 /nfs/dbraw/zinc/58/43/79/569584379.db2.gz DQNJWKHMAOLXIS-OAHLLOKOSA-N 0 0 428.470 1.910 50 0 IDAARN O=C(NCCNC(=O)c1ccc(N2CCCCC2)nn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000077099899 569585285 /nfs/dbraw/zinc/58/52/85/569585285.db2.gz HDJCGAOYMOSIPW-UHFFFAOYSA-N 0 0 436.516 1.975 50 0 IDAARN CCn1c(=O)n(CCOC)nc1C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000077147152 569585673 /nfs/dbraw/zinc/58/56/73/569585673.db2.gz WISMFVMLPIDRON-UHFFFAOYSA-N 0 0 438.326 1.888 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)NCCn2nc(C3CC3)n(-c3ccccc3)c2=O)cc1 ZINC000077198186 569586281 /nfs/dbraw/zinc/58/62/81/569586281.db2.gz DNJNNOBBNAQQLI-UHFFFAOYSA-N 0 0 442.497 1.677 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NC[C@H](c3ccsc3)N3CCOCC3)cc3c2N1CC3 ZINC000077200735 569586495 /nfs/dbraw/zinc/58/64/95/569586495.db2.gz XNVDRPMUXDGSED-LJQANCHMSA-N 0 0 447.582 1.935 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NC[C@@H](c3ccsc3)N3CCOCC3)cc3c2N1CC3 ZINC000077200736 569586527 /nfs/dbraw/zinc/58/65/27/569586527.db2.gz XNVDRPMUXDGSED-IBGZPJMESA-N 0 0 447.582 1.935 50 0 IDAARN Cc1ccsc1[C@@H](O)CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200841 569586566 /nfs/dbraw/zinc/58/65/66/569586566.db2.gz AYRSOFAAKXEPBY-INIZCTEOSA-N 0 0 430.573 1.998 50 0 IDAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(=O)NCC(=O)N3)c1C ZINC000021526246 569587151 /nfs/dbraw/zinc/58/71/51/569587151.db2.gz RMZUIVXGNFMZME-UHFFFAOYSA-N 0 0 430.486 1.245 50 0 IDAARN C=CCN1C2=C(C(=O)N(CC(=O)NCc3ccccn3)C2)[C@@H](c2ccc(F)cc2)NC1=O ZINC000035945347 569587760 /nfs/dbraw/zinc/58/77/60/569587760.db2.gz XKBNQZGCYGVAIS-OAQYLSRUSA-N 0 0 435.459 1.886 50 0 IDAARN O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCn1nnc2ccccc2c1=O ZINC000006084607 193878380 /nfs/dbraw/zinc/87/83/80/193878380.db2.gz QLLCMNXXMMQMIB-UHFFFAOYSA-N 0 0 425.489 1.950 50 0 IDAARN O=c1c(Cl)c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cnn1-c1nc2ccccc2[nH]1 ZINC000053517406 193928991 /nfs/dbraw/zinc/92/89/91/193928991.db2.gz YDTHAWUMFNPCSD-CYBMUJFWSA-N 0 0 448.936 1.071 50 0 IDAARN COc1ccc(OC)c(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)c(F)c2)c1 ZINC000055061194 193933928 /nfs/dbraw/zinc/93/39/28/193933928.db2.gz PVWKNYOOJNKKME-LJQANCHMSA-N 0 0 433.455 1.989 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(CCc2ccncc2)CC1 ZINC000096223291 193936803 /nfs/dbraw/zinc/93/68/03/193936803.db2.gz HIAIKYRZDCHHAF-NRFANRHFSA-N 0 0 435.528 1.322 50 0 IDAARN CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)cc2OC)n(C)c1=O ZINC000009156907 132227175 /nfs/dbraw/zinc/22/71/75/132227175.db2.gz GAIAWIUNEURNDV-UHFFFAOYSA-N 0 0 429.477 1.492 50 0 IDAARN O=C(Cn1cnc2c(nnn2-c2cccc(F)c2)c1=O)N1CCN(c2ccccc2)CC1 ZINC000009517773 132232574 /nfs/dbraw/zinc/23/25/74/132232574.db2.gz PCELZDWEOYQCMT-UHFFFAOYSA-N 0 0 433.447 1.465 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O ZINC000009519270 132233073 /nfs/dbraw/zinc/23/30/73/132233073.db2.gz YWOVTCLJBMOANZ-LLVKDONJSA-N 0 0 431.880 1.819 50 0 IDAARN COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 ZINC000000893878 132233422 /nfs/dbraw/zinc/23/34/22/132233422.db2.gz UUFIXJLLLOBMJI-UHFFFAOYSA-N 0 0 433.530 1.819 50 0 IDAARN Cc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000009569901 132235073 /nfs/dbraw/zinc/23/50/73/132235073.db2.gz KOECXJAUNSIKST-UHFFFAOYSA-N 0 0 435.521 1.781 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000009569979 132235208 /nfs/dbraw/zinc/23/52/08/132235208.db2.gz ZDJIXWFWCQPDHD-UHFFFAOYSA-N 0 0 427.448 1.986 50 0 IDAARN O=C(COc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009570010 132235233 /nfs/dbraw/zinc/23/52/33/132235233.db2.gz ZIBYJGOKWRGMAR-UHFFFAOYSA-N 0 0 439.484 1.612 50 0 IDAARN COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000009570246 132235802 /nfs/dbraw/zinc/23/58/02/132235802.db2.gz VNFPCUXVVAXNRZ-UHFFFAOYSA-N 0 0 447.557 1.515 50 0 IDAARN COc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000009570235 132235836 /nfs/dbraw/zinc/23/58/36/132235836.db2.gz YGMAMERDIQIGEE-UHFFFAOYSA-N 0 0 433.530 1.342 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cc(=O)c2ccccc2o1 ZINC000009570264 132235865 /nfs/dbraw/zinc/23/58/65/132235865.db2.gz ZEUOOHPRSMODFE-UHFFFAOYSA-N 0 0 441.509 1.675 50 0 IDAARN NS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000010021141 132242741 /nfs/dbraw/zinc/24/27/41/132242741.db2.gz BEXHRBYUCQMRPX-UHFFFAOYSA-N 0 0 437.905 1.493 50 0 IDAARN CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nn1 ZINC000010221051 132243881 /nfs/dbraw/zinc/24/38/81/132243881.db2.gz BUWZFBLQATULRM-UHFFFAOYSA-N 0 0 435.550 1.851 50 0 IDAARN O=C(CSc1nc(=O)n(CCCO)c2c1CCC2)N1CCN(c2ccccc2)CC1 ZINC000010256761 132244085 /nfs/dbraw/zinc/24/40/85/132244085.db2.gz RUNMEKQEZNOBFS-UHFFFAOYSA-N 0 0 428.558 1.555 50 0 IDAARN O=c1/c(=C/c2ccncc2)sc2n1CN(c1ccc(I)cc1)CN=2 ZINC000002260105 132250396 /nfs/dbraw/zinc/25/03/96/132250396.db2.gz RGWSNEUYCZVDFY-DHDCSXOGSA-N 0 0 448.289 1.793 50 0 IDAARN COc1cc(/C=c2\sc3n(c2=O)CN(c2cccc(F)c2)CN=3)cc(OC)c1OC ZINC000002260282 132250433 /nfs/dbraw/zinc/25/04/33/132250433.db2.gz ZCSLHMURGSBCHB-NVMNQCDNSA-N 0 0 429.473 1.958 50 0 IDAARN Cc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCN(c4ccccc4)CC2)c3=O)cc1 ZINC000004057615 132269238 /nfs/dbraw/zinc/26/92/38/132269238.db2.gz ZNJMSSQNDRGMKV-UHFFFAOYSA-N 0 0 443.511 1.694 50 0 IDAARN COc1cc(OC)cc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c1 ZINC000008594626 132284658 /nfs/dbraw/zinc/28/46/58/132284658.db2.gz XXVOETGSARWPFZ-UHFFFAOYSA-N 0 0 426.473 1.983 50 0 IDAARN COc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)NC1CC1 ZINC000008707568 132291123 /nfs/dbraw/zinc/29/11/23/132291123.db2.gz JJDNPHLFUJQTLY-UHFFFAOYSA-N 0 0 431.514 1.804 50 0 IDAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1cnccn1 ZINC000008708608 132291304 /nfs/dbraw/zinc/29/13/04/132291304.db2.gz SMVTWCPKXDFBKA-UHFFFAOYSA-N 0 0 431.518 1.740 50 0 IDAARN C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NC4=NCCS4)cn1c32 ZINC000008900694 132297354 /nfs/dbraw/zinc/29/73/54/132297354.db2.gz MWLRZKXESMZMGU-LBPRGKRZSA-N 0 0 445.520 1.678 50 0 IDAARN CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCCCO)cn3C2CC2)CC1 ZINC000009060681 132301568 /nfs/dbraw/zinc/30/15/68/132301568.db2.gz MFGUISKHYBFUMI-UHFFFAOYSA-N 0 0 430.480 1.256 50 0 IDAARN O=C(CN1CCN(c2ccc(O)cc2)CC1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009126376 132305396 /nfs/dbraw/zinc/30/53/96/132305396.db2.gz OOGXHPBNIYZPPR-HXUWFJFHSA-N 0 0 435.590 1.863 50 0 IDAARN Cc1cccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)CC2)c1C ZINC000009405410 132314936 /nfs/dbraw/zinc/31/49/36/132314936.db2.gz FCDGKLKHBHPRIN-UHFFFAOYSA-N 0 0 446.573 1.625 50 0 IDAARN COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(F)c(F)c1)CN=3)C(=O)N2 ZINC000009410214 132315945 /nfs/dbraw/zinc/31/59/45/132315945.db2.gz FEFMWCZBCSLLBY-MSUUIHNZSA-N 0 0 428.420 1.403 50 0 IDAARN O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)N1CCc2ccccc21 ZINC000009427184 132316857 /nfs/dbraw/zinc/31/68/57/132316857.db2.gz QKDQBDHANXBTAE-UHFFFAOYSA-N 0 0 442.545 1.226 50 0 IDAARN COCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000009433941 132317289 /nfs/dbraw/zinc/31/72/89/132317289.db2.gz XXVALQCLLLNFGZ-YKSBVNFPSA-N 0 0 434.496 1.649 50 0 IDAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(c2ccccn2)CC1 ZINC000009446872 132317908 /nfs/dbraw/zinc/31/79/08/132317908.db2.gz KQPBHEVGGXRURJ-INIZCTEOSA-N 0 0 446.529 1.259 50 0 IDAARN O=C(c1ccc2c(c1)[nH]c(=O)n(C[C@@H]1CCCO1)c2=O)N1CCN(c2ccccc2)CC1 ZINC000009529830 132320860 /nfs/dbraw/zinc/32/08/60/132320860.db2.gz WZHLAHONMORAFQ-IBGZPJMESA-N 0 0 434.496 1.831 50 0 IDAARN CCc1cnc2c(c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)n2C)c1OC ZINC000009571506 132321926 /nfs/dbraw/zinc/32/19/26/132321926.db2.gz UYRYWFBVYVTTHP-UHFFFAOYSA-N 0 0 437.500 1.015 50 0 IDAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000009672691 132325215 /nfs/dbraw/zinc/32/52/15/132325215.db2.gz FYFWLKADQSSMKN-OAQYLSRUSA-N 0 0 439.468 1.158 50 0 IDAARN CCN1C[C@H](CN(C)C(=O)CCNC2=NS(=O)(=O)c3ccccc32)Oc2ccccc21 ZINC000009933278 132331924 /nfs/dbraw/zinc/33/19/24/132331924.db2.gz 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COc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1OC ZINC000011796036 132339982 /nfs/dbraw/zinc/33/99/82/132339982.db2.gz ZRCNPRBKLCJIGP-UHFFFAOYSA-N 0 0 447.557 1.976 50 0 IDAARN Cc1cnc(C)c(N2CCN(C(=O)C[C@H]3C(=O)NCCN3CCc3ccccc3)CC2)n1 ZINC000011814416 132340515 /nfs/dbraw/zinc/34/05/15/132340515.db2.gz JUTDKLKZAMYFIW-NRFANRHFSA-N 0 0 436.560 1.175 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000013018243 132342635 /nfs/dbraw/zinc/34/26/35/132342635.db2.gz KBMZAEXSNAOSPV-DHZHZOJOSA-N 0 0 429.546 1.869 50 0 IDAARN COc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 ZINC000013036785 132342672 /nfs/dbraw/zinc/34/26/72/132342672.db2.gz BNDMOAJXGFVMOU-UHFFFAOYSA-N 0 0 445.483 1.947 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCN(c2ccccc2O)CC1 ZINC000013041038 132343441 /nfs/dbraw/zinc/34/34/41/132343441.db2.gz BRGGMKQAWFXRJK-UHFFFAOYSA-N 0 0 448.545 1.412 50 0 IDAARN Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n2ncnc2n1 ZINC000013085899 132344270 /nfs/dbraw/zinc/34/42/70/132344270.db2.gz OKBNAPUQVUXDID-UHFFFAOYSA-N 0 0 437.323 1.706 50 0 IDAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000013120620 132345197 /nfs/dbraw/zinc/34/51/97/132345197.db2.gz YZTFFBVSJPSIFD-DEOSSOPVSA-N 0 0 444.495 1.746 50 0 IDAARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)c(=O)n4C)C[C@H]2C)c1 ZINC000013147292 132345787 /nfs/dbraw/zinc/34/57/87/132345787.db2.gz OGOXZKKOBZKKES-MRXNPFEDSA-N 0 0 442.541 1.445 50 0 IDAARN CCN1c2nc3ccccn3c(=O)c2C[C@@]2(C(=O)NC(=O)N(C3CCCCC3)C2=O)[C@@H]1C ZINC000013556775 132349772 /nfs/dbraw/zinc/34/97/72/132349772.db2.gz TWTCQJURLIHJPQ-PSLXWICFSA-N 0 0 437.500 1.863 50 0 IDAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000013848529 132355255 /nfs/dbraw/zinc/35/52/55/132355255.db2.gz LLTOVXKTEWHFCC-UHFFFAOYSA-N 0 0 432.481 1.660 50 0 IDAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000012873017 518343264 /nfs/dbraw/zinc/34/32/64/518343264.db2.gz DUWSVUOOLWWGQG-GHCZAOPSSA-N 0 0 447.447 1.679 50 0 biogenic IDAARN CC(=O)c1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000020532523 518423363 /nfs/dbraw/zinc/42/33/63/518423363.db2.gz WDGOZVYWCMDQLL-NRFANRHFSA-N 0 0 435.546 1.705 50 0 IDAARN CC(C)N(C)Cc1nnnn1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012435677 519631052 /nfs/dbraw/zinc/63/10/52/519631052.db2.gz VPYQJJDBOQADOA-UHFFFAOYSA-N 0 0 425.459 1.881 50 0 IDAARN CC(=O)NCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000012922975 519676721 /nfs/dbraw/zinc/67/67/21/519676721.db2.gz BIJLEJYPQBMHHS-UHFFFAOYSA-N 0 0 437.543 1.335 50 0 IDAARN CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O ZINC000035377672 519702327 /nfs/dbraw/zinc/70/23/27/519702327.db2.gz DZLIPGQCFPRZMX-UHFFFAOYSA-N 0 0 440.500 1.768 50 0 IDAARN CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)CC1 ZINC000035325848 519706799 /nfs/dbraw/zinc/70/67/99/519706799.db2.gz PGNFEKRCBSDSLK-UHFFFAOYSA-N 0 0 442.589 1.906 50 0 IDAARN CC(C)CN(Cn1nc(CCC(N)=O)n(CC(C)C)c1=S)[C@H]1CCS(=O)(=O)C1 ZINC000022315572 519718942 /nfs/dbraw/zinc/71/89/42/519718942.db2.gz UPNBKCSYXQCOFI-HNNXBMFYSA-N 0 0 431.628 1.591 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 ZINC000012904298 519724526 /nfs/dbraw/zinc/72/45/26/519724526.db2.gz IZZCREJGEHCRAV-LBPRGKRZSA-N 0 0 432.458 1.013 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)CCOc2ccccc2F)cc1 ZINC000012913185 519731935 /nfs/dbraw/zinc/73/19/35/519731935.db2.gz VZDBDSOVIDOMKQ-CQSZACIVSA-N 0 0 437.493 1.988 50 0 IDAARN CC(=O)OC[C@H]1O[C@@H](Oc2cccc(C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000012655524 519756414 /nfs/dbraw/zinc/75/64/14/519756414.db2.gz TVVBZWZUAIZRAV-YMQHIKHWSA-N 0 0 438.429 1.457 50 0 biogenic IDAARN CCOCCCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(C)C2=O ZINC000021876182 519894799 /nfs/dbraw/zinc/89/47/99/519894799.db2.gz YJXDFAGFMBBVEA-QFIPXVFZSA-N 0 0 427.505 1.200 50 0 IDAARN CCOCCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(C)C2=O ZINC000021877127 519894972 /nfs/dbraw/zinc/89/49/72/519894972.db2.gz WVEHLERITCKLLY-HSZRJFAPSA-N 0 0 441.532 1.509 50 0 IDAARN CCN(C(=O)COC(=O)c1cc(C)oc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021980864 519917313 /nfs/dbraw/zinc/91/73/13/519917313.db2.gz XGBDSQSILIPIGD-UHFFFAOYSA-N 0 0 440.456 1.587 50 0 IDAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ncccn4)CC3)C2)c1 ZINC000035505943 520048394 /nfs/dbraw/zinc/04/83/94/520048394.db2.gz XNFWYVQOXOTJPA-QGZVFWFLSA-N 0 0 447.565 1.004 50 0 IDAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000035307998 520078407 /nfs/dbraw/zinc/07/84/07/520078407.db2.gz AFNCRNYCSKDYDS-UHFFFAOYSA-N 0 0 440.548 1.506 50 0 IDAARN CCOC(=O)C1=C(C)N(CC(=O)NC[C@@H]2CCCO2)c2ncnn2[C@@H]1c1ccccc1 ZINC000021350202 520474775 /nfs/dbraw/zinc/47/47/75/520474775.db2.gz ZICZXYJFEMWJJJ-FXAWDEMLSA-N 0 0 425.489 1.820 50 0 IDAARN CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 ZINC000012856855 520476175 /nfs/dbraw/zinc/47/61/75/520476175.db2.gz ILDHOERVCZVMAA-WBVHZDCISA-N 0 0 436.486 1.564 50 0 IDAARN CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 ZINC000012856862 520476974 /nfs/dbraw/zinc/47/69/74/520476974.db2.gz ILDHOERVCZVMAA-RDJZCZTQSA-N 0 0 436.486 1.564 50 0 IDAARN CCOC(=O)C1=C(COC(=O)C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)NC1 ZINC000012847298 520520081 /nfs/dbraw/zinc/52/00/81/520520081.db2.gz ANJUWEFFJWMWJN-UHFFFAOYSA-N 0 0 429.473 1.520 50 0 IDAARN CCCSCCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020511404 520564694 /nfs/dbraw/zinc/56/46/94/520564694.db2.gz GJYUJXHOAOQSOZ-KRWDZBQOSA-N 0 0 449.639 1.432 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1 ZINC000012792267 520566737 /nfs/dbraw/zinc/56/67/37/520566737.db2.gz OGVUDBHHQIWHGX-AWEZNQCLSA-N 0 0 441.484 1.690 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)CC1 ZINC000021164824 520569630 /nfs/dbraw/zinc/56/96/30/520569630.db2.gz 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CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1 ZINC000012922079 520809028 /nfs/dbraw/zinc/80/90/28/520809028.db2.gz NOFHREWBPPZNQI-HNNXBMFYSA-N 0 0 443.529 1.699 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCn3ccnc3)c2c1 ZINC000021325979 520810343 /nfs/dbraw/zinc/81/03/43/520810343.db2.gz WQWSRJWYBYJTAN-UHFFFAOYSA-N 0 0 431.518 1.575 50 0 IDAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000021911387 520821423 /nfs/dbraw/zinc/82/14/23/520821423.db2.gz ROGKEBGHGKBRMF-HNNXBMFYSA-N 0 0 429.502 1.871 50 0 IDAARN CCCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000012444911 520869740 /nfs/dbraw/zinc/86/97/40/520869740.db2.gz ADBMBHDZISKHCR-UHFFFAOYSA-N 0 0 447.561 1.537 50 0 IDAARN CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n1 ZINC000021311053 520912116 /nfs/dbraw/zinc/91/21/16/520912116.db2.gz QJZDPNUCSFVAEN-UHFFFAOYSA-N 0 0 429.545 1.935 50 0 IDAARN CCOC(=O)N1CCC(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000035388662 520924768 /nfs/dbraw/zinc/92/47/68/520924768.db2.gz SHHWORREJAFQGS-UHFFFAOYSA-N 0 0 438.550 1.572 50 0 IDAARN CCOc1ccc(CCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OCC ZINC000012798603 520949496 /nfs/dbraw/zinc/94/94/96/520949496.db2.gz HECCGYJNPJQHMZ-UHFFFAOYSA-N 0 0 432.498 1.987 50 0 IDAARN CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 ZINC000012586546 520953283 /nfs/dbraw/zinc/95/32/83/520953283.db2.gz DMKIKPUXDNNMQX-UHFFFAOYSA-N 0 0 440.566 1.738 50 0 IDAARN CC1CCN(C(=O)CCNC(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000012391883 520974739 /nfs/dbraw/zinc/97/47/39/520974739.db2.gz JDWDNKLYWJDISI-UHFFFAOYSA-N 0 0 437.504 1.557 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)N2CCN(C)CC2)CC1 ZINC000035428820 521031290 /nfs/dbraw/zinc/03/12/90/521031290.db2.gz QSKORVUBEFBUOI-UHFFFAOYSA-N 0 0 448.589 1.160 50 0 IDAARN CCOc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021869946 521034626 /nfs/dbraw/zinc/03/46/26/521034626.db2.gz NRZROIASZGKSJH-NRFANRHFSA-N 0 0 437.562 1.901 50 0 IDAARN CCOc1ccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)cc1 ZINC000021029739 521056653 /nfs/dbraw/zinc/05/66/53/521056653.db2.gz RXYJONXWTFQRGN-UHFFFAOYSA-N 0 0 436.534 1.948 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 ZINC000034913522 521110917 /nfs/dbraw/zinc/11/09/17/521110917.db2.gz SLRRFABZUSIOOD-JFIYKMOQSA-N 0 0 438.546 1.900 50 0 IDAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1nnc(C)s1 ZINC000017271476 521287477 /nfs/dbraw/zinc/28/74/77/521287477.db2.gz GKJGKXMWZVQINS-UHFFFAOYSA-N 0 0 434.547 1.866 50 0 IDAARN CCCCn1c(COC(=O)CNC(=O)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 ZINC000020821213 521364015 /nfs/dbraw/zinc/36/40/15/521364015.db2.gz BDULQDNIZPJTHY-UHFFFAOYSA-N 0 0 444.513 1.957 50 0 IDAARN CCCCn1c(N)c(N(CC)C(=O)CCCn2c3ccccc3oc2=O)c(=O)[nH]c1=O ZINC000012897415 521365742 /nfs/dbraw/zinc/36/57/42/521365742.db2.gz QYIQHUUUYXWNBT-UHFFFAOYSA-N 0 0 429.477 1.660 50 0 IDAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)C2=COCCO2)c(=O)[nH]c1=O ZINC000012882618 521371534 /nfs/dbraw/zinc/37/15/34/521371534.db2.gz HTFNACBGQLJRAP-UHFFFAOYSA-N 0 0 430.461 1.349 50 0 IDAARN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCCN3CCOCC3)s2)on1 ZINC000020994819 521425408 /nfs/dbraw/zinc/42/54/08/521425408.db2.gz RBOZPSLUTCBLSS-UHFFFAOYSA-N 0 0 429.520 1.580 50 0 IDAARN CCCN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012893758 521436126 /nfs/dbraw/zinc/43/61/26/521436126.db2.gz XDGVZGLPGLIKBG-SFHVURJKSA-N 0 0 448.479 1.692 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2Cl)cn1C ZINC000021882120 521445221 /nfs/dbraw/zinc/44/52/21/521445221.db2.gz UNYLONKKHFTMIW-UHFFFAOYSA-N 0 0 427.910 1.792 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3ccccc3C2)cn1C ZINC000035376161 521446040 /nfs/dbraw/zinc/44/60/40/521446040.db2.gz YLAAOXASRUJMEK-LJQANCHMSA-N 0 0 445.541 1.940 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2)cn1C ZINC000021882121 521446158 /nfs/dbraw/zinc/44/61/58/521446158.db2.gz WEFXRSZVRDECFL-UHFFFAOYSA-N 0 0 427.910 1.792 50 0 IDAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCOC)N(c1ccc(C)cc1C)C2=O ZINC000021879441 521454201 /nfs/dbraw/zinc/45/42/01/521454201.db2.gz DHLZYKWVUDDHFF-QFIPXVFZSA-N 0 0 428.489 1.858 50 0 IDAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCCOC)N(c1ccc(OC)cc1)C2=O ZINC000021879348 521454714 /nfs/dbraw/zinc/45/47/14/521454714.db2.gz UMEFVGHKDAZGPI-QFIPXVFZSA-N 0 0 444.488 1.640 50 0 IDAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 ZINC000012889997 521455721 /nfs/dbraw/zinc/45/57/21/521455721.db2.gz XGECQBKWFSRIPZ-UHFFFAOYSA-N 0 0 430.486 1.502 50 0 IDAARN CCOC(=O)c1ccc(-n2nnnc2[C@@](C)(CN2C(=O)c3ccccc3C2=O)NC)cc1 ZINC000012411120 521462211 /nfs/dbraw/zinc/46/22/11/521462211.db2.gz OKGNETCPZUNFFS-JOCHJYFZSA-N 0 0 434.456 1.570 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)cc1 ZINC000012348252 521497975 /nfs/dbraw/zinc/49/79/75/521497975.db2.gz XANHJJPVRNMXIR-UHFFFAOYSA-N 0 0 439.497 1.850 50 0 IDAARN CCN1C(=O)c2cc(C(=O)NCCCOC(C)C)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877509 521536061 /nfs/dbraw/zinc/53/60/61/521536061.db2.gz GDDFCMUCGCIAKR-QFIPXVFZSA-N 0 0 433.553 1.721 50 0 IDAARN CCOc1ccccc1NC(=O)Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O ZINC000035425626 521536017 /nfs/dbraw/zinc/53/60/17/521536017.db2.gz UOGRFPKRHZUWOI-UHFFFAOYSA-N 0 0 448.483 1.918 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(ncc(C)c2OCC)n(C)c1=O ZINC000015880401 521551473 /nfs/dbraw/zinc/55/14/73/521551473.db2.gz ZUOYAZBFVRFTSI-UHFFFAOYSA-N 0 0 440.456 1.618 50 0 IDAARN CCOC(=O)c1noc2ncn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)c12 ZINC000021648325 521606804 /nfs/dbraw/zinc/60/68/04/521606804.db2.gz OSOHSLHWDUKYDW-UHFFFAOYSA-N 0 0 429.408 1.049 50 0 IDAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2C)[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000021870075 521659923 /nfs/dbraw/zinc/65/99/23/521659923.db2.gz UYEKWKHHHQVJHE-HXUWFJFHSA-N 0 0 425.526 1.950 50 0 IDAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(F)cc2)[C@@](C)(C(=O)NCc2ccccc2)C1 ZINC000021528693 521660104 /nfs/dbraw/zinc/66/01/04/521660104.db2.gz QAEHBRIDIQHELE-OAQYLSRUSA-N 0 0 433.505 1.899 50 0 IDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc2c(c1)OCO2 ZINC000020581752 521662976 /nfs/dbraw/zinc/66/29/76/521662976.db2.gz UVGYEWWYVCKHFF-UHFFFAOYSA-N 0 0 436.486 1.089 50 0 biogenic IDAARN CCN1CCN(C(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCCCC4)ccc3N2C(C)=O)CC1 ZINC000021022665 521667563 /nfs/dbraw/zinc/66/75/63/521667563.db2.gz LZPJFBKNOMXLIT-NRFANRHFSA-N 0 0 448.589 1.303 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000012172851 521668285 /nfs/dbraw/zinc/66/82/85/521668285.db2.gz MBBJPKFSIGNKCO-FQEVSTJZSA-N 0 0 444.557 1.311 50 0 IDAARN CCS(=O)(=O)Nc1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c(C(=O)[O-])c1 ZINC000035397750 521686915 /nfs/dbraw/zinc/68/69/15/521686915.db2.gz AYBJYIFNBHCRIN-UHFFFAOYSA-N 0 0 426.539 1.480 50 0 IDAARN CCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000022851481 521731657 /nfs/dbraw/zinc/73/16/57/521731657.db2.gz NEWQTUBLFXCYQT-LJQANCHMSA-N 0 0 442.491 1.670 50 0 IDAARN CCNC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000020758582 521747382 /nfs/dbraw/zinc/74/73/82/521747382.db2.gz SGJMANOHDSNZJZ-GOSISDBHSA-N 0 0 436.472 1.727 50 0 biogenic IDAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)N3CCC4(CC3)OCCO4)C2)c1C ZINC000035422153 521749155 /nfs/dbraw/zinc/74/91/55/521749155.db2.gz KMPWJCRZRPYAOS-INIZCTEOSA-N 0 0 433.505 1.636 50 0 IDAARN COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CCN(C(=O)[C@H]1CCCO1)CC2 ZINC000012099643 521777105 /nfs/dbraw/zinc/77/71/05/521777105.db2.gz MMJPGBIOUYWYON-QGZVFWFLSA-N 0 0 446.525 1.882 50 0 IDAARN COC(=O)c1c2c(sc1NC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C[C@@H](C)CC2 ZINC000012525299 521784570 /nfs/dbraw/zinc/78/45/70/521784570.db2.gz CSZBCGPSRYVQKE-JTQLQIEISA-N 0 0 445.501 1.045 50 0 IDAARN CNC(=O)c1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000245312623 521833085 /nfs/dbraw/zinc/83/30/85/521833085.db2.gz WOBLPFFOUXIMJB-ZMSDIMECSA-N 0 0 435.461 1.524 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c[nH]1 ZINC000020559009 521906572 /nfs/dbraw/zinc/90/65/72/521906572.db2.gz INYNUKCQWPHSGT-UHFFFAOYSA-N 0 0 427.910 1.840 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](CO)C(C)C ZINC000012881801 521966928 /nfs/dbraw/zinc/96/69/28/521966928.db2.gz GOIWTMSFBJMTAQ-HFIJNKJRSA-N 0 0 433.574 1.920 50 0 biogenic IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000035598256 521973376 /nfs/dbraw/zinc/97/33/76/521973376.db2.gz LCVGAQXXPZOEKG-UHFFFAOYSA-N 0 0 427.530 1.771 50 0 IDAARN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c1 ZINC000012525871 521990381 /nfs/dbraw/zinc/99/03/81/521990381.db2.gz PEMWJSSZPYXJRQ-UHFFFAOYSA-N 0 0 428.488 1.963 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(C)C(=O)[C@@H](CC(=O)Nc1nccs1)S2 ZINC000021020924 521990493 /nfs/dbraw/zinc/99/04/93/521990493.db2.gz DFYWPDZNZADMOQ-CYBMUJFWSA-N 0 0 426.545 1.859 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)[C@H]1CCCCN21 ZINC000035445388 521991865 /nfs/dbraw/zinc/99/18/65/521991865.db2.gz KUBPPGIEMFJOHS-GOSISDBHSA-N 0 0 434.562 1.655 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000012563764 521998758 /nfs/dbraw/zinc/99/87/58/521998758.db2.gz XYLHJPKKBFCPHW-UHFFFAOYSA-N 0 0 430.438 1.839 50 0 IDAARN COc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OCC(N)=O ZINC000012780049 522058352 /nfs/dbraw/zinc/05/83/52/522058352.db2.gz PFQPKLHDQCOKNP-UHFFFAOYSA-N 0 0 430.848 1.721 50 0 IDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H]2CC2(Cl)Cl)c(=O)[nH]c1=O ZINC000023681907 522071286 /nfs/dbraw/zinc/07/12/86/522071286.db2.gz ZBASVHYDARRWLZ-LBPRGKRZSA-N 0 0 427.288 1.492 50 0 IDAARN COc1cc(C(=O)NCCC(=O)NC[C@@H]2COc3ccccc3O2)cc(OC)c1OC ZINC000020664492 522106388 /nfs/dbraw/zinc/10/63/88/522106388.db2.gz YKXATGAJNIPVDM-OAHLLOKOSA-N 0 0 430.457 1.789 50 0 IDAARN COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000023223269 522177721 /nfs/dbraw/zinc/17/77/21/522177721.db2.gz XDKUQCXEOZLQPQ-INIZCTEOSA-N 0 0 429.425 1.776 50 0 IDAARN COC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 ZINC000011905035 522242071 /nfs/dbraw/zinc/24/20/71/522242071.db2.gz ZOIRXTPTOBTKRZ-GFCCVEGCSA-N 0 0 438.483 1.587 50 0 IDAARN CN(C)c1nc(N)nc(CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)n1 ZINC000022849618 522327860 /nfs/dbraw/zinc/32/78/60/522327860.db2.gz BWHXPMJLPBWAAB-UHFFFAOYSA-N 0 0 429.916 1.541 50 0 IDAARN COc1cc(CCC(=O)Nc2ccc(-n3c(=O)n(C)n(C)c3=O)cc2)cc(OC)c1OC ZINC000041107756 522328120 /nfs/dbraw/zinc/32/81/20/522328120.db2.gz RXIDSWKFAIBVSM-UHFFFAOYSA-N 0 0 442.472 1.472 50 0 IDAARN COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccncc2C)cc(OC)c1 ZINC000012306818 522386980 /nfs/dbraw/zinc/38/69/80/522386980.db2.gz AGWDJQMPGZGLAG-NRFANRHFSA-N 0 0 426.517 1.756 50 0 IDAARN CN(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000035393020 522427233 /nfs/dbraw/zinc/42/72/33/522427233.db2.gz FXZOWTQJBZINKW-QGZVFWFLSA-N 0 0 440.525 1.575 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O ZINC000022224459 522505804 /nfs/dbraw/zinc/50/58/04/522505804.db2.gz UJXPKRQDVWSEEB-NRFANRHFSA-N 0 0 448.401 1.968 50 0 IDAARN CCc1nc2onc(-c3ccc(F)cc3)c2c(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000035513776 522534011 /nfs/dbraw/zinc/53/40/11/522534011.db2.gz MJCHTEFMMBDGED-CYBMUJFWSA-N 0 0 434.449 1.668 50 0 IDAARN COC(CNC(=O)c1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1O)OC ZINC000020753984 522535252 /nfs/dbraw/zinc/53/52/52/522535252.db2.gz ZAFNABALMWPULH-UHFFFAOYSA-N 0 0 437.518 1.297 50 0 IDAARN COC[C@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000012896058 522600072 /nfs/dbraw/zinc/60/00/72/522600072.db2.gz IUXRREKJLJVXGE-SFHVURJKSA-N 0 0 439.578 1.376 50 0 IDAARN CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)NC(=O)CCC2=O ZINC000033276696 522704096 /nfs/dbraw/zinc/70/40/96/522704096.db2.gz CBDVMSLEGMDFLR-UHFFFAOYSA-N 0 0 432.502 1.814 50 0 IDAARN COc1cc(OC)c(N2C[C@@H](C(=O)O[C@@H](C)C(=O)N3CCOCC3)CC2=O)cc1Cl ZINC000012777937 522797480 /nfs/dbraw/zinc/79/74/80/522797480.db2.gz SMZZKZIDIZJVDH-STQMWFEESA-N 0 0 440.880 1.501 50 0 IDAARN CN(CCOc1ccccc1F)C(=O)CCn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000012764589 522917894 /nfs/dbraw/zinc/91/78/94/522917894.db2.gz YGHWBYTZZSESNA-UHFFFAOYSA-N 0 0 437.449 1.309 50 0 IDAARN COc1cc([C@@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(Br)c1OC ZINC000020730446 522928897 /nfs/dbraw/zinc/92/88/97/522928897.db2.gz DULXBYUXHIXAAK-NSHDSACASA-N 0 0 425.239 1.088 50 0 IDAARN COc1cc2[nH]c3c(ncn(CC(=O)N4CCN(c5ncccn5)CC4)c3=O)c2cc1OC ZINC000035423835 522986993 /nfs/dbraw/zinc/98/69/93/522986993.db2.gz IBNDKHXQCBACBX-UHFFFAOYSA-N 0 0 449.471 1.034 50 0 IDAARN COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3cccnc3)C(=O)[C@@H]1C2 ZINC000012664575 523035089 /nfs/dbraw/zinc/03/50/89/523035089.db2.gz VMSJUMAPYHPFCO-SFHVURJKSA-N 0 0 438.484 1.884 50 0 biogenic IDAARN COc1ccc(-c2cc(C(=O)NC3CCCC3)[nH]n2)cc1S(=O)(=O)N1CCOCC1 ZINC000015860849 523094244 /nfs/dbraw/zinc/09/42/44/523094244.db2.gz LEBCUGAQNNFXPA-UHFFFAOYSA-N 0 0 434.518 1.779 50 0 IDAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NCc2ccc(C)cc2)c1=O ZINC000033140927 523108559 /nfs/dbraw/zinc/10/85/59/523108559.db2.gz NWRAAMNBJRRMST-UHFFFAOYSA-N 0 0 427.530 1.865 50 0 IDAARN CCn1c(=O)cc(C(=O)Nc2cc(Cl)ccc2OC)c2c(=O)n(CC)c(=O)n(C)c21 ZINC000035422306 523109258 /nfs/dbraw/zinc/10/92/58/523109258.db2.gz SLMCUQXMAVFEJH-UHFFFAOYSA-N 0 0 432.864 1.816 50 0 IDAARN CCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(OC)cc2)c1=O ZINC000033140916 523109616 /nfs/dbraw/zinc/10/96/16/523109616.db2.gz XEWDVEIKUHUEMD-UHFFFAOYSA-N 0 0 429.502 1.887 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000020725478 523118385 /nfs/dbraw/zinc/11/83/85/523118385.db2.gz FTOXAXKTNVVVJE-LPHOPBHVSA-N 0 0 448.451 1.709 50 0 IDAARN CN(C[C@H]1COCCO1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000012479569 523148378 /nfs/dbraw/zinc/14/83/78/523148378.db2.gz OVCFBFYKHQBYSL-INIZCTEOSA-N 0 0 446.953 1.630 50 0 IDAARN CN(Cc1c(F)cccc1Cl)C(=O)CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1 ZINC000021704405 523153427 /nfs/dbraw/zinc/15/34/27/523153427.db2.gz VQJJOSVOXAOVAH-UHFFFAOYSA-N 0 0 439.856 1.511 50 0 IDAARN CN(Cc1c(F)cccc1Cl)C(=O)CN1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000012797466 523155201 /nfs/dbraw/zinc/15/52/01/523155201.db2.gz NYAMDIWPLAXUQQ-AWEZNQCLSA-N 0 0 445.944 1.016 50 0 IDAARN COCCCN(C(=O)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012690649 523193924 /nfs/dbraw/zinc/19/39/24/523193924.db2.gz STQXEPFFQASRKZ-UHFFFAOYSA-N 0 0 440.475 1.918 50 0 IDAARN COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000012657638 523196703 /nfs/dbraw/zinc/19/67/03/523196703.db2.gz ADMJLYBDWQKZEB-SJORKVTESA-N 0 0 447.488 1.134 50 0 biogenic IDAARN CCn1c2cc(NC(=O)CN3CCOCC3)c(N3CCCCC3)cc2n(CC)c(=O)c1=O ZINC000021777351 523256213 /nfs/dbraw/zinc/25/62/13/523256213.db2.gz AJZWIZASCVXLSC-UHFFFAOYSA-N 0 0 443.548 1.464 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cnccn4)CC3)cc2sc1=O ZINC000021707387 523269553 /nfs/dbraw/zinc/26/95/53/523269553.db2.gz XSCQKYJOXYEEPV-UHFFFAOYSA-N 0 0 433.515 1.020 50 0 IDAARN COCCCNC(=O)N1CCN(Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)CC1 ZINC000033275806 523333078 /nfs/dbraw/zinc/33/30/78/523333078.db2.gz JCZYMYVWTRQEKR-UHFFFAOYSA-N 0 0 430.553 1.575 50 0 IDAARN CCn1cc(C(=O)NCCC(=O)NCCc2ccco2)c(=O)c2cc3c(cc21)OCO3 ZINC000012892206 523335992 /nfs/dbraw/zinc/33/59/92/523335992.db2.gz FZBWFBZZJGMJOL-UHFFFAOYSA-N 0 0 425.441 1.822 50 0 biogenic IDAARN COc1ccc(-n2ccn3c(CCC(=O)NCc4ccc5c(c4)OCO5)nnc3c2=O)cc1 ZINC000021540511 523337349 /nfs/dbraw/zinc/33/73/49/523337349.db2.gz MILXHBFFFOTTFK-UHFFFAOYSA-N 0 0 447.451 1.867 50 0 IDAARN COCCCNC(=O)c1nn(C)c2c1CN(C(=O)c1ccc(N3CCCC3)cc1)CC2 ZINC000020601023 523370697 /nfs/dbraw/zinc/37/06/97/523370697.db2.gz DQOQALGHABNNNM-UHFFFAOYSA-N 0 0 425.533 1.985 50 0 IDAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC000012889751 523450908 /nfs/dbraw/zinc/45/09/08/523450908.db2.gz MVXWMRJNABVTPR-GQIGUUNPSA-N 0 0 427.567 1.196 50 0 biogenic IDAARN COCCCn1c(C(=O)N2CCC(C(=O)OC)CC2)cc2c1nc1ccccn1c2=O ZINC000012421602 523499655 /nfs/dbraw/zinc/49/96/55/523499655.db2.gz JGAUFVJYISKOLN-UHFFFAOYSA-N 0 0 426.473 1.711 50 0 IDAARN COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OC ZINC000023805896 523586537 /nfs/dbraw/zinc/58/65/37/523586537.db2.gz SRSKQGXPWLGTJO-QFIPXVFZSA-N 0 0 426.425 1.897 50 0 IDAARN CCn1nc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c2ccccc2c1=O ZINC000012639545 523614904 /nfs/dbraw/zinc/61/49/04/523614904.db2.gz HKPQRYIEZPSMNE-UHFFFAOYSA-N 0 0 440.481 1.861 50 0 IDAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000012877966 523631114 /nfs/dbraw/zinc/63/11/14/523631114.db2.gz ZSWNWNNPTANCAL-JOCHJYFZSA-N 0 0 430.505 1.923 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NC[C@H]1CCCO1 ZINC000035374119 523670264 /nfs/dbraw/zinc/67/02/64/523670264.db2.gz WWKDEHZDZYUOBI-QGZVFWFLSA-N 0 0 443.479 1.171 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)NCc1ccco1 ZINC000035373891 523671423 /nfs/dbraw/zinc/67/14/23/523671423.db2.gz MFWMPYWPWCTLGM-UHFFFAOYSA-N 0 0 435.484 1.840 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCCc3cccs3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021874442 523730303 /nfs/dbraw/zinc/73/03/03/523730303.db2.gz GGGRNNGURSXHLY-OAQYLSRUSA-N 0 0 429.546 1.820 50 0 IDAARN CN1C2=C(C(=O)N(CC(=O)NCc3ccccn3)C2)[C@@H](c2ccccc2Cl)NC1=O ZINC000035965146 523738499 /nfs/dbraw/zinc/73/84/99/523738499.db2.gz RTDMPXQGGIKEKN-LJQANCHMSA-N 0 0 425.876 1.844 50 0 IDAARN CN1C2=C(C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000035326651 523739357 /nfs/dbraw/zinc/73/93/57/523739357.db2.gz LCQFTVGMUDBDJQ-KRWDZBQOSA-N 0 0 432.889 1.984 50 0 IDAARN CCc1cc(CC)n(-c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2CCOC)n1 ZINC000012232174 523786182 /nfs/dbraw/zinc/78/61/82/523786182.db2.gz PRKXGDUEMMEZLF-UHFFFAOYSA-N 0 0 436.516 1.902 50 0 IDAARN CN(C(=O)CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000033548605 523801786 /nfs/dbraw/zinc/80/17/86/523801786.db2.gz HWDWJIAVOHSXBA-MKRLJBPISA-N 0 0 426.491 1.898 50 0 IDAARN COCCN1C[C@@H](C(=O)N2CC(=O)N(c3ccc(OC)cc3)C3(CCCC3)C2)CC1=O ZINC000012191411 523879167 /nfs/dbraw/zinc/87/91/67/523879167.db2.gz ZPHNCFHJQBFLPK-KRWDZBQOSA-N 0 0 429.517 1.678 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000035681039 523914566 /nfs/dbraw/zinc/91/45/66/523914566.db2.gz MTGRNMPAOTYINS-UHFFFAOYSA-N 0 0 436.534 1.889 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1OC ZINC000020744275 523953950 /nfs/dbraw/zinc/95/39/50/523953950.db2.gz LUGJSELAFGXHOK-UHFFFAOYSA-N 0 0 447.513 1.541 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1 ZINC000020744287 523954310 /nfs/dbraw/zinc/95/43/10/523954310.db2.gz XISBZGPXGHBNEO-UHFFFAOYSA-N 0 0 431.514 1.841 50 0 IDAARN COc1ccc(CCNC(=O)CN2CCCN(Cc3ccccc3)S2(=O)=O)cc1OC ZINC000035428464 523957782 /nfs/dbraw/zinc/95/77/82/523957782.db2.gz OWQAOHXHHFPANC-UHFFFAOYSA-N 0 0 447.557 1.815 50 0 biogenic IDAARN COCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)ccc1OC ZINC000032889270 523959932 /nfs/dbraw/zinc/95/99/32/523959932.db2.gz BQVIKIGEHUGAAM-CYBMUJFWSA-N 0 0 436.486 1.840 50 0 IDAARN COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(F)cc2)cc1OC ZINC000012234319 523972800 /nfs/dbraw/zinc/97/28/00/523972800.db2.gz XKSKSTZNNVCVJE-UHFFFAOYSA-N 0 0 439.447 1.919 50 0 IDAARN COCCOC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 ZINC000012437794 523975570 /nfs/dbraw/zinc/97/55/70/523975570.db2.gz URCQNEFQFSHYKF-FQEVSTJZSA-N 0 0 441.594 1.873 50 0 IDAARN CC[C@H](C)NC(=O)Cn1cnc2nc(N3CCC[C@@H](C(=O)NC(C)C)C3)sc2c1=O ZINC000033141452 523976682 /nfs/dbraw/zinc/97/66/82/523976682.db2.gz LVBWXAZOVIHPIN-UONOGXRCSA-N 0 0 434.566 1.509 50 0 IDAARN CN(C)C(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012694223 524023382 /nfs/dbraw/zinc/02/33/82/524023382.db2.gz LHWNWKSEHVUMCT-UHFFFAOYSA-N 0 0 448.520 1.473 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cn(C)nc2C)c(C)c1C ZINC000012760343 524034757 /nfs/dbraw/zinc/03/47/57/524034757.db2.gz WFVQXIRDNMXOIQ-HXUWFJFHSA-N 0 0 427.549 1.703 50 0 IDAARN COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000020529432 524047728 /nfs/dbraw/zinc/04/77/28/524047728.db2.gz RCTZQFJXIZVNGS-HNNXBMFYSA-N 0 0 445.541 1.978 50 0 IDAARN CCc1ccc2c(c1)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968081 524059824 /nfs/dbraw/zinc/05/98/24/524059824.db2.gz QYGAWXRFFNIKCQ-ZHBILRMLSA-N 0 0 446.507 1.088 50 0 biogenic IDAARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000012914877 524064029 /nfs/dbraw/zinc/06/40/29/524064029.db2.gz UOQINDWHEVREES-NSHDSACASA-N 0 0 426.878 1.858 50 0 IDAARN COc1ccc(CNC(=O)c2ccc(OC)c(CN3CC(=O)N4CCC[C@@H]4C3=O)c2)cc1 ZINC000021527344 524066688 /nfs/dbraw/zinc/06/66/88/524066688.db2.gz ILOAOQWDHHCTBW-HXUWFJFHSA-N 0 0 437.496 1.967 50 0 IDAARN Cc1ccc(C)c(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021528792 524119808 /nfs/dbraw/zinc/11/98/08/524119808.db2.gz CXVDVVIFCXVOHF-JOCHJYFZSA-N 0 0 429.542 1.987 50 0 IDAARN C[C@@H](C(=O)N1CCNC1=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012799812 524128575 /nfs/dbraw/zinc/12/85/75/524128575.db2.gz OSQQNUBCRASNPB-NSHDSACASA-N 0 0 435.333 1.240 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)c1 ZINC000035503995 524187932 /nfs/dbraw/zinc/18/79/32/524187932.db2.gz ILONUJSQESWQNT-UHFFFAOYSA-N 0 0 444.557 1.636 50 0 IDAARN Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000021817315 524265873 /nfs/dbraw/zinc/26/58/73/524265873.db2.gz DDNWHYMFIBVHSX-LJQANCHMSA-N 0 0 427.526 1.942 50 0 IDAARN COc1ccc(Cn2nnnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000012616924 524268348 /nfs/dbraw/zinc/26/83/48/524268348.db2.gz VJFUTMVTLDMZHC-UHFFFAOYSA-N 0 0 445.505 1.108 50 0 IDAARN COc1ccc(Cn2nnnc2Sc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 ZINC000012558329 524268944 /nfs/dbraw/zinc/26/89/44/524268944.db2.gz MEQUIKIOALDSKK-UHFFFAOYSA-N 0 0 448.530 1.297 50 0 IDAARN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000023029556 524290293 /nfs/dbraw/zinc/29/02/93/524290293.db2.gz OCFRLCJNSGSLRJ-NSHDSACASA-N 0 0 428.561 1.242 50 0 IDAARN COc1ccccc1-n1c(C)nnc1SCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000012555634 524299379 /nfs/dbraw/zinc/29/93/79/524299379.db2.gz GNGQRIAUVUICIG-UHFFFAOYSA-N 0 0 444.561 1.099 50 0 IDAARN Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012875053 524318124 /nfs/dbraw/zinc/31/81/24/524318124.db2.gz HIANQMRXMBJCIV-AVRDEDQJSA-N 0 0 436.472 1.486 50 0 IDAARN COc1ccccc1C(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012753485 524347984 /nfs/dbraw/zinc/34/79/84/524347984.db2.gz KIOACZMCHQIQHG-UHFFFAOYSA-N 0 0 445.541 1.657 50 0 IDAARN Cc1cccc(CCNC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)c1 ZINC000015936365 524355625 /nfs/dbraw/zinc/35/56/25/524355625.db2.gz SLJGBRQAIJOFAV-UHFFFAOYSA-N 0 0 441.351 1.762 50 0 IDAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000022313748 524358164 /nfs/dbraw/zinc/35/81/64/524358164.db2.gz LRPBJOVMLPVKJP-SFHVURJKSA-N 0 0 448.614 1.913 50 0 IDAARN Cc1cc(C)cc(-n2nnnc2SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1 ZINC000012603497 524358391 /nfs/dbraw/zinc/35/83/91/524358391.db2.gz DDZDDRFDXMDVTK-UHFFFAOYSA-N 0 0 426.506 1.209 50 0 IDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCCc1ccccc1 ZINC000011906148 524384574 /nfs/dbraw/zinc/38/45/74/524384574.db2.gz QCFRRLXSYBXUGI-UHFFFAOYSA-N 0 0 438.527 1.673 50 0 IDAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)C2=O)cc1 ZINC000012736587 524385872 /nfs/dbraw/zinc/38/58/72/524385872.db2.gz VZWCWKBTUQLAPZ-ZDUSSCGKSA-N 0 0 436.424 1.754 50 0 IDAARN COc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1OC ZINC000016047669 524449378 /nfs/dbraw/zinc/44/93/78/524449378.db2.gz GSMXMEBBOIEZFG-OAHLLOKOSA-N 0 0 442.472 1.570 50 0 IDAARN COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCCN1CCc2ccccc21 ZINC000012308066 524453226 /nfs/dbraw/zinc/45/32/26/524453226.db2.gz LECPITUKZJIEDD-QFIPXVFZSA-N 0 0 436.556 1.955 50 0 IDAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2 ZINC000035452759 524460950 /nfs/dbraw/zinc/46/09/50/524460950.db2.gz VNYQTCCLKPLVIH-CQSZACIVSA-N 0 0 447.513 1.660 50 0 IDAARN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1OC ZINC000023107313 524461323 /nfs/dbraw/zinc/46/13/23/524461323.db2.gz AKBPKUZKBHIBFV-GOSISDBHSA-N 0 0 431.464 1.971 50 0 IDAARN COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C ZINC000013567094 524465052 /nfs/dbraw/zinc/46/50/52/524465052.db2.gz OBXUMSDKUCCCSO-UHFFFAOYSA-N 0 0 434.514 1.720 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1OC ZINC000015822291 524490937 /nfs/dbraw/zinc/49/09/37/524490937.db2.gz FNELRIMXDNHUJH-UHFFFAOYSA-N 0 0 449.485 1.602 50 0 IDAARN Cc1cc(C)n(-c2nc3c(c(=O)n(CCN4CCOCC4)c(=O)n3C)n2CCC(C)C)n1 ZINC000022768302 524499126 /nfs/dbraw/zinc/49/91/26/524499126.db2.gz JGWOTZNSMHEBDU-UHFFFAOYSA-N 0 0 443.552 1.078 50 0 IDAARN Cc1ccc(CNC(=O)CCc2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)cc1 ZINC000035401896 524499752 /nfs/dbraw/zinc/49/97/52/524499752.db2.gz BVUYSPPXDRNYFY-UHFFFAOYSA-N 0 0 446.467 1.539 50 0 IDAARN COc1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)S(=O)(=O)N=CN3)cc1OC ZINC000033266278 524503371 /nfs/dbraw/zinc/50/33/71/524503371.db2.gz IAHALHJUGWOAKL-UHFFFAOYSA-N 0 0 439.471 1.259 50 0 IDAARN COc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1 ZINC000022908840 524508305 /nfs/dbraw/zinc/50/83/05/524508305.db2.gz FDTKXODSAKAIOW-UHFFFAOYSA-N 0 0 444.557 1.804 50 0 IDAARN COc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000012601318 524525516 /nfs/dbraw/zinc/52/55/16/524525516.db2.gz KTFHGOYVHDIBIK-UHFFFAOYSA-N 0 0 436.515 1.607 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3c4sc(N(C)C)nc4ncn3c2=O)cc1Cl ZINC000033309191 524534775 /nfs/dbraw/zinc/53/47/75/524534775.db2.gz YDMJHMAXNCZSCY-UHFFFAOYSA-N 0 0 433.881 1.867 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(C)(=O)=O)CC(=O)N2Cc2ccc(C)cc2)cc1 ZINC000021529085 524545819 /nfs/dbraw/zinc/54/58/19/524545819.db2.gz BWTBGIZCLAXNEA-HSZRJFAPSA-N 0 0 443.569 1.982 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C(=O)NCCc4ccco4)cc3C(=O)N2C)cc1 ZINC000021877342 524546134 /nfs/dbraw/zinc/54/61/34/524546134.db2.gz KKQWIRMIAQKQQW-XMMPIXPASA-N 0 0 449.511 1.918 50 0 IDAARN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)CC1 ZINC000021927811 524549020 /nfs/dbraw/zinc/54/90/20/524549020.db2.gz YXMRCKPFOQPRCE-KRWDZBQOSA-N 0 0 447.561 1.178 50 0 IDAARN COc1ccccc1N1C[C@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000021560912 524581443 /nfs/dbraw/zinc/58/14/43/524581443.db2.gz UNGBADRRAZUBAM-OAHLLOKOSA-N 0 0 428.489 1.419 50 0 IDAARN COc1ccccc1NC(=O)c1cnc(SCC(=O)NC[C@H]2CCCO2)n(C)c1=O ZINC000012236954 524630948 /nfs/dbraw/zinc/63/09/48/524630948.db2.gz PGSUIOWXYIBKGQ-CYBMUJFWSA-N 0 0 432.502 1.429 50 0 IDAARN COc1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012733805 524631201 /nfs/dbraw/zinc/63/12/01/524631201.db2.gz DUVXKMWZYCETHM-UHFFFAOYSA-N 0 0 443.485 1.549 50 0 IDAARN C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000020533338 524648673 /nfs/dbraw/zinc/64/86/73/524648673.db2.gz RILZXQYWXZEAHV-KBPBESRZSA-N 0 0 431.924 1.745 50 0 IDAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012643380 524672310 /nfs/dbraw/zinc/67/23/10/524672310.db2.gz LTNLPFYIBLTYFY-UHFFFAOYSA-N 0 0 447.513 1.889 50 0 IDAARN Cc1cccc(OCC(=O)N2CCN(c3c(C)n(-c4ccccc4)c(=O)n(C)c3=O)CC2)c1 ZINC000021885922 524714618 /nfs/dbraw/zinc/71/46/18/524714618.db2.gz ZNUIQYZIBYQDCS-UHFFFAOYSA-N 0 0 448.523 1.881 50 0 IDAARN Cc1cccc(OCCNC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)c1 ZINC000021628193 524745311 /nfs/dbraw/zinc/74/53/11/524745311.db2.gz FYKVFSBKTVZBRD-OAHLLOKOSA-N 0 0 438.575 1.388 50 0 IDAARN COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)N3CCN(C)CC3)C(C)C)no2)c1 ZINC000036016100 524790480 /nfs/dbraw/zinc/79/04/80/524790480.db2.gz INWQOSCOSFUOJX-FQEVSTJZSA-N 0 0 430.505 1.887 50 0 IDAARN COc1ccc(OC)c(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1 ZINC000012005955 524820657 /nfs/dbraw/zinc/82/06/57/524820657.db2.gz BXRUWJKJPLQQEE-CQSZACIVSA-N 0 0 432.498 1.989 50 0 biogenic IDAARN C[C@@H]1CN(C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012889764 524890185 /nfs/dbraw/zinc/89/01/85/524890185.db2.gz WIRATMBBXXVZMW-GASCZTMLSA-N 0 0 431.986 1.965 50 0 IDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000035363875 524952018 /nfs/dbraw/zinc/95/20/18/524952018.db2.gz BDRXNLLNSXNAAR-VZTCAHHPSA-N 0 0 449.463 1.025 50 0 biogenic IDAARN COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000022916526 524958215 /nfs/dbraw/zinc/95/82/15/524958215.db2.gz ZZSSUAKLPNEEPY-OAHLLOKOSA-N 0 0 432.546 1.879 50 0 IDAARN C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3cccnc3)ccc2N1C(=O)C1CC1 ZINC000020529643 524981345 /nfs/dbraw/zinc/98/13/45/524981345.db2.gz AWIDFSHKATUIPV-HNNXBMFYSA-N 0 0 442.541 1.754 50 0 IDAARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O ZINC000012802570 524989324 /nfs/dbraw/zinc/98/93/24/524989324.db2.gz LBSQQCWKTMAWMY-FPTDNZKUSA-N 0 0 431.456 1.407 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN1CCC[C@@H]1C(N)=O ZINC000012802191 525028252 /nfs/dbraw/zinc/02/82/52/525028252.db2.gz PHVXSDXKTMHYDF-QGZVFWFLSA-N 0 0 438.550 1.148 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 ZINC000020914147 525032444 /nfs/dbraw/zinc/03/24/44/525032444.db2.gz GUYGTQSHMZYRSH-INIZCTEOSA-N 0 0 436.559 1.931 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 ZINC000008987096 525033380 /nfs/dbraw/zinc/03/33/80/525033380.db2.gz AZDJELKMROKCFI-SFHVURJKSA-N 0 0 428.474 1.463 50 0 IDAARN C[C@@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288232 525039691 /nfs/dbraw/zinc/03/96/91/525039691.db2.gz ONSRSVXXFYQFPE-NQIIRXRSSA-N 0 0 442.585 1.975 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCc3ccccc3)c2)C[C@H](C)O1 ZINC000016035697 525054129 /nfs/dbraw/zinc/05/41/29/525054129.db2.gz IUAFOCGYCBKNFP-CALCHBBNSA-N 0 0 446.525 1.958 50 0 IDAARN Cc1cc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)ccc1N1CCCC1 ZINC000241367997 525122917 /nfs/dbraw/zinc/12/29/17/525122917.db2.gz MJEMYWQKLIODEE-HQRMLTQVSA-N 0 0 434.562 1.941 50 0 IDAARN C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1ccc2c(c1)OCO2 ZINC000023348931 525126768 /nfs/dbraw/zinc/12/67/68/525126768.db2.gz VVWOYFPHYMTSGO-LLVKDONJSA-N 0 0 429.458 1.722 50 0 IDAARN CS(=O)(=O)NCC1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000042381339 525188314 /nfs/dbraw/zinc/18/83/14/525188314.db2.gz SHGPRFJNOZQOOE-UHFFFAOYSA-N 0 0 437.562 1.415 50 0 IDAARN C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)Cc2ccccc2C(=O)O1 ZINC000012936498 525193794 /nfs/dbraw/zinc/19/37/94/525193794.db2.gz WPYSUOXFLRLPSM-OAQYLSRUSA-N 0 0 432.473 1.830 50 0 IDAARN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CN3c4ccccc4OCCC3=O)CC2)C1 ZINC000012915908 525201700 /nfs/dbraw/zinc/20/17/00/525201700.db2.gz JEPAJCOHMYNAQN-RTBURBONSA-N 0 0 442.560 1.451 50 0 IDAARN Cc1ccccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021528979 525221091 /nfs/dbraw/zinc/22/10/91/525221091.db2.gz ROFGUZZCLQJBMM-OAQYLSRUSA-N 0 0 433.505 1.817 50 0 IDAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 ZINC000022384255 525224585 /nfs/dbraw/zinc/22/45/85/525224585.db2.gz JENXPXLIDJCHLF-UHFFFAOYSA-N 0 0 432.502 1.581 50 0 IDAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N2CCN(Cc3ccncc3)CC2)C1=O ZINC000012543351 525242628 /nfs/dbraw/zinc/24/26/28/525242628.db2.gz NFVLNFNUDFAXBN-XMMPIXPASA-N 0 0 435.528 1.669 50 0 IDAARN Cc1ccc(NC(=S)NCCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000021475702 525266809 /nfs/dbraw/zinc/26/68/09/525266809.db2.gz PEDLUBWKTAHFTP-UHFFFAOYSA-N 0 0 426.608 1.788 50 0 IDAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)CCNS(=O)(=O)c2ccccc2)n1 ZINC000012523611 525273783 /nfs/dbraw/zinc/27/37/83/525273783.db2.gz ZPFRRHSZXPTSBN-UHFFFAOYSA-N 0 0 442.501 1.918 50 0 IDAARN Cc1ccccc1OCC(=O)N1CCN(CCNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020891181 525279021 /nfs/dbraw/zinc/27/90/21/525279021.db2.gz DGWOXVLYUQSNJI-UHFFFAOYSA-N 0 0 425.485 1.677 50 0 IDAARN Cc1ccccc1OC[C@H](O)Cn1c2c(nc1N1CCC(C)CC1)n(C)c(=O)n(C)c2=O ZINC000012232422 525314886 /nfs/dbraw/zinc/31/48/86/525314886.db2.gz GUTZDAMDSLYGJN-QGZVFWFLSA-N 0 0 441.532 1.418 50 0 IDAARN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 ZINC000012764017 525404593 /nfs/dbraw/zinc/40/45/93/525404593.db2.gz YAGKPCZIAONRLQ-LBPRGKRZSA-N 0 0 445.950 1.699 50 0 IDAARN Cc1ccccc1[C@H](OC[C@@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000012535236 525434405 /nfs/dbraw/zinc/43/44/05/525434405.db2.gz GMDDPZXFZRNDNK-GHTZIAJQSA-N 0 0 434.496 1.909 50 0 IDAARN COc1ccc([C@]2(CC(=O)N[C@H]3CCCCNC3=O)CC(=O)N(C3CCCC3)C2=O)cc1 ZINC000012455834 525446148 /nfs/dbraw/zinc/44/61/48/525446148.db2.gz PNTKHRUYTOBJFI-CYFREDJKSA-N 0 0 441.528 1.810 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000035431112 525516962 /nfs/dbraw/zinc/51/69/62/525516962.db2.gz SZGPDBZLLCUUHX-KRWDZBQOSA-N 0 0 445.497 1.252 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC[C@@H]3CCCO3)CC2)cc1C ZINC000032945026 525520148 /nfs/dbraw/zinc/52/01/48/525520148.db2.gz KZIRGDSEBKPACX-SFHVURJKSA-N 0 0 438.546 1.543 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012599379 525525190 /nfs/dbraw/zinc/52/51/90/525525190.db2.gz DIHZMJBPMLNAQF-UHFFFAOYSA-N 0 0 431.514 1.971 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN(C)S(C)(=O)=O ZINC000032915131 525527309 /nfs/dbraw/zinc/52/73/09/525527309.db2.gz SBDXMYNZENUFLZ-UHFFFAOYSA-N 0 0 431.580 1.181 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)s1 ZINC000015286376 525543632 /nfs/dbraw/zinc/54/36/32/525543632.db2.gz ULHWTELLLRPWGI-UHFFFAOYSA-N 0 0 440.591 1.821 50 0 IDAARN CSCC[C@H](C(=O)OCC(=O)NC(=O)NCC(C)C)N1C(=O)c2ccccc2C1=O ZINC000020979656 525559481 /nfs/dbraw/zinc/55/94/81/525559481.db2.gz HHBSDTWRYIHRJF-OAHLLOKOSA-N 0 0 435.502 1.429 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000023156357 525567104 /nfs/dbraw/zinc/56/71/04/525567104.db2.gz OLIYNBKALVJYIK-NRFANRHFSA-N 0 0 449.548 1.992 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000012526290 525570669 /nfs/dbraw/zinc/57/06/69/525570669.db2.gz QZDDVBNYDMUVLS-UHFFFAOYSA-N 0 0 425.532 1.383 50 0 IDAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cnn1C ZINC000012808032 525581097 /nfs/dbraw/zinc/58/10/97/525581097.db2.gz VFLNMAJEASBHCN-UHFFFAOYSA-N 0 0 427.324 1.638 50 0 IDAARN CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000015701330 525586593 /nfs/dbraw/zinc/58/65/93/525586593.db2.gz NHVFQIPCJDTJMH-SFHVURJKSA-N 0 0 429.546 1.442 50 0 IDAARN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363877 525589288 /nfs/dbraw/zinc/58/92/88/525589288.db2.gz RPQFRVHPUSVADI-LCKXGBKKSA-N 0 0 433.508 1.647 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000020991640 525594165 /nfs/dbraw/zinc/59/41/65/525594165.db2.gz HZZHRWULMUTEOT-UHFFFAOYSA-N 0 0 428.514 1.947 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)CCC(=O)NCc1ccc3c(c1)OCO3)OCC(=O)N2 ZINC000020510129 525611228 /nfs/dbraw/zinc/61/12/28/525611228.db2.gz UOUMEVDTAOAXNQ-UHFFFAOYSA-N 0 0 432.454 1.535 50 0 IDAARN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCN4CCOCC4)CC3)[nH]c2c1 ZINC000035561993 525620534 /nfs/dbraw/zinc/62/05/34/525620534.db2.gz JERUCEQITDYNKX-UHFFFAOYSA-N 0 0 428.533 1.867 50 0 IDAARN Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c12 ZINC000021885793 525680964 /nfs/dbraw/zinc/68/09/64/525680964.db2.gz BHWXYVPBBVQKAU-INIZCTEOSA-N 0 0 428.514 1.497 50 0 IDAARN Cc1c(N2CCC(C(=O)NCCCOC(C)C)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258762 525823577 /nfs/dbraw/zinc/82/35/77/525823577.db2.gz ZBILKBPHLCJUTF-UHFFFAOYSA-N 0 0 442.560 1.992 50 0 IDAARN C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc[nH]1 ZINC000012622608 525831012 /nfs/dbraw/zinc/83/10/12/525831012.db2.gz DPIHNOBLJUNDCM-BJOHPYRUSA-N 0 0 435.285 1.775 50 0 IDAARN C[C@@]1(NC(=O)CN(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)CCS(=O)(=O)C1 ZINC000253532373 525868629 /nfs/dbraw/zinc/86/86/29/525868629.db2.gz JKIXUWUCTPKEMR-QVKFZJNVSA-N 0 0 448.545 1.010 50 0 IDAARN C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000018813077 525883623 /nfs/dbraw/zinc/88/36/23/525883623.db2.gz KASOSUDXGITZSA-AAEUAGOBSA-N 0 0 444.893 1.215 50 0 IDAARN C[C@H](OC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000012870052 525894798 /nfs/dbraw/zinc/89/47/98/525894798.db2.gz HUUGPYLALJWEOY-VIFPVBQESA-N 0 0 448.357 1.641 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnnn2Cc2ccccc2)C1=O ZINC000009665035 525903983 /nfs/dbraw/zinc/90/39/83/525903983.db2.gz CNBRSSSFLUYVDH-FQEVSTJZSA-N 0 0 437.485 1.312 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786454 525924971 /nfs/dbraw/zinc/92/49/71/525924971.db2.gz PWMSPJIKZPCHKJ-UHFFFAOYSA-N 0 0 433.512 1.819 50 0 IDAARN COc1cccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 ZINC000020614116 525961879 /nfs/dbraw/zinc/96/18/79/525961879.db2.gz NTBXWMCEJRRKMQ-LJQANCHMSA-N 0 0 441.484 1.230 50 0 IDAARN COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000020487080 525971239 /nfs/dbraw/zinc/97/12/39/525971239.db2.gz JKMQUXWYRSDZLN-UHFFFAOYSA-N 0 0 445.541 1.886 50 0 IDAARN C[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000021618732 526014603 /nfs/dbraw/zinc/01/46/03/526014603.db2.gz WTLVSNYPAZDUKH-LURJTMIESA-N 0 0 429.289 1.379 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)nn1C ZINC000012443132 526059983 /nfs/dbraw/zinc/05/99/83/526059983.db2.gz LPPOVXZJOBTNLZ-UHFFFAOYSA-N 0 0 448.480 1.957 50 0 IDAARN COc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)c1 ZINC000021528725 526138311 /nfs/dbraw/zinc/13/83/11/526138311.db2.gz DGSUIACHKXCWDG-OAQYLSRUSA-N 0 0 431.514 1.379 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)s1 ZINC000012568634 526153894 /nfs/dbraw/zinc/15/38/94/526153894.db2.gz OZNWOUZOUZTXBA-GOSISDBHSA-N 0 0 434.949 1.811 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccc4c(c3)OCO4)CC2=O)c1 ZINC000020738759 526160568 /nfs/dbraw/zinc/16/05/68/526160568.db2.gz QNUDKWZWVGPSII-HNNXBMFYSA-N 0 0 425.441 1.323 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)COc4ccccc4)CC3)CC2=O)c1 ZINC000020714780 526163314 /nfs/dbraw/zinc/16/33/14/526163314.db2.gz XAKRLKKPJVUPPS-GOSISDBHSA-N 0 0 437.496 1.798 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000023221571 526204511 /nfs/dbraw/zinc/20/45/11/526204511.db2.gz IKTZQMPGPHZBOQ-AWEZNQCLSA-N 0 0 436.511 1.492 50 0 IDAARN COc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c1 ZINC000012310177 526227541 /nfs/dbraw/zinc/22/75/41/526227541.db2.gz HPLKFJUBMOJTBR-UHFFFAOYSA-N 0 0 445.483 1.947 50 0 IDAARN COc1cccc(OCC(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000012163187 526229089 /nfs/dbraw/zinc/22/90/89/526229089.db2.gz MJJTWQJWQBNFPW-UHFFFAOYSA-N 0 0 448.545 1.127 50 0 IDAARN C[C@H]1CCCCN1C(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000022916920 526242497 /nfs/dbraw/zinc/24/24/97/526242497.db2.gz VBEWWWCEQXBAIN-RBUKOAKNSA-N 0 0 441.576 1.769 50 0 IDAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(CC(=O)NCCC(C)C)c(=O)n(C)c2n1 ZINC000035477304 526242630 /nfs/dbraw/zinc/24/26/30/526242630.db2.gz OOJCQYMTQGHVTP-UHFFFAOYSA-N 0 0 429.521 1.192 50 0 IDAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(CC(=O)Nc3ccccc3)c(=O)n(C)c2n1 ZINC000020345071 526242986 /nfs/dbraw/zinc/24/29/86/526242986.db2.gz JUCJBYQWAHRFFZ-UHFFFAOYSA-N 0 0 435.484 1.668 50 0 IDAARN Cc1cc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n(C)n1 ZINC000020600801 526250506 /nfs/dbraw/zinc/25/05/06/526250506.db2.gz FHZMNAAYXZLYJT-IBGZPJMESA-N 0 0 425.533 1.880 50 0 IDAARN C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3cc(=O)n4ccsc4n3)CC1)C2=O ZINC000022796776 526259987 /nfs/dbraw/zinc/25/99/87/526259987.db2.gz STWAZPKXIFKVEL-YCRPNKLZSA-N 0 0 444.561 1.332 50 0 IDAARN Cc1nn(CCC(=O)N2c3ccccc3C[C@H]2C)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021030008 526278304 /nfs/dbraw/zinc/27/83/04/526278304.db2.gz DLBSPXIPRADERG-OAHLLOKOSA-N 0 0 432.546 1.889 50 0 IDAARN Cc1coc2cc3oc(=O)c(CC(=O)N(C)CC(=O)N4CCN(C)CC4)c(C)c3cc12 ZINC000020650426 526291291 /nfs/dbraw/zinc/29/12/91/526291291.db2.gz RHWXYEPTXAAJDM-UHFFFAOYSA-N 0 0 425.485 1.931 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000012236048 526304360 /nfs/dbraw/zinc/30/43/60/526304360.db2.gz DXEDWVCFXCIDGM-CQSZACIVSA-N 0 0 427.504 1.067 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CN1C(=O)NC2(CCCCC2)C1=O ZINC000022096214 526304633 /nfs/dbraw/zinc/30/46/33/526304633.db2.gz OPTCOQKEMSQCBK-MRXNPFEDSA-N 0 0 437.566 1.504 50 0 IDAARN O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 ZINC000022908049 526317146 /nfs/dbraw/zinc/31/71/46/526317146.db2.gz RTQKQJQPCISAFK-FQEVSTJZSA-N 0 0 442.585 1.412 50 0 IDAARN O=C(NCCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2c(c1)OCO2 ZINC000020745672 526329658 /nfs/dbraw/zinc/32/96/58/526329658.db2.gz MSZJYDCGBDPNNZ-AWEZNQCLSA-N 0 0 429.860 1.968 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012444726 526367226 /nfs/dbraw/zinc/36/72/26/526367226.db2.gz JRSHNZOUQVBVAF-UHFFFAOYSA-N 0 0 432.590 1.866 50 0 IDAARN Cc1csc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)n1 ZINC000022909001 526386027 /nfs/dbraw/zinc/38/60/27/526386027.db2.gz DVHSRIGBQPNGMK-UHFFFAOYSA-N 0 0 449.602 1.950 50 0 IDAARN O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccn1 ZINC000020731941 526415375 /nfs/dbraw/zinc/41/53/75/526415375.db2.gz MCHLNSYXDHPOSD-UHFFFAOYSA-N 0 0 434.493 1.863 50 0 IDAARN O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(Br)cc1 ZINC000012802134 526426698 /nfs/dbraw/zinc/42/66/98/526426698.db2.gz LRPLETBXTIDYAK-UMVBOHGHSA-N 0 0 430.324 1.795 50 0 IDAARN O=C(CCCNc1ncccn1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000040131466 526445783 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50 0 IDAARN O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCCN1CCOCC1 ZINC000022767595 527370582 /nfs/dbraw/zinc/37/05/82/527370582.db2.gz YXOAUPFRKFPTCZ-UHFFFAOYSA-N 0 0 427.526 1.923 50 0 IDAARN O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012853253 527383104 /nfs/dbraw/zinc/38/31/04/527383104.db2.gz QQHCBOUONLWWSA-UHFFFAOYSA-N 0 0 443.447 1.541 50 0 IDAARN Cn1cccc1C(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035325900 527387168 /nfs/dbraw/zinc/38/71/68/527387168.db2.gz AZYUFDVCACZPDJ-UHFFFAOYSA-N 0 0 440.525 1.441 50 0 IDAARN Nc1c(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1 ZINC000009580578 527424291 /nfs/dbraw/zinc/42/42/91/527424291.db2.gz STCKXDVVHLYZJT-UHFFFAOYSA-N 0 0 435.469 1.558 50 0 IDAARN O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020466404 527428092 /nfs/dbraw/zinc/42/80/92/527428092.db2.gz IXINXFCVQQQCNA-UHFFFAOYSA-N 0 0 434.525 1.964 50 0 IDAARN O=c1n(OCc2ccccc2)c(=O)n(OCc2ccccc2)c(=O)n1OCc1ccccc1 ZINC000015079922 527494564 /nfs/dbraw/zinc/49/45/64/527494564.db2.gz GRBHFFGNOHWAFH-UHFFFAOYSA-N 0 0 447.447 1.058 50 0 IDAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000020208851 527500779 /nfs/dbraw/zinc/50/07/79/527500779.db2.gz VFSPOFJOVKVTPL-UHFFFAOYSA-N 0 0 441.561 1.889 50 0 IDAARN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(CC(=O)NCCN2CCOCC2)CC1 ZINC000033115104 527557768 /nfs/dbraw/zinc/55/77/68/527557768.db2.gz XWTUJWJXZKFAMO-UHFFFAOYSA-N 0 0 439.560 1.871 50 0 IDAARN Cn1ncc2c1ncnc2N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012485933 527586575 /nfs/dbraw/zinc/58/65/75/527586575.db2.gz PJBIIFRDHLGLQX-UHFFFAOYSA-N 0 0 430.490 1.036 50 0 IDAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 ZINC000077100225 527621015 /nfs/dbraw/zinc/62/10/15/527621015.db2.gz JJRNCJYARPBYCY-WTDSWWLTSA-N 0 0 448.439 1.088 50 0 IDAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000012676805 527630731 /nfs/dbraw/zinc/63/07/31/527630731.db2.gz JJKOITFZVJJZAH-BXKJMJEDSA-N 0 0 445.585 1.270 50 0 IDAARN Cc1nn(C)c(C)c1NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)Cc2ccco2)c1C ZINC000012872438 527647583 /nfs/dbraw/zinc/64/75/83/527647583.db2.gz KHLAMZBHWHJLDF-UHFFFAOYSA-N 0 0 434.522 1.903 50 0 IDAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(CCO)Cc1ccccc1 ZINC000035418918 527655708 /nfs/dbraw/zinc/65/57/08/527655708.db2.gz XIASMMKYOYCCEE-FLIBITNWSA-N 0 0 430.526 1.742 50 0 IDAARN O=C(NCCCN1CCOCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000020715471 527669830 /nfs/dbraw/zinc/66/98/30/527669830.db2.gz LEENASBYGACBFJ-UHFFFAOYSA-N 0 0 441.458 1.198 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556941 527671755 /nfs/dbraw/zinc/67/17/55/527671755.db2.gz PWXUWDQGGGHRMK-SFHVURJKSA-N 0 0 441.580 1.608 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)c(OCC)c1 ZINC000013847798 535390970 /nfs/dbraw/zinc/39/09/70/535390970.db2.gz FTUUYWWLYBYVNL-UHFFFAOYSA-N 0 0 432.506 1.433 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccccc2OC)n(C)c1=O ZINC000009156832 535761979 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0 0 433.530 1.819 50 0 IDAARN COc1ccccc1N1CCN(C(=O)COCC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000009720544 537064456 /nfs/dbraw/zinc/06/44/56/537064456.db2.gz KLNJRVNNEONTEW-UHFFFAOYSA-N 0 0 441.484 1.406 50 0 IDAARN COc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000009631433 537064890 /nfs/dbraw/zinc/06/48/90/537064890.db2.gz KZVLPESTFPUDFJ-UHFFFAOYSA-N 0 0 446.529 1.281 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 ZINC000009121040 555509257 /nfs/dbraw/zinc/50/92/57/555509257.db2.gz JJTGGNDSOJZKQO-HNNXBMFYSA-N 0 0 447.469 1.421 50 0 IDAARN Cn1c2nc(NCCc3ccccc3)n(C[C@@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000000626022 555512595 /nfs/dbraw/zinc/51/25/95/555512595.db2.gz FJBLOXIGYXQGRP-QGZVFWFLSA-N 0 0 435.484 1.518 50 0 aggregator IDAARN CCc1ccc(OC[C@H](O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000626147 555512910 /nfs/dbraw/zinc/51/29/10/555512910.db2.gz SLRLCVJJVUFMSH-GFCCVEGCSA-N 0 0 437.294 1.199 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000629406 555513965 /nfs/dbraw/zinc/51/39/65/555513965.db2.gz SIKXLLMUFHIUSB-HNNXBMFYSA-N 0 0 439.472 1.387 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C ZINC000000639829 555517839 /nfs/dbraw/zinc/51/78/39/555517839.db2.gz WMWZSZPYWGHUNN-UHFFFAOYSA-N 0 0 426.516 1.825 50 0 IDAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 ZINC000000667270 555529245 /nfs/dbraw/zinc/52/92/45/555529245.db2.gz BQIOGEZTJQLQIX-UHFFFAOYSA-N 0 0 437.543 1.876 50 0 IDAARN Cn1c2c(ncn2CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(=O)n(C)c1=O ZINC000000679444 555536863 /nfs/dbraw/zinc/53/68/63/555536863.db2.gz UNUOAVRZIDKMHD-UHFFFAOYSA-N 0 0 430.877 1.849 50 0 IDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2)cc1 ZINC000000784395 555556159 /nfs/dbraw/zinc/55/61/59/555556159.db2.gz CRWUQCUKMRFJMC-UHFFFAOYSA-N 0 0 431.514 1.614 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000000798663 555558635 /nfs/dbraw/zinc/55/86/35/555558635.db2.gz WITDEWLPVFMPRJ-UHFFFAOYSA-N 0 0 438.333 1.915 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000009355064 555559570 /nfs/dbraw/zinc/55/95/70/555559570.db2.gz OBWLSZXYCQGPTR-KYSILRCISA-N 0 0 449.488 1.922 50 0 IDAARN COc1ccccc1-n1c(=O)c2cc3c(cc2c1=O)c(=O)n(-c1ccccc1OC)c3=O ZINC000000820917 555563435 /nfs/dbraw/zinc/56/34/35/555563435.db2.gz ZWFSTXYAMFERAV-UHFFFAOYSA-N 0 0 428.400 1.908 50 0 IDAARN CCc1ccc(OC[C@@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000824791 555564766 /nfs/dbraw/zinc/56/47/66/555564766.db2.gz SGPBVBMUXWAJRA-KRWDZBQOSA-N 0 0 441.532 1.806 50 0 IDAARN CC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C ZINC000000863233 555573308 /nfs/dbraw/zinc/57/33/08/555573308.db2.gz PWAQTSKRUIMQHF-UONOGXRCSA-N 0 0 432.502 1.241 50 0 IDAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1 ZINC000009463646 555575355 /nfs/dbraw/zinc/57/53/55/555575355.db2.gz XZUOYQFDTPJFSN-VAWYXSNFSA-N 0 0 430.482 1.314 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000009468233 555576208 /nfs/dbraw/zinc/57/62/08/555576208.db2.gz GBAONQLKVHWHPH-IBGZPJMESA-N 0 0 446.481 1.436 50 0 IDAARN CC[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(C)c(I)c1 ZINC000000938261 555586228 /nfs/dbraw/zinc/58/62/28/555586228.db2.gz FXRQCEAQFSGGTA-GFCCVEGCSA-N 0 0 431.299 1.825 50 0 IDAARN O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O)N1CCC2(CC1)OCCO2 ZINC000046153444 555610537 /nfs/dbraw/zinc/61/05/37/555610537.db2.gz NUFXOVDDVCBINS-UHFFFAOYSA-N 0 0 436.896 1.382 50 0 biogenic IDAARN CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2 ZINC000001065907 555618334 /nfs/dbraw/zinc/61/83/34/555618334.db2.gz WGOMRPRSZOVJBY-UHFFFAOYSA-N 0 0 435.477 1.669 50 0 IDAARN COc1ccc(N2C(=O)[C@@H](CC(N)=O)N(NC(=O)c3cccc(OC)c3)C2=S)cc1 ZINC000001109138 555630481 /nfs/dbraw/zinc/63/04/81/555630481.db2.gz NRJSABLKSMYZMF-MRXNPFEDSA-N 0 0 428.470 1.226 50 0 IDAARN CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(I)cc1 ZINC000001138379 555648087 /nfs/dbraw/zinc/64/80/87/555648087.db2.gz MAXAJILAZMOXBX-UHFFFAOYSA-N 0 0 445.282 1.769 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000001141082 555650103 /nfs/dbraw/zinc/65/01/03/555650103.db2.gz AAJSORZPWSFOMG-UHFFFAOYSA-N 0 0 426.491 1.026 50 0 IDAARN NC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccc(Br)cc1 ZINC000001185421 555673928 /nfs/dbraw/zinc/67/39/28/555673928.db2.gz VEQUOKTYKCTRCI-CQSZACIVSA-N 0 0 447.314 1.972 50 0 IDAARN CN(C)c1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(N(C)C)n1 ZINC000001742628 555711765 /nfs/dbraw/zinc/71/17/65/555711765.db2.gz JTRQWLNQPRLQPT-UHFFFAOYSA-N 0 0 433.463 1.877 50 0 IDAARN NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CSCc1ccccc1)NS2(=O)=O ZINC000001842995 555720109 /nfs/dbraw/zinc/72/01/09/555720109.db2.gz ZUNJWRJEKCRIMZ-OAHLLOKOSA-N 0 0 433.964 1.951 50 0 in-man IDAARN COc1ccccc1C(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000001901197 555723478 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O=C(Cc1c(F)cccc1Cl)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000032915612 556612774 /nfs/dbraw/zinc/61/27/74/556612774.db2.gz BDBUGLNXAGHGRW-UHFFFAOYSA-N 0 0 425.869 1.781 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1 ZINC000016681214 556623817 /nfs/dbraw/zinc/62/38/17/556623817.db2.gz QXLZSYBWIJMZMS-UHFFFAOYSA-N 0 0 437.543 1.410 50 0 IDAARN COc1ccccc1NC(=O)Cc1noc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000016695310 556628610 /nfs/dbraw/zinc/62/86/10/556628610.db2.gz JQKAOBZHEZYVKC-QGZVFWFLSA-N 0 0 429.477 1.083 50 0 IDAARN CC[C@H]1C(=O)NCCN1C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000039509552 556629471 /nfs/dbraw/zinc/62/94/71/556629471.db2.gz UXZPDTKILPBNJO-INIZCTEOSA-N 0 0 443.953 1.493 50 0 IDAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000409413663 556641074 /nfs/dbraw/zinc/64/10/74/556641074.db2.gz JXSYFQMYLKJVGB-MAUKXSAKSA-N 0 0 427.482 1.189 50 0 IDAARN CC(C)CNC(=O)[C@H](C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000037577899 556644058 /nfs/dbraw/zinc/64/40/58/556644058.db2.gz JUWFBTPFWPRYHT-HNNXBMFYSA-N 0 0 429.496 1.959 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(C)C ZINC000037578994 556644069 /nfs/dbraw/zinc/64/40/69/556644069.db2.gz YYSAKFIJQUFAGP-HXUWFJFHSA-N 0 0 441.532 1.446 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 ZINC000016823698 556645066 /nfs/dbraw/zinc/64/50/66/556645066.db2.gz WZHXWZSDSODPRC-IBGZPJMESA-N 0 0 441.509 1.823 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)NCCCn2nc(-c3ccncc3)ccc2=O)c1 ZINC000011746631 556650115 /nfs/dbraw/zinc/65/01/15/556650115.db2.gz QCAJFXRHRXYEFW-UHFFFAOYSA-N 0 0 430.486 1.691 50 0 IDAARN COCCNC(=O)NC(=O)CSc1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1 ZINC000011748056 556650268 /nfs/dbraw/zinc/65/02/68/556650268.db2.gz CDWQKUKJBIZOIG-OAHLLOKOSA-N 0 0 440.570 1.258 50 0 IDAARN CCc1nnc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000011758098 556652232 /nfs/dbraw/zinc/65/22/32/556652232.db2.gz GMWYSPDNPWDSHG-UHFFFAOYSA-N 0 0 435.535 1.295 50 0 IDAARN CCOc1ccc(C(=O)N2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)cc1OCC ZINC000032999382 556653219 /nfs/dbraw/zinc/65/32/19/556653219.db2.gz XTLGLSPNDJHPAA-UHFFFAOYSA-N 0 0 430.505 1.152 50 0 IDAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000033001811 556654290 /nfs/dbraw/zinc/65/42/90/556654290.db2.gz LUSWYWUJKCYHKP-GJZGRUSLSA-N 0 0 428.514 1.948 50 0 IDAARN CCc1c(C)sc2nc(SCC(=O)NCC(=O)OC)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000011772510 556655110 /nfs/dbraw/zinc/65/51/10/556655110.db2.gz BYQMEFALJGVYJM-LBPRGKRZSA-N 0 0 439.559 1.889 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000011856618 556662462 /nfs/dbraw/zinc/66/24/62/556662462.db2.gz GCZVFSVUOROPIJ-UHFFFAOYSA-N 0 0 428.466 1.839 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c(OC)c1 ZINC000011858112 556663152 /nfs/dbraw/zinc/66/31/52/556663152.db2.gz ISEQBHUBSVMQQR-UHFFFAOYSA-N 0 0 440.499 1.880 50 0 IDAARN Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N(C)CCc1ccncc1 ZINC000011859313 556664089 /nfs/dbraw/zinc/66/40/89/556664089.db2.gz MITHJNWTTLKWJP-UHFFFAOYSA-N 0 0 437.543 1.628 50 0 IDAARN COC(=O)[C@H]1O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000044075566 556665817 /nfs/dbraw/zinc/66/58/17/556665817.db2.gz AXUXNCRKZCBMKR-CWLGOENISA-N 0 0 426.443 1.472 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000011866604 556666795 /nfs/dbraw/zinc/66/67/95/556666795.db2.gz AKIKRFUUPYHJNR-UHFFFAOYSA-N 0 0 427.482 1.124 50 0 IDAARN C[C@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000017123307 556668705 /nfs/dbraw/zinc/66/87/05/556668705.db2.gz PAYSSBVXAPFRGA-AWEZNQCLSA-N 0 0 445.472 1.608 50 0 IDAARN O=C(NCc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000017124825 556668870 /nfs/dbraw/zinc/66/88/70/556668870.db2.gz AIRFJFPLQHKGPF-UHFFFAOYSA-N 0 0 435.477 1.813 50 0 IDAARN COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)NCc1cccnc1 ZINC000011904181 556670099 /nfs/dbraw/zinc/67/00/99/556670099.db2.gz WIZLNIPSMKQGLK-UHFFFAOYSA-N 0 0 439.515 1.271 50 0 IDAARN Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCCc1ccccc1F ZINC000011904610 556670413 /nfs/dbraw/zinc/67/04/13/556670413.db2.gz OJFPYNWACZYFGK-UHFFFAOYSA-N 0 0 426.491 1.722 50 0 IDAARN O=C(c1cccs1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC000017169958 556671448 /nfs/dbraw/zinc/67/14/48/556671448.db2.gz BVQJUTLCDVSBOB-UHFFFAOYSA-N 0 0 431.539 1.730 50 0 IDAARN O=C(CN1CCN(C(=O)c2c[nH]c(=O)cn2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000032932522 556675708 /nfs/dbraw/zinc/67/57/08/556675708.db2.gz YZWJGUFGTJCAEP-UHFFFAOYSA-N 0 0 425.367 1.065 50 0 IDAARN Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000011927525 556675704 /nfs/dbraw/zinc/67/57/04/556675704.db2.gz OVKLLSKDKHFYTK-UHFFFAOYSA-N 0 0 431.924 1.666 50 0 IDAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2nsnc21 ZINC000013521305 556675969 /nfs/dbraw/zinc/67/59/69/556675969.db2.gz UXMDUHPTQHZKGC-UHFFFAOYSA-N 0 0 445.570 1.656 50 0 IDAARN CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)N(C)C ZINC000032933044 556676401 /nfs/dbraw/zinc/67/64/01/556676401.db2.gz SKSQZPSETQUBPE-SJLPKXTDSA-N 0 0 425.551 1.377 50 0 IDAARN COc1cccc(CCNS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1 ZINC000011978051 556678074 /nfs/dbraw/zinc/67/80/74/556678074.db2.gz RBWUKYGREBAMDP-AWEZNQCLSA-N 0 0 438.527 1.529 50 0 IDAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 ZINC000011997547 556679344 /nfs/dbraw/zinc/67/93/44/556679344.db2.gz QRMKIUYYCTWFJV-SFHVURJKSA-N 0 0 437.543 1.334 50 0 IDAARN CC(=O)N[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccccc1 ZINC000010629639 556683013 /nfs/dbraw/zinc/68/30/13/556683013.db2.gz UUEQFWXXLQTAOC-SFHVURJKSA-N 0 0 447.513 1.619 50 0 IDAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021203 556685774 /nfs/dbraw/zinc/68/57/74/556685774.db2.gz UHPCNMQBCOWRRR-QGZVFWFLSA-N 0 0 443.525 1.777 50 0 IDAARN C[C@@H](OC(=O)Cc1nn(CCO)c(=O)c2ccccc12)C(=O)N1CCCc2ccccc21 ZINC000072312585 556687895 /nfs/dbraw/zinc/68/78/95/556687895.db2.gz HSDXXDRSBHEUPM-MRXNPFEDSA-N 0 0 435.480 1.842 50 0 IDAARN O=S(=O)(c1cccnc1)N1CCN(S(=O)(=O)c2cccnc2)C2(CCCCC2)C1 ZINC000072313133 556688364 /nfs/dbraw/zinc/68/83/64/556688364.db2.gz LOKKYXPNJHSICX-UHFFFAOYSA-N 0 0 436.559 1.875 50 0 IDAARN O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 ZINC000032938319 556691072 /nfs/dbraw/zinc/69/10/72/556691072.db2.gz GFRVNRGCXWXBMO-GOSISDBHSA-N 0 0 436.472 1.876 50 0 IDAARN COc1ccccc1C(=O)N(CCc1ccccc1)CCS(=O)(=O)N1CCNCC1 ZINC000046140867 556691734 /nfs/dbraw/zinc/69/17/34/556691734.db2.gz WOMZBJXEJWNLRF-UHFFFAOYSA-N 0 0 431.558 1.615 50 0 IDAARN COCCn1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(OC)cc3)ccc21 ZINC000033024023 556694455 /nfs/dbraw/zinc/69/44/55/556694455.db2.gz BIFQMOVXARIBJV-UHFFFAOYSA-N 0 0 447.517 1.023 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)n(C)n1 ZINC000013614533 556702907 /nfs/dbraw/zinc/70/29/07/556702907.db2.gz PVLOIOYKOITGSC-UHFFFAOYSA-N 0 0 432.462 1.052 50 0 IDAARN Cc1cc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)o2)n(C)n1 ZINC000013614985 556702943 /nfs/dbraw/zinc/70/29/43/556702943.db2.gz BLRIIPMZSZCCMK-LBPRGKRZSA-N 0 0 436.519 1.879 50 0 IDAARN CNS(=O)(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000033028203 556708581 /nfs/dbraw/zinc/70/85/81/556708581.db2.gz RRVFCRBNYLDQOU-UHFFFAOYSA-N 0 0 439.559 1.909 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000033028336 556708940 /nfs/dbraw/zinc/70/89/40/556708940.db2.gz PEKWXEMBVPWZPH-RYQLBKOJSA-N 0 0 440.587 1.804 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000019211521 556709075 /nfs/dbraw/zinc/70/90/75/556709075.db2.gz XQIQRUSPSNHALZ-QFIPXVFZSA-N 0 0 429.542 1.859 50 0 IDAARN COC(=O)c1nc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)sc1C ZINC000072325399 556723611 /nfs/dbraw/zinc/72/36/11/556723611.db2.gz QWJJRAWGCIXVSC-AWEZNQCLSA-N 0 0 428.470 1.828 50 0 biogenic IDAARN CCOC(=O)c1csc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@H]3C2=O)n1 ZINC000072326277 556724358 /nfs/dbraw/zinc/72/43/58/556724358.db2.gz DQNJWKHMAOLXIS-HNNXBMFYSA-N 0 0 428.470 1.910 50 0 biogenic IDAARN COc1ccc(NC(=O)COc2coc(CN3CCC[C@H]3C(N)=O)cc2=O)cc1Cl ZINC000061718659 556725507 /nfs/dbraw/zinc/72/55/07/556725507.db2.gz AANVWKGYODNWFN-HNNXBMFYSA-N 0 0 435.864 1.769 50 0 IDAARN CC(=O)N1CCN(C(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)CC1 ZINC000061719035 556726096 /nfs/dbraw/zinc/72/60/96/556726096.db2.gz SATRGMFZOZKNBO-UHFFFAOYSA-N 0 0 433.516 1.698 50 0 IDAARN NC(=O)C1CCN(C(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)CC1 ZINC000061720537 556727978 /nfs/dbraw/zinc/72/79/78/556727978.db2.gz JQAZPTDYDMNOIR-UHFFFAOYSA-N 0 0 433.516 1.732 50 0 IDAARN COC(=O)c1ccccc1NC(=O)C[C@H](C[N@@H+]1CCCN(c2ncccn2)CC1)C(=O)[O-] ZINC000061721597 556730555 /nfs/dbraw/zinc/73/05/55/556730555.db2.gz IZRAXIVZIHNTQZ-MRXNPFEDSA-N 0 0 441.488 1.505 50 0 IDAARN CN(CCC(=O)N1CCC(CO)(CCOc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000055036507 556732351 /nfs/dbraw/zinc/73/23/51/556732351.db2.gz CSMNWZSOXTXCST-LJQANCHMSA-N 0 0 438.590 1.566 50 0 IDAARN FC(F)(F)COc1nc(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)n1 ZINC000055190566 556737391 /nfs/dbraw/zinc/73/73/91/556737391.db2.gz RSLAVQBZLCVPQE-UHFFFAOYSA-N 0 0 438.454 1.972 50 0 IDAARN O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 ZINC000019335329 556738193 /nfs/dbraw/zinc/73/81/93/556738193.db2.gz SJOIUXOCHVRJAR-OAQYLSRUSA-N 0 0 425.533 1.118 50 0 IDAARN COc1cccc(C2=NN(Cc3ccccc3)c3nc4c(c(=O)n(C)c(=O)n4C)n3C2)c1 ZINC000005223552 556744048 /nfs/dbraw/zinc/74/40/48/556744048.db2.gz XDCCFHQNMFRIDI-UHFFFAOYSA-N 0 0 430.468 1.867 50 0 biogenic IDAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NCc3ccccc3OC)CC2=O)cc1 ZINC000005245753 556746751 /nfs/dbraw/zinc/74/67/51/556746751.db2.gz NHCCSUQEOYARHG-DOTOQJQBSA-N 0 0 425.485 1.878 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000206228803 556748642 /nfs/dbraw/zinc/74/86/42/556748642.db2.gz IWFGTBANDHAOLO-QGZVFWFLSA-N 0 0 430.505 1.619 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000206248136 556749192 /nfs/dbraw/zinc/74/91/92/556749192.db2.gz ZEBYFCUWJYMKTG-GOSISDBHSA-N 0 0 439.468 1.983 50 0 IDAARN O=C(CCC(=O)N1CCOCC1)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1 ZINC000057985052 556750083 /nfs/dbraw/zinc/75/00/83/556750083.db2.gz XOEYPQAYXXHIQT-UHFFFAOYSA-N 0 0 427.457 1.645 50 0 IDAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O ZINC000057996325 556751681 /nfs/dbraw/zinc/75/16/81/556751681.db2.gz HXNWWGKWHGSDEI-CPJSRVTESA-N 0 0 444.491 1.820 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000058006240 556752736 /nfs/dbraw/zinc/75/27/36/556752736.db2.gz OKDXYGUPIFNGIW-UHFFFAOYSA-N 0 0 429.420 1.754 50 0 IDAARN COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000058077639 556756744 /nfs/dbraw/zinc/75/67/44/556756744.db2.gz VQKLYJVPNWQOCB-LJQANCHMSA-N 0 0 430.505 1.929 50 0 IDAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(CN3CCOC3=O)cc2)C[C@H](C)O1 ZINC000058129815 556759909 /nfs/dbraw/zinc/75/99/09/556759909.db2.gz YYVHDBLDQOBFOI-GJZGRUSLSA-N 0 0 440.522 1.199 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)Cc2nc(Cc3ccccc3)no2)o1 ZINC000058131000 556760236 /nfs/dbraw/zinc/76/02/36/556760236.db2.gz NAFWRWPEDKJNIH-UHFFFAOYSA-N 0 0 425.488 1.619 50 0 IDAARN NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000058141755 556761145 /nfs/dbraw/zinc/76/11/45/556761145.db2.gz DSYHPESRKJPKLQ-IBGZPJMESA-N 0 0 449.554 1.467 50 0 IDAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000058154521 556762197 /nfs/dbraw/zinc/76/21/97/556762197.db2.gz QXVYTXGQOYEDCX-UYAOXDASSA-N 0 0 444.557 1.265 50 0 IDAARN Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000058154525 556762263 /nfs/dbraw/zinc/76/22/63/556762263.db2.gz QXVYTXGQOYEDCX-AZUAARDMSA-N 0 0 444.557 1.265 50 0 IDAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000005321961 556766926 /nfs/dbraw/zinc/76/69/26/556766926.db2.gz PKYVNRZZKVDLSJ-RDJZCZTQSA-N 0 0 425.485 1.878 50 0 IDAARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000058224644 556773595 /nfs/dbraw/zinc/77/35/95/556773595.db2.gz JZOJMRRCSHYJRA-ZDUSSCGKSA-N 0 0 433.472 1.518 50 0 IDAARN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1nnc(N2CCOCC2)s1 ZINC000058232049 556774396 /nfs/dbraw/zinc/77/43/96/556774396.db2.gz OFQLEGKOAJSUOU-NWDGAFQWSA-N 0 0 428.511 1.553 50 0 IDAARN O=C(CN1c2ccccc2N(CC(=O)NCc2ccco2)S1(=O)=O)NCc1ccco1 ZINC000058244486 556774784 /nfs/dbraw/zinc/77/47/84/556774784.db2.gz ZPHAEZGVIQRCBS-UHFFFAOYSA-N 0 0 444.469 1.377 50 0 IDAARN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000058298021 556778310 /nfs/dbraw/zinc/77/83/10/556778310.db2.gz PFTVSYYEWFERJI-KBPBESRZSA-N 0 0 426.395 1.473 50 0 IDAARN CCOC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1 ZINC000062232383 556803431 /nfs/dbraw/zinc/80/34/31/556803431.db2.gz FMRMQSQAMWYBIS-UHFFFAOYSA-N 0 0 434.514 1.817 50 0 IDAARN Cc1nn(CC(=O)N2CCOCC2)c(=O)c2c1nn(-c1ccc(F)cc1)c2-n1cccc1 ZINC000033058074 556807515 /nfs/dbraw/zinc/80/75/15/556807515.db2.gz IHZVWTYVMGAMBE-UHFFFAOYSA-N 0 0 436.447 1.679 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000003355158 556811577 /nfs/dbraw/zinc/81/15/77/556811577.db2.gz NHDYICHERHHVOE-MRXNPFEDSA-N 0 0 435.933 1.695 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)c(=O)[nH]c1=O ZINC000003443410 556815680 /nfs/dbraw/zinc/81/56/80/556815680.db2.gz JJICALUSIHQHJF-UHFFFAOYSA-N 0 0 444.517 1.791 50 0 IDAARN CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4ccccc4Cl)CC3)nc2)CC1 ZINC000003457263 556816065 /nfs/dbraw/zinc/81/60/65/556816065.db2.gz ANHBLOCSVAHNCS-UHFFFAOYSA-N 0 0 435.981 1.998 50 0 IDAARN CCOc1ccc(NC(=O)CCSc2nc3c(n2CC)n(C)c(=O)n(C)c3=O)cc1 ZINC000064762123 556826423 /nfs/dbraw/zinc/82/64/23/556826423.db2.gz 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O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NCc1ccco1 ZINC000008728640 556843775 /nfs/dbraw/zinc/84/37/75/556843775.db2.gz SLPVFYCTYWULML-UHFFFAOYSA-N 0 0 437.499 1.850 50 0 IDAARN CCOC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)CC1 ZINC000067612808 556844327 /nfs/dbraw/zinc/84/43/27/556844327.db2.gz WMTOKZQPGMCISR-UHFFFAOYSA-N 0 0 437.562 1.179 50 0 IDAARN COc1ccccc1CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000008965974 556851855 /nfs/dbraw/zinc/85/18/55/556851855.db2.gz URBLCVLPDJYLNB-UHFFFAOYSA-N 0 0 433.530 1.065 50 0 IDAARN COc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)n2)cc1 ZINC000015480237 556855068 /nfs/dbraw/zinc/85/50/68/556855068.db2.gz XOQAWFBSAUUVIR-UHFFFAOYSA-N 0 0 432.506 1.592 50 0 IDAARN CCn1c(N2CCC(C(=O)Nc3cc(OC)c(OC)c(OC)c3)CC2)cc(=O)n(C)c1=O ZINC000033124430 556864562 /nfs/dbraw/zinc/86/45/62/556864562.db2.gz QNHVFMZNYDDIIH-UHFFFAOYSA-N 0 0 446.504 1.448 50 0 IDAARN Cc1cccc(N2CCN(C(=O)C3CCN(c4cc(=O)n(C)c(=O)n4C)CC3)CC2)c1C ZINC000033124307 556864606 /nfs/dbraw/zinc/86/46/06/556864606.db2.gz PGIMOEVPVTTZON-UHFFFAOYSA-N 0 0 439.560 1.266 50 0 IDAARN O=C(NCCSc1c[nH]nn1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000019740488 556880481 /nfs/dbraw/zinc/88/04/81/556880481.db2.gz YWASWVZXCGQDAN-UHFFFAOYSA-N 0 0 427.534 1.633 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000033236886 556888582 /nfs/dbraw/zinc/88/85/82/556888582.db2.gz AYTOOZYFWCLPLW-UHFFFAOYSA-N 0 0 430.530 1.061 50 0 IDAARN CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 ZINC000072117824 556898434 /nfs/dbraw/zinc/89/84/34/556898434.db2.gz GUVCXNODEJQYQY-UHFFFAOYSA-N 0 0 425.537 1.981 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1 ZINC000072140630 556899324 /nfs/dbraw/zinc/89/93/24/556899324.db2.gz WVDYNIFNVXHWQR-UHFFFAOYSA-N 0 0 446.577 1.138 50 0 IDAARN O=C([C@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1)N1CCN(c2ccccc2)CC1 ZINC000033261599 556899504 /nfs/dbraw/zinc/89/95/04/556899504.db2.gz SRZHPEDDTJSQHC-FQEVSTJZSA-N 0 0 436.560 1.878 50 0 IDAARN O=C([C@@H]1CCCN(c2ccc(N3CCOCC3)nn2)C1)N1CCN(c2ccccc2)CC1 ZINC000033261598 556899601 /nfs/dbraw/zinc/89/96/01/556899601.db2.gz SRZHPEDDTJSQHC-HXUWFJFHSA-N 0 0 436.560 1.878 50 0 IDAARN O=C(NCCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000033261949 556900100 /nfs/dbraw/zinc/90/01/00/556900100.db2.gz GOPVCSHONIWIIT-GOSISDBHSA-N 0 0 429.498 1.530 50 0 IDAARN CC1=C(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)OCCO1 ZINC000019794850 556915939 /nfs/dbraw/zinc/91/59/39/556915939.db2.gz GRTGBANGHLOOCJ-IBGZPJMESA-N 0 0 429.517 1.802 50 0 IDAARN COc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c(OC)c1 ZINC000019811795 556919075 /nfs/dbraw/zinc/91/90/75/556919075.db2.gz ALAYFHYDYJKHDV-UHFFFAOYSA-N 0 0 447.557 1.814 50 0 IDAARN CC(C)(C)c1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCC(C(N)=O)CC2)cc1 ZINC000019820983 556924141 /nfs/dbraw/zinc/92/41/41/556924141.db2.gz WZDSCFGZVDLYGF-ROUUACIJSA-N 0 0 442.603 1.121 50 0 IDAARN COc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000019831393 556926533 /nfs/dbraw/zinc/92/65/33/556926533.db2.gz AORYIBZTEVBTRT-UHFFFAOYSA-N 0 0 446.454 1.486 50 0 IDAARN O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860577 556932822 /nfs/dbraw/zinc/93/28/22/556932822.db2.gz AJWITZYPJZNZAC-GOSISDBHSA-N 0 0 443.997 1.720 50 0 IDAARN COc1ccc(S(=O)(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1OC ZINC000019924116 556944379 /nfs/dbraw/zinc/94/43/79/556944379.db2.gz MVGZFUPVKZSXQY-UHFFFAOYSA-N 0 0 432.506 1.687 50 0 IDAARN CC(=O)c1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CCN(Cc4ccccc4)CC3)=[NH+]2)cc1 ZINC000019928966 556946907 /nfs/dbraw/zinc/94/69/07/556946907.db2.gz JWLWLDDLBLYHFM-OAQYLSRUSA-N 0 0 433.512 1.890 50 0 IDAARN CC(=O)c1ccc(NC(=O)[C@@H]2C=C([O-])NC(N3CCN(Cc4ccccc4)CC3)=[NH+]2)cc1 ZINC000019928964 556946963 /nfs/dbraw/zinc/94/69/63/556946963.db2.gz JWLWLDDLBLYHFM-NRFANRHFSA-N 0 0 433.512 1.890 50 0 IDAARN COC(=O)C[C@H](NC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)C(=O)OC ZINC000019938984 556953083 /nfs/dbraw/zinc/95/30/83/556953083.db2.gz 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Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCN2CCOCC2)c4=O)c1 ZINC000020061977 556976348 /nfs/dbraw/zinc/97/63/48/556976348.db2.gz DIZKIDJZGOCQKS-KRWDZBQOSA-N 0 0 438.532 1.325 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1nc(N)nc(Nc3ccccc3)n1)C2=O ZINC000020067422 556978382 /nfs/dbraw/zinc/97/83/82/556978382.db2.gz INWUYZYDBFASQN-ASSNKEHSSA-N 0 0 439.476 1.741 50 0 IDAARN Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267309 556981817 /nfs/dbraw/zinc/98/18/17/556981817.db2.gz JBRVOKFYRWTYCJ-SFHVURJKSA-N 0 0 432.484 1.977 50 0 IDAARN CC[C@@H](C)NC(=O)CCNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000097080079 556982571 /nfs/dbraw/zinc/98/25/71/556982571.db2.gz AQLVUEJSCFHRQE-CQSZACIVSA-N 0 0 449.577 1.490 50 0 IDAARN COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCCN2CCOCC2)c1 ZINC000020112378 556986647 /nfs/dbraw/zinc/98/66/47/556986647.db2.gz NNTPGKNNWWTCDH-HSZRJFAPSA-N 0 0 440.500 1.731 50 0 IDAARN CN(C)C(=O)c1c[nH]nc1-c1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)o1 ZINC000097124915 556991092 /nfs/dbraw/zinc/99/10/92/556991092.db2.gz BFSHEGVPIIGKEL-UHFFFAOYSA-N 0 0 430.490 1.277 50 0 IDAARN O=C(COC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000097124673 556991131 /nfs/dbraw/zinc/99/11/31/556991131.db2.gz KKZSVOUHMDMJMS-LJQANCHMSA-N 0 0 446.550 1.878 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCc2cnn(C)c2)c(C)c1C ZINC000076922180 556994014 /nfs/dbraw/zinc/99/40/14/556994014.db2.gz HZFNQGGOUKTXGH-HXUWFJFHSA-N 0 0 427.549 1.437 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(C(=O)OC)cc(C)nc2n(-c2ccccc2OC)c1=O ZINC000020167803 556994298 /nfs/dbraw/zinc/99/42/98/556994298.db2.gz XHYXTLYTXOODHM-UHFFFAOYSA-N 0 0 427.413 1.214 50 0 IDAARN CS(=O)(=O)c1cc(S(=O)(=O)N2CCN([C@@H]3CCSC3)CC2)c(Cl)s1 ZINC000097166137 556994767 /nfs/dbraw/zinc/99/47/67/556994767.db2.gz VATPXQSBVMKWOP-SNVBAGLBSA-N 0 0 431.026 1.617 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(Cc1cnn(C)c1C)CC2 ZINC000020212409 556999086 /nfs/dbraw/zinc/99/90/86/556999086.db2.gz 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O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023134441 557017335 /nfs/dbraw/zinc/01/73/35/557017335.db2.gz SXZOSGXVGJGWNL-UHFFFAOYSA-N 0 0 434.431 1.866 50 0 IDAARN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023134521 557017417 /nfs/dbraw/zinc/01/74/17/557017417.db2.gz HRYCUOVIPQBZML-ALCCZGGFSA-N 0 0 436.447 1.888 50 0 IDAARN O=C(c1cc(=O)c2ccccc2o1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 ZINC000023134468 557017462 /nfs/dbraw/zinc/01/74/62/557017462.db2.gz KJIDGJVUALZAAK-UHFFFAOYSA-N 0 0 434.431 1.866 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc(NC=O)c1 ZINC000032943313 557018458 /nfs/dbraw/zinc/01/84/58/557018458.db2.gz RBTXJDOSPPBXHP-UHFFFAOYSA-N 0 0 449.485 1.302 50 0 IDAARN Cc1ccc(CNC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc32)o1 ZINC000046004693 557019352 /nfs/dbraw/zinc/01/93/52/557019352.db2.gz ZUPYQUUYCYIJRD-UHFFFAOYSA-N 0 0 431.514 1.968 50 0 IDAARN COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1ccc3c(c1)OCO3)CC2 ZINC000010705385 557020092 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CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000048287362 557053250 /nfs/dbraw/zinc/05/32/50/557053250.db2.gz BBIGXVVFDDSEJU-NRFANRHFSA-N 0 0 425.533 1.524 50 0 IDAARN O=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000048288251 557053688 /nfs/dbraw/zinc/05/36/88/557053688.db2.gz GHFARSPWAHQPRP-WOJBJXKFSA-N 0 0 442.537 1.917 50 0 IDAARN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000048274360 557055712 /nfs/dbraw/zinc/05/57/12/557055712.db2.gz MQEWDWDYUZCUCV-KRWDZBQOSA-N 0 0 426.518 1.081 50 0 IDAARN Cc1oc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1S(=O)(=O)N1CCCC1 ZINC000048276383 557056343 /nfs/dbraw/zinc/05/63/43/557056343.db2.gz XNOIOOYBGMNMSC-UHFFFAOYSA-N 0 0 446.485 1.677 50 0 IDAARN O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000048278519 557057057 /nfs/dbraw/zinc/05/70/57/557057057.db2.gz IROXBXLUHXQRAT-KGLIPLIRSA-N 0 0 434.436 1.280 50 0 IDAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1 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O=C(NCc1ccccc1)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000033292388 557075596 /nfs/dbraw/zinc/07/55/96/557075596.db2.gz MFBJRVGKHYQVEU-UHFFFAOYSA-N 0 0 428.470 1.688 50 0 IDAARN Cc1nc2c(cnn2-c2cccc(Cl)c2)c(NCCN2CCN(S(C)(=O)=O)CC2)n1 ZINC000048368928 557076077 /nfs/dbraw/zinc/07/60/77/557076077.db2.gz ZZGHOKBPAJZNOR-UHFFFAOYSA-N 0 0 449.968 1.766 50 0 IDAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000023248396 557078200 /nfs/dbraw/zinc/07/82/00/557078200.db2.gz QQVFSLZDUAOLDS-QFIPXVFZSA-N 0 0 428.577 1.323 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000011317460 557084303 /nfs/dbraw/zinc/08/43/03/557084303.db2.gz JHSUQPBZHDETHJ-JOCHJYFZSA-N 0 0 438.440 1.822 50 0 IDAARN O=C([C@H]1CCC(=O)N(CCN2CCOCC2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000023339410 557085576 /nfs/dbraw/zinc/08/55/76/557085576.db2.gz OSWRPOQXDDUYQF-SFHVURJKSA-N 0 0 434.968 1.559 50 0 IDAARN COCCc1noc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC000049007572 557085915 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O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)Nc1cccc(Br)c1 ZINC000049399954 557095552 /nfs/dbraw/zinc/09/55/52/557095552.db2.gz ASVHMZXCVOJGNT-UHFFFAOYSA-N 0 0 433.266 1.129 50 0 IDAARN CCOc1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(N)=O)c1=O ZINC000049402439 557097960 /nfs/dbraw/zinc/09/79/60/557097960.db2.gz DVSBEZNOJCVUHI-UHFFFAOYSA-N 0 0 436.424 1.432 50 0 IDAARN COc1ccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1F ZINC000049402633 557097996 /nfs/dbraw/zinc/09/79/96/557097996.db2.gz REAPYDNQNPXWLA-UHFFFAOYSA-N 0 0 433.461 1.801 50 0 IDAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cnn1C ZINC000011337915 557100568 /nfs/dbraw/zinc/10/05/68/557100568.db2.gz WWAPIXPKIJGZAT-UHFFFAOYSA-N 0 0 427.324 1.638 50 0 IDAARN COc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4cc(C)on4)C[C@@]34C=C[C@@H]2O4)cc(OC)c1OC ZINC000085420755 557101544 /nfs/dbraw/zinc/10/15/44/557101544.db2.gz DBJBXZBUIBMHFA-GJDLODDASA-N 0 0 441.440 1.934 50 0 IDAARN COc1ccc(CCN2C[C@H](C(=O)NCC(C)(C)N3CCOCC3)CC2=O)cc1OC ZINC000023653585 557103173 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XMNFZZRTSOPNKD-UHFFFAOYSA-N 0 0 433.266 1.539 50 0 IDAARN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000011555672 557183603 /nfs/dbraw/zinc/18/36/03/557183603.db2.gz XGJZNPHWLSNHMF-UHFFFAOYSA-N 0 0 447.513 1.335 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)CC1 ZINC000000784318 557184903 /nfs/dbraw/zinc/18/49/03/557184903.db2.gz AGLPEPWRQTZUEN-UHFFFAOYSA-N 0 0 432.926 1.916 50 0 IDAARN O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024987904 557186810 /nfs/dbraw/zinc/18/68/10/557186810.db2.gz SGVGFHVWWJFVDV-OAQYLSRUSA-N 0 0 447.601 1.165 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1 ZINC000025053517 557191612 /nfs/dbraw/zinc/19/16/12/557191612.db2.gz FOBJUSHVMIKHRL-UHFFFAOYSA-N 0 0 429.502 1.851 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)COc1ccccc1 ZINC000100876864 557195394 /nfs/dbraw/zinc/19/53/94/557195394.db2.gz JRAPIPQEMFNWCL-ZZEZOPTASA-N 0 0 435.483 1.030 50 0 IDAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCC(NS(C)(=O)=O)CC3)c2c1C ZINC000025106606 557195466 /nfs/dbraw/zinc/19/54/66/557195466.db2.gz OVDLECDMSQFQPJ-UHFFFAOYSA-N 0 0 439.607 1.658 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc(C)c1 ZINC000100877402 557195710 /nfs/dbraw/zinc/19/57/10/557195710.db2.gz AGNVGIBQJCPCBX-VZCXRCSSSA-N 0 0 433.511 1.963 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)COc1ccccc1 ZINC000100877712 557197842 /nfs/dbraw/zinc/19/78/42/557197842.db2.gz DNEIYZOOFYTLLZ-VZCXRCSSSA-N 0 0 449.510 1.420 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1F ZINC000100877635 557197881 /nfs/dbraw/zinc/19/78/81/557197881.db2.gz WLSXWHCSCKRGHR-UZYVYHOESA-N 0 0 437.474 1.794 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000247975344 557199846 /nfs/dbraw/zinc/19/98/46/557199846.db2.gz ZTFCDTCGMMSZJI-RPLLJCPNSA-N 0 0 427.457 1.855 50 0 IDAARN COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O ZINC000025223351 557200125 /nfs/dbraw/zinc/20/01/25/557200125.db2.gz BPYYJUSFUZLVHV-MYYSRTQBSA-N 0 0 449.463 1.436 50 0 IDAARN O=C(CCC1CCCC1)N1CCN(CCNC(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000096838475 557205522 /nfs/dbraw/zinc/20/55/22/557205522.db2.gz AQNJQCQRONBOLZ-UHFFFAOYSA-N 0 0 425.533 1.768 50 0 IDAARN COc1cc2nc(CN3CCOCC3)n(CC(=O)N3CCCCCC3)c(=O)c2cc1OC ZINC000025426709 557209386 /nfs/dbraw/zinc/20/93/86/557209386.db2.gz JLDPQBJSRKHVAP-UHFFFAOYSA-N 0 0 444.532 1.649 50 0 IDAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)N1CCN(C(=O)c2ccco2)CC1 ZINC000011613626 557209510 /nfs/dbraw/zinc/20/95/10/557209510.db2.gz QXKHVUUCVSLUBK-AWEZNQCLSA-N 0 0 428.514 1.737 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)NCc3ccccc3Cl)c(=O)n3c2CCCC3)no1 ZINC000169763929 557211169 /nfs/dbraw/zinc/21/11/69/557211169.db2.gz CCWWNOXHUBDOBR-UHFFFAOYSA-N 0 0 443.891 1.929 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)Nc3cc(C)ccc3OC)c(=O)n3c2CCCC3)no1 ZINC000169764032 557211412 /nfs/dbraw/zinc/21/14/12/557211412.db2.gz VENMIPBPARIKFP-UHFFFAOYSA-N 0 0 439.472 1.914 50 0 IDAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)CNC(=O)c1cc(Cl)ccn1 ZINC000025522198 557213049 /nfs/dbraw/zinc/21/30/49/557213049.db2.gz LLDCPQUNISRJOI-UHFFFAOYSA-N 0 0 431.880 1.441 50 0 IDAARN COC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)[C@H]1COc2ccccc2O1)OCO3 ZINC000101035448 557214791 /nfs/dbraw/zinc/21/47/91/557214791.db2.gz RLQUFQGYBAAMLZ-MODMUFLJSA-N 0 0 428.422 1.872 50 0 IDAARN COC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)[C@H]1COc2ccccc2O1)OCCO3 ZINC000101035410 557214874 /nfs/dbraw/zinc/21/48/74/557214874.db2.gz WGRQDKBVCMEGCH-KTVWJZFRSA-N 0 0 442.449 1.914 50 0 IDAARN CS(=O)(=O)N1CCCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000025574841 557215371 /nfs/dbraw/zinc/21/53/71/557215371.db2.gz XSQVIOKJGDAMBJ-UHFFFAOYSA-N 0 0 438.575 1.290 50 0 IDAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000025748392 557224097 /nfs/dbraw/zinc/22/40/97/557224097.db2.gz ZCCJOWYLNYHIAG-JOCHJYFZSA-N 0 0 445.523 1.975 50 0 IDAARN CCCCN(C(=O)CSc1nnnn1-c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000010886176 557224655 /nfs/dbraw/zinc/22/46/55/557224655.db2.gz SVOIMOVROMNQGK-AWEZNQCLSA-N 0 0 439.563 1.579 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OC)c(S(N)(=O)=O)c2)c1C ZINC000011105529 557227095 /nfs/dbraw/zinc/22/70/95/557227095.db2.gz QCGARBZXRRXYGP-NSHDSACASA-N 0 0 438.458 1.502 50 0 IDAARN Cn1c2nc(N3CCc4ccccc4C3)n(CCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000000808491 557228287 /nfs/dbraw/zinc/22/82/87/557228287.db2.gz MKYMKRFEFDXBMN-UHFFFAOYSA-N 0 0 435.513 1.568 50 0 IDAARN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(CCN2CCOCC2)c1=N ZINC000000809651 557228939 /nfs/dbraw/zinc/22/89/39/557228939.db2.gz DOXBCNGHOKZNIB-SFHVURJKSA-N 0 0 426.517 1.703 50 0 IDAARN NC(=O)C1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 ZINC000011613365 557230525 /nfs/dbraw/zinc/23/05/25/557230525.db2.gz OBIDJKAZWPMMQT-HNNXBMFYSA-N 0 0 438.513 1.343 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NCc1ccccc1F ZINC000098213102 557236287 /nfs/dbraw/zinc/23/62/87/557236287.db2.gz ARKYLFLDDUXGCZ-UHFFFAOYSA-N 0 0 427.411 1.295 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)NCc1ccc(F)cc1 ZINC000098213189 557236652 /nfs/dbraw/zinc/23/66/52/557236652.db2.gz RSPUEJWYEBSCMM-UHFFFAOYSA-N 0 0 427.411 1.295 50 0 IDAARN Cc1ccnc(SCCCn2c(N3C[C@@H](C)O[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000018098501 557236772 /nfs/dbraw/zinc/23/67/72/557236772.db2.gz ZBDIBSQCYNYKJY-OKILXGFUSA-N 0 0 445.549 1.318 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(C)cc(=O)c1O)C(N)=O ZINC000604405927 557239167 /nfs/dbraw/zinc/23/91/67/557239167.db2.gz XDAHCMQFGLPHPM-KLRAXDNASA-N 0 0 432.473 1.906 50 0 biogenic IDAARN CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)CC1 ZINC000026456016 557241270 /nfs/dbraw/zinc/24/12/70/557241270.db2.gz KYAAHZKAGBSQIY-MRXNPFEDSA-N 0 0 425.551 1.269 50 0 IDAARN COc1ccc(OC)c(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)c1 ZINC000026533969 557243575 /nfs/dbraw/zinc/24/35/75/557243575.db2.gz YOWSGQIZAKBRNI-WOJGMQOQSA-N 0 0 425.441 1.806 50 0 IDAARN Cc1csc(=O)n1CCCC(=O)OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000026585809 557245573 /nfs/dbraw/zinc/24/55/73/557245573.db2.gz FGKUBISXYYXFNL-UHFFFAOYSA-N 0 0 438.506 1.074 50 0 IDAARN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000018179581 557245884 /nfs/dbraw/zinc/24/58/84/557245884.db2.gz SFOBJVPKVRHSEX-UHFFFAOYSA-N 0 0 425.508 1.998 50 0 IDAARN O=C(Nc1ccccc1)C1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000026799616 557249176 /nfs/dbraw/zinc/24/91/76/557249176.db2.gz KQPLWUSWBSYJFK-QGZVFWFLSA-N 0 0 446.529 1.029 50 0 IDAARN O=C(CNC(=O)OCc1ccccc1)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1 ZINC000390829943 557250413 /nfs/dbraw/zinc/25/04/13/557250413.db2.gz HPSGPQRHHNKDNP-UHFFFAOYSA-N 0 0 437.456 1.587 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000018265032 557254584 /nfs/dbraw/zinc/25/45/84/557254584.db2.gz LAFWUXLJFJNRDX-UHFFFAOYSA-N 0 0 430.482 1.571 50 0 IDAARN COc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccc(OC)cc2OC)c3=O)cc1 ZINC000027021287 557255233 /nfs/dbraw/zinc/25/52/33/557255233.db2.gz CMGXMMYSYLHYPA-YBFXNURJSA-N 0 0 437.477 1.676 50 0 IDAARN COC(=O)c1sc2ncn(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1C ZINC000000814792 557255643 /nfs/dbraw/zinc/25/56/43/557255643.db2.gz SLIPIBUCWSQVDY-UHFFFAOYSA-N 0 0 445.497 1.929 50 0 IDAARN CCOC(=O)c1s/c(=N/C(=O)CCS(=O)(=O)c2ccc(OC)cc2)n(C)c1C ZINC000101117526 557256904 /nfs/dbraw/zinc/25/69/04/557256904.db2.gz VFTVBMVMTVZRTH-VHEBQXMUSA-N 0 0 426.516 1.872 50 0 IDAARN O=C(CCc1ccccc1)N1CCC(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000027268910 557259404 /nfs/dbraw/zinc/25/94/04/557259404.db2.gz IQOGJRJWBPYJDH-UHFFFAOYSA-N 0 0 435.528 1.828 50 0 IDAARN C[C@H](CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)N1CCN(c2ccccc2)CC1 ZINC000101246247 557264743 /nfs/dbraw/zinc/26/47/43/557264743.db2.gz JQHJDEHVDMZRGK-NQIIRXRSSA-N 0 0 434.540 1.832 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCc3cc(S(N)(=O)=O)ccc31)CC2 ZINC000027551274 557265109 /nfs/dbraw/zinc/26/51/09/557265109.db2.gz BUTOKWBKMMXEKI-UHFFFAOYSA-N 0 0 431.514 1.299 50 0 IDAARN CN1C(=O)[C@H]2[C@H](C1=O)[C@H](c1cccs1)N1[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@@H](c3cccs3)N21 ZINC000100774581 557276259 /nfs/dbraw/zinc/27/62/59/557276259.db2.gz SPHHDFIPWOIWAC-FGZZBPHYSA-N 0 0 442.522 1.105 50 0 IDAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CSc1nnc(N)s1 ZINC000014013899 557282044 /nfs/dbraw/zinc/28/20/44/557282044.db2.gz RWZZAVQIDSZOQN-UHFFFAOYSA-N 0 0 431.521 1.123 50 0 IDAARN Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000014974882 557283197 /nfs/dbraw/zinc/28/31/97/557283197.db2.gz UFVRBSQAIVVFIJ-UHFFFAOYSA-N 0 0 441.557 1.895 50 0 IDAARN CCC[C@H]1C(=O)NCCN1C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000095451911 557293443 /nfs/dbraw/zinc/29/34/43/557293443.db2.gz CLZKPAFYSWNUOE-AWEZNQCLSA-N 0 0 432.340 1.245 50 0 IDAARN COc1ccc(C(=O)OCC(=O)Nc2ccnn2C(C)C)cc1S(=O)(=O)NC1CC1 ZINC000014084042 557299613 /nfs/dbraw/zinc/29/96/13/557299613.db2.gz QFVGLUUQTCJMLG-UHFFFAOYSA-N 0 0 436.490 1.709 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000014109846 557304023 /nfs/dbraw/zinc/30/40/23/557304023.db2.gz XJWMSDDCXXTRDY-UHFFFAOYSA-N 0 0 431.470 1.570 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000014122174 557306063 /nfs/dbraw/zinc/30/60/63/557306063.db2.gz ARBBLNQLVVSVLL-UHFFFAOYSA-N 0 0 446.489 1.023 50 0 IDAARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000014135411 557309249 /nfs/dbraw/zinc/30/92/49/557309249.db2.gz MMEJCLBULUBJBT-CWRNSKLLSA-N 0 0 428.441 1.669 50 0 IDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NC(=O)NCCC1=CCCCC1 ZINC000014140556 557310170 /nfs/dbraw/zinc/31/01/70/557310170.db2.gz LLJFROLMBWBCHI-UHFFFAOYSA-N 0 0 436.534 1.349 50 0 IDAARN CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102146924 557313577 /nfs/dbraw/zinc/31/35/77/557313577.db2.gz NIVGLXXJIRMIAK-IYBDPMFKSA-N 0 0 443.500 1.729 50 0 IDAARN CCOC(=O)CCCNC(=O)CN1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 ZINC000032909344 557317400 /nfs/dbraw/zinc/31/74/00/557317400.db2.gz BDPLZDJWFJIYLL-HXUWFJFHSA-N 0 0 439.940 1.631 50 0 IDAARN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000102290060 557317759 /nfs/dbraw/zinc/31/77/59/557317759.db2.gz XWTJMWUHTIHIGX-IRXDYDNUSA-N 0 0 435.546 1.307 50 0 IDAARN CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc21 ZINC000032943705 557317885 /nfs/dbraw/zinc/31/78/85/557317885.db2.gz AVEZRCAHJBDKCY-UHFFFAOYSA-N 0 0 427.529 1.593 50 0 IDAARN O=C(CSc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCN1CCOCC1 ZINC000033011647 557320862 /nfs/dbraw/zinc/32/08/62/557320862.db2.gz KDORBZCAGVXZHU-UHFFFAOYSA-N 0 0 425.511 1.470 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000033028334 557321618 /nfs/dbraw/zinc/32/16/18/557321618.db2.gz PEKWXEMBVPWZPH-CGTJXYLNSA-N 0 0 440.587 1.804 50 0 IDAARN C[C@@H]1C[S@@](=O)CCN1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000072308399 557327841 /nfs/dbraw/zinc/32/78/41/557327841.db2.gz FGTZRRPWEONOOD-LOKFHWFJSA-N 0 0 448.010 1.906 50 0 IDAARN COC(=O)c1ncn2c1C(=O)N(Cc1cccnc1)[C@@](C)(C(=O)NCc1ccccc1)C2 ZINC000033265913 557328342 /nfs/dbraw/zinc/32/83/42/557328342.db2.gz JKGFWIHXSGMYEC-HSZRJFAPSA-N 0 0 433.468 1.796 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)s1 ZINC000014241620 557329019 /nfs/dbraw/zinc/32/90/19/557329019.db2.gz MURHJUCCDXYAJJ-UHFFFAOYSA-N 0 0 428.557 1.607 50 0 IDAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014242445 557329152 /nfs/dbraw/zinc/32/91/52/557329152.db2.gz LSBTZWZVDULUOO-MRXNPFEDSA-N 0 0 446.573 1.755 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2csc(C)n2)cc1OC ZINC000033279583 557331323 /nfs/dbraw/zinc/33/13/23/557331323.db2.gz JCCGMRVWGIPECN-OAHLLOKOSA-N 0 0 425.532 1.938 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000014359203 557336281 /nfs/dbraw/zinc/33/62/81/557336281.db2.gz VECZETCSHATDSG-UHFFFAOYSA-N 0 0 426.380 1.645 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102704760 557366171 /nfs/dbraw/zinc/36/61/71/557366171.db2.gz NJZJPHWZCWDYHS-CALCHBBNSA-N 0 0 445.447 1.107 50 0 IDAARN Cn1ncc2c1ncnc2SCC(=O)NCC(=O)Nc1ccccc1Br ZINC000011685003 557366611 /nfs/dbraw/zinc/36/66/11/557366611.db2.gz AHPPINBJIBTACU-UHFFFAOYSA-N 0 0 435.307 1.973 50 0 IDAARN COc1ccc(-c2n[nH]cc2C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000072329286 557366889 /nfs/dbraw/zinc/36/68/89/557366889.db2.gz WMHCBHNVFNSBRP-UHFFFAOYSA-N 0 0 430.486 1.714 50 0 IDAARN COc1ccc(C)cc1C(=O)Cn1c2ccc(S(=O)(=O)N3CCOCC3)cc2oc1=O ZINC000011689613 557367770 /nfs/dbraw/zinc/36/77/70/557367770.db2.gz URQUDNVUPWSJFY-UHFFFAOYSA-N 0 0 446.481 1.815 50 0 IDAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCN(CCOc2ccccc2)CC1 ZINC000023642189 557370140 /nfs/dbraw/zinc/37/01/40/557370140.db2.gz TUPBWXWNUQNFFG-UHFFFAOYSA-N 0 0 442.541 1.338 50 0 IDAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(Cc3ccncc3)CC1)C2=O ZINC000023653565 557370603 /nfs/dbraw/zinc/37/06/03/557370603.db2.gz NOHZOGBJXRYYRJ-UZUQRXQVSA-N 0 0 427.549 1.863 50 0 IDAARN CS(=O)(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000023695428 557371752 /nfs/dbraw/zinc/37/17/52/557371752.db2.gz XFEGWXPAZSMNRN-UHFFFAOYSA-N 0 0 444.481 1.515 50 0 IDAARN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023752293 557375727 /nfs/dbraw/zinc/37/57/27/557375727.db2.gz LNZYMPBJZCGNNZ-LBPRGKRZSA-N 0 0 439.438 1.078 50 0 IDAARN COc1ccc(-c2nnc3ccc(OCCNS(=O)(=O)c4cccnc4)nn32)cc1 ZINC000011694564 557392549 /nfs/dbraw/zinc/39/25/49/557392549.db2.gz GQVCRKKJQGTXTC-UHFFFAOYSA-N 0 0 426.458 1.552 50 0 IDAARN CCOC(=O)C1=C(N)Nc2cc(=O)nc(OC)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100252299 557394256 /nfs/dbraw/zinc/39/42/56/557394256.db2.gz NWYSMTBSPPQXKR-INIZCTEOSA-N 0 0 432.433 1.026 50 0 IDAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)NC3=NCCS3)n2C)cc1 ZINC000013956050 557397971 /nfs/dbraw/zinc/39/79/71/557397971.db2.gz FSZSCOJMJVSHLI-UHFFFAOYSA-N 0 0 434.547 1.107 50 0 IDAARN CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccnc(C)n3)c2)CC1 ZINC000408525294 557414142 /nfs/dbraw/zinc/41/41/42/557414142.db2.gz UOZDQHYSLSHRQG-QGZVFWFLSA-N 0 0 433.534 1.115 50 0 IDAARN O=C1C[C@H](N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C(=O)N1Cc1ccccc1 ZINC000103176424 557425535 /nfs/dbraw/zinc/42/55/35/557425535.db2.gz SPWNIQHFUQAPHI-FQEVSTJZSA-N 0 0 445.516 1.896 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c2c(nc1N1CCC[C@@H](C)C1)n(C)c(=O)n(C)c2=O ZINC000103463569 557437642 /nfs/dbraw/zinc/43/76/42/557437642.db2.gz JLUVWMBXPDLSCJ-WBVHZDCISA-N 0 0 441.532 1.418 50 0 IDAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCN(C)CC3)n2C)cc1Cl ZINC000015019498 557457262 /nfs/dbraw/zinc/45/72/62/557457262.db2.gz SRSQXJZBEYWDOS-UHFFFAOYSA-N 0 0 436.969 1.824 50 0 IDAARN COCCN(C[C@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1cccc(F)c1 ZINC000105038768 557473354 /nfs/dbraw/zinc/47/33/54/557473354.db2.gz HPOKLKIGCJOYPB-VQTJNVASSA-N 0 0 426.529 1.791 50 0 IDAARN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105379586 557496640 /nfs/dbraw/zinc/49/66/40/557496640.db2.gz RPQFRVHPUSVADI-VBKCDYCISA-N 0 0 433.508 1.647 50 0 biogenic IDAARN Cc1ccc2c(c1)[C@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000105380435 557497006 /nfs/dbraw/zinc/49/70/06/557497006.db2.gz FJRWKXNZDUURGR-AEYPDILWSA-N 0 0 449.463 1.025 50 0 biogenic IDAARN CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)N1CCN(C)CC1 ZINC000019831911 557509047 /nfs/dbraw/zinc/50/90/47/557509047.db2.gz FASMTHBRQCSWKX-UHFFFAOYSA-N 0 0 432.550 1.103 50 0 IDAARN COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)c1 ZINC000012030635 557523976 /nfs/dbraw/zinc/52/39/76/557523976.db2.gz FBSMYGBPMOGQIH-INIZCTEOSA-N 0 0 439.511 1.917 50 0 IDAARN O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031053 557524089 /nfs/dbraw/zinc/52/40/89/557524089.db2.gz OZFGMAFEPZMZGG-OAHLLOKOSA-N 0 0 429.466 1.856 50 0 IDAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1nccs1 ZINC000003306792 557524610 /nfs/dbraw/zinc/52/46/10/557524610.db2.gz NHHLTJUJCLJORB-ZZXKWVIFSA-N 0 0 438.556 1.690 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000012029844 557524931 /nfs/dbraw/zinc/52/49/31/557524931.db2.gz MQQFXCIQIADXBJ-GOSISDBHSA-N 0 0 436.511 1.858 50 0 IDAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029917 557525067 /nfs/dbraw/zinc/52/50/67/557525067.db2.gz GUDVLUAJTNHNPU-MRXNPFEDSA-N 0 0 437.495 1.671 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@@H]2OCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012080760 557527465 /nfs/dbraw/zinc/52/74/65/557527465.db2.gz MSVWMDQTFPAFQT-IBGZPJMESA-N 0 0 431.514 1.083 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCCCc2ccccc2)cc1 ZINC000012080772 557527482 /nfs/dbraw/zinc/52/74/82/557527482.db2.gz WGJGYQWDIOELAO-HXUWFJFHSA-N 0 0 445.541 1.207 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012140226 557528045 /nfs/dbraw/zinc/52/80/45/557528045.db2.gz KIOAMXIDKSPAMG-LJQANCHMSA-N 0 0 449.504 1.304 50 0 IDAARN COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)NCCN2CCOCC2)cc1OC ZINC000025179996 557529087 /nfs/dbraw/zinc/52/90/87/557529087.db2.gz GFOFPUXRJLBUHX-SAPNQHFASA-N 0 0 429.473 1.516 50 0 IDAARN CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000106918830 557533902 /nfs/dbraw/zinc/53/39/02/557533902.db2.gz CRKDBJSCTDINCF-HRCADAONSA-N 0 0 426.535 1.802 50 0 IDAARN COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2cccc(OC)c2OC)c1=O ZINC000044841064 557539276 /nfs/dbraw/zinc/53/92/76/557539276.db2.gz MRVVYAWHJCKQFD-UHFFFAOYSA-N 0 0 441.484 1.533 50 0 IDAARN Cc1csc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000044892691 557539905 /nfs/dbraw/zinc/53/99/05/557539905.db2.gz JFMYOJALKLLJNM-UHFFFAOYSA-N 0 0 440.522 1.842 50 0 IDAARN COc1ccccc1OCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000044916578 557540646 /nfs/dbraw/zinc/54/06/46/557540646.db2.gz MBXOROLZLRTGAZ-UHFFFAOYSA-N 0 0 433.486 1.369 50 0 IDAARN Cn1c(=O)c(-c2noc(C(=O)NCc3cccs3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946119 557550770 /nfs/dbraw/zinc/55/07/70/557550770.db2.gz FOMBPMUOWFMGGX-UHFFFAOYSA-N 0 0 428.405 1.112 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCCc3ccccc3)n2)nn(-c2ccccc2)c1=O ZINC000045945700 557553944 /nfs/dbraw/zinc/55/39/44/557553944.db2.gz JOIPHVUIUIURIY-UHFFFAOYSA-N 0 0 432.440 1.437 50 0 IDAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3nc4cccnc4n(C)c3=O)C2)c1OC ZINC000045967523 557557208 /nfs/dbraw/zinc/55/72/08/557557208.db2.gz TVTCJAKTBBNOAQ-INIZCTEOSA-N 0 0 437.500 1.879 50 0 IDAARN O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)NCc1ccc2c(c1)OCO2 ZINC000045970247 557557884 /nfs/dbraw/zinc/55/78/84/557557884.db2.gz SQZRXNUBEZKCRP-UHFFFAOYSA-N 0 0 427.486 1.888 50 0 IDAARN O=C(Cn1cnc2nc(N3CCSCC3)sc2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000045970641 557558074 /nfs/dbraw/zinc/55/80/74/557558074.db2.gz GFWXBVWNQWFYAE-UHFFFAOYSA-N 0 0 445.526 1.816 50 0 IDAARN Cc1noc(C)c1CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1 ZINC000040154100 557705388 /nfs/dbraw/zinc/70/53/88/557705388.db2.gz PSHQNOYLXBBAJN-UHFFFAOYSA-N 0 0 436.534 1.935 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccccc2F)c(=O)n([C@H](C)c2ccccc2)c1=O ZINC000040402759 557721462 /nfs/dbraw/zinc/72/14/62/557721462.db2.gz ZHQJDIARKCDZGE-OAHLLOKOSA-N 0 0 426.448 1.909 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)CCCNC(=O)C2CCC2)cc1 ZINC000225442919 557723195 /nfs/dbraw/zinc/72/31/95/557723195.db2.gz ATLLSSJTEDYFTC-UHFFFAOYSA-N 0 0 438.550 1.030 50 0 IDAARN CO[C@H]1C[C@H](C(=O)N2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)N(C(C)=O)C1 ZINC000225546769 557740057 /nfs/dbraw/zinc/74/00/57/557740057.db2.gz SUOOVCUVNFONRV-AYOQOUSVSA-N 0 0 427.505 1.578 50 0 IDAARN Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)cn1C ZINC000225628328 557753968 /nfs/dbraw/zinc/75/39/68/557753968.db2.gz TWMTWLNYRUYQSP-CQSZACIVSA-N 0 0 425.486 1.001 50 0 IDAARN COc1cc([C@@H]2CN(C(=O)NC(C)C)C[C@@H]2C(=O)N2CCOCC2)cc(OC)c1OC ZINC000096211430 557768641 /nfs/dbraw/zinc/76/86/41/557768641.db2.gz UOVYKTOPYIBVTF-IRXDYDNUSA-N 0 0 435.521 1.705 50 0 IDAARN COc1cc([C@H]2CN(C(=O)NC(C)C)C[C@@H]2C(=O)N2CCOCC2)cc(OC)c1OC ZINC000096211429 557768681 /nfs/dbraw/zinc/76/86/81/557768681.db2.gz UOVYKTOPYIBVTF-SJORKVTESA-N 0 0 435.521 1.705 50 0 IDAARN COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CS(=O)(=O)N(C)C ZINC000225738215 557770896 /nfs/dbraw/zinc/77/08/96/557770896.db2.gz MMRLPRGAINODCM-INIZCTEOSA-N 0 0 441.550 1.707 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CC(C)C)C2=O)cc1 ZINC000012401443 557820949 /nfs/dbraw/zinc/82/09/49/557820949.db2.gz KGFADPZYPXOIGE-HNNXBMFYSA-N 0 0 436.412 1.390 50 0 IDAARN CC(C)c1ccc(NC=c2c(=O)c(=O)c(=CNc3ccc(C(C)C)cc3)c(=O)c2=O)cc1 ZINC000685944606 557839220 /nfs/dbraw/zinc/83/92/20/557839220.db2.gz XKCFDGIDCLQXFT-UHFFFAOYSA-N 0 0 430.504 1.950 50 0 IDAARN O=C(c1cnc(C2OCCO2)s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000241316825 557846225 /nfs/dbraw/zinc/84/62/25/557846225.db2.gz LVESSAVFRPNIKS-UHFFFAOYSA-N 0 0 427.479 1.474 50 0 IDAARN CCOC(=O)c1cnn2c1nccc2C(=O)N1[C@@H](C(=O)OCC)CC[C@H]1C(=O)OCC ZINC000241684842 557846865 /nfs/dbraw/zinc/84/68/65/557846865.db2.gz QFQOFJXIGVKCKH-GASCZTMLSA-N 0 0 432.433 1.005 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708840 557855121 /nfs/dbraw/zinc/85/51/21/557855121.db2.gz LXNYAPRHCRWOLZ-LJQANCHMSA-N 0 0 446.504 1.640 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccccc3F)c2)CC1 ZINC000018825880 557860646 /nfs/dbraw/zinc/86/06/46/557860646.db2.gz WSQIIATYALQHCG-UHFFFAOYSA-N 0 0 433.505 1.651 50 0 IDAARN COC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(Br)cc2)n1C ZINC000001388303 562921566 /nfs/dbraw/zinc/92/15/66/562921566.db2.gz XSXRUJUQQDVQJI-UHFFFAOYSA-N 0 0 435.325 1.321 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CCCCC1 ZINC000001839653 562924809 /nfs/dbraw/zinc/92/48/09/562924809.db2.gz TXDFOUIIROWEGL-GOSISDBHSA-N 0 0 440.378 1.584 50 0 IDAARN COC(=O)CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 ZINC000002405079 562927449 /nfs/dbraw/zinc/92/74/49/562927449.db2.gz OQDBMGNDSYELAE-ZDUSSCGKSA-N 0 0 425.463 1.825 50 0 aggregator IDAARN COc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000002631423 562928798 /nfs/dbraw/zinc/92/87/98/562928798.db2.gz IGNVGJMNSYBYJG-UHFFFAOYSA-N 0 0 434.514 1.584 50 0 IDAARN CCc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1 ZINC000002646435 562929121 /nfs/dbraw/zinc/92/91/21/562929121.db2.gz AKIHGSNSABPWGR-UHFFFAOYSA-N 0 0 428.470 1.979 50 0 IDAARN CSc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000002645300 562929171 /nfs/dbraw/zinc/92/91/71/562929171.db2.gz SACMKZRJXXOYTM-UHFFFAOYSA-N 0 0 435.527 1.721 50 0 IDAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)cc1 ZINC000002954162 562931207 /nfs/dbraw/zinc/93/12/07/562931207.db2.gz YBARFZYJHAIRSG-UHFFFAOYSA-N 0 0 437.562 1.407 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000003209771 562932801 /nfs/dbraw/zinc/93/28/01/562932801.db2.gz UHUAYZYOHDEIKV-UHFFFAOYSA-N 0 0 437.543 1.974 50 0 IDAARN Cc1c(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003234186 562933142 /nfs/dbraw/zinc/93/31/42/562933142.db2.gz CSWZMGCSVJBOKX-MRXNPFEDSA-N 0 0 436.468 1.785 50 0 IDAARN Cc1ccc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)cc1 ZINC000003273632 562933551 /nfs/dbraw/zinc/93/35/51/562933551.db2.gz YHFYXIRUWAXQFG-UGSOOPFHSA-N 0 0 440.905 1.858 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000003301922 562933901 /nfs/dbraw/zinc/93/39/01/562933901.db2.gz YYATVDYAOOAVRM-UHFFFAOYSA-N 0 0 438.527 1.551 50 0 IDAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000003361912 562934836 /nfs/dbraw/zinc/93/48/36/562934836.db2.gz LQLZZLCAAQVNDL-OAHLLOKOSA-N 0 0 439.921 1.662 50 0 IDAARN C[C@]1(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCS(=O)(=O)C1 ZINC000003422567 562935634 /nfs/dbraw/zinc/93/56/34/562935634.db2.gz QAUHMGVOCAGJCO-KRWDZBQOSA-N 0 0 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ZINC000004004295 562940690 /nfs/dbraw/zinc/94/06/90/562940690.db2.gz BOAMWINXUQGXCU-LJQANCHMSA-N 0 0 425.489 1.704 50 0 IDAARN O=C(C[C@@H]1NC(=O)NC1=O)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000004035265 562941042 /nfs/dbraw/zinc/94/10/42/562941042.db2.gz XWSWDEORCUWFLL-KRWDZBQOSA-N 0 0 430.505 1.968 50 0 IDAARN O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000004035309 562941128 /nfs/dbraw/zinc/94/11/28/562941128.db2.gz QWOOJPQQRUAOLJ-UHFFFAOYSA-N 0 0 436.403 1.221 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccccc3)CC2)cc1 ZINC000004164233 562942463 /nfs/dbraw/zinc/94/24/63/562942463.db2.gz DZTYQSRGRXUANV-UHFFFAOYSA-N 0 0 432.498 1.450 50 0 IDAARN COC(=O)C1CCN(C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)CC1 ZINC000004164434 562942477 /nfs/dbraw/zinc/94/24/77/562942477.db2.gz JBWXQKZOYGBRID-OAHLLOKOSA-N 0 0 425.869 1.394 50 0 IDAARN COc1cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1C ZINC000005966022 562945543 /nfs/dbraw/zinc/94/55/43/562945543.db2.gz 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IDAARN CC(=O)c1cccc(NC(=O)CCn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c1 ZINC000015777548 568824847 /nfs/dbraw/zinc/82/48/47/568824847.db2.gz RUSLAUGFQUDUAC-UHFFFAOYSA-N 0 0 434.518 1.752 50 0 IDAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCN4CCOCC4)C3)ccc21 ZINC000015784453 568827420 /nfs/dbraw/zinc/82/74/20/568827420.db2.gz MLQWEDYNAAJFOG-GOSISDBHSA-N 0 0 434.562 1.027 50 0 IDAARN Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCCN4CCCC4=O)C3)ccc21 ZINC000015784410 568827475 /nfs/dbraw/zinc/82/74/75/568827475.db2.gz IRBQISHIQQHJLQ-SFHVURJKSA-N 0 0 446.573 1.708 50 0 IDAARN O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC[C@H]1CCCO1 ZINC000085645349 568829828 /nfs/dbraw/zinc/82/98/28/568829828.db2.gz BXUZMDRXSGANII-MRXNPFEDSA-N 0 0 435.550 1.681 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NCc1ccc2c(c1)OCO2 ZINC000085645611 568830537 /nfs/dbraw/zinc/83/05/37/568830537.db2.gz GTAMPRKAKRIEHV-UHFFFAOYSA-N 0 0 445.501 1.507 50 0 IDAARN CCOC(=O)C1CCN(C(=O)Cn2c3cc(C(=O)N4CCCC4)ccc3oc2=O)CC1 ZINC000085648635 568830780 /nfs/dbraw/zinc/83/07/80/568830780.db2.gz HKCLWLHADNTBHX-UHFFFAOYSA-N 0 0 429.473 1.632 50 0 IDAARN CCN1CCN(S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC(=O)N2CCCC2)CC1 ZINC000085651632 568831498 /nfs/dbraw/zinc/83/14/98/568831498.db2.gz JLNSNZQFQXXOTR-UHFFFAOYSA-N 0 0 438.575 1.012 50 0 IDAARN Cc1ccnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)c1 ZINC000085650971 568831685 /nfs/dbraw/zinc/83/16/85/568831685.db2.gz DXDJSUXYKKGNMX-MRXNPFEDSA-N 0 0 445.545 1.994 50 0 IDAARN COC(=O)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccco4)c(=O)n32)cc1 ZINC000001467048 568836620 /nfs/dbraw/zinc/83/66/20/568836620.db2.gz UMPBOSVMJAMGIS-QMJOVRGKSA-N 0 0 438.461 1.788 50 0 IDAARN Cc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000100584577 568837157 /nfs/dbraw/zinc/83/71/57/568837157.db2.gz VFAKRQBBMZMZJW-INIZCTEOSA-N 0 0 433.511 1.646 50 0 IDAARN O=C([C@H](Cc1ccccc1)n1cnnn1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000026096767 568839132 /nfs/dbraw/zinc/83/91/32/568839132.db2.gz 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CCOC(=O)N1CCN(C(=O)CSc2nnc(NC(=O)NC(C)(C)C)s2)CC1 ZINC000015882705 568857292 /nfs/dbraw/zinc/85/72/92/568857292.db2.gz ZSYQOJHFZIRRNJ-UHFFFAOYSA-N 0 0 430.556 1.851 50 0 IDAARN CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1ccc(OC)cc1OC ZINC000015883406 568857632 /nfs/dbraw/zinc/85/76/32/568857632.db2.gz TUMWGGBLIAWZJO-UHFFFAOYSA-N 0 0 444.513 1.943 50 0 IDAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000015883630 568857724 /nfs/dbraw/zinc/85/77/24/568857724.db2.gz KBBUCIWQIBVYSK-ZIAGYGMSSA-N 0 0 434.562 1.703 50 0 IDAARN O=S(=O)(c1cccs1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000015884096 568857941 /nfs/dbraw/zinc/85/79/41/568857941.db2.gz CMJUBFDYGYAZPP-UHFFFAOYSA-N 0 0 427.515 1.783 50 0 IDAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000015883729 568857951 /nfs/dbraw/zinc/85/79/51/568857951.db2.gz SWPCZJIPNBQSTI-OKILXGFUSA-N 0 0 434.562 1.559 50 0 IDAARN Cc1nnc2c(N3CC[C@H](NS(=O)(=O)c4ccccc4Br)C3)nccn12 ZINC000575414708 568862449 /nfs/dbraw/zinc/86/24/49/568862449.db2.gz WGCMSLJCPIOQLQ-LBPRGKRZSA-N 0 0 437.323 1.752 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000016020407 568862965 /nfs/dbraw/zinc/86/29/65/568862965.db2.gz NOKJVMXWDMWPBJ-GDBMZVCRSA-N 0 0 439.468 1.598 50 0 IDAARN CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)C1CCC1 ZINC000012944762 568870605 /nfs/dbraw/zinc/87/06/05/568870605.db2.gz USFUSOWIDKQQBS-UHFFFAOYSA-N 0 0 429.926 1.558 50 0 IDAARN O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012946329 568871340 /nfs/dbraw/zinc/87/13/40/568871340.db2.gz OZXOZJXDCDEUNF-UHFFFAOYSA-N 0 0 429.420 1.400 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)c3ccco3)C2)s1 ZINC000012947490 568871499 /nfs/dbraw/zinc/87/14/99/568871499.db2.gz JEXOJSROMRMOPD-AWEZNQCLSA-N 0 0 425.532 1.596 50 0 IDAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012950038 568871954 /nfs/dbraw/zinc/87/19/54/568871954.db2.gz ZNAQSKINMUUMQF-JTQLQIEISA-N 0 0 431.975 1.302 50 0 IDAARN CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 ZINC000026357089 568877159 /nfs/dbraw/zinc/87/71/59/568877159.db2.gz KOKKPBHEFRTFJY-UHFFFAOYSA-N 0 0 427.567 1.707 50 0 IDAARN O=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(F)c(F)c1 ZINC000575605764 568878014 /nfs/dbraw/zinc/87/80/14/568878014.db2.gz FDGKGHXUKGLGKP-UHFFFAOYSA-N 0 0 440.476 1.065 50 0 IDAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3nc(N(C)C)nc(N4CCCC4)n3)cc2)co1 ZINC000575606271 568878067 /nfs/dbraw/zinc/87/80/67/568878067.db2.gz HCPSJCRFRIMSQW-UHFFFAOYSA-N 0 0 443.533 1.980 50 0 IDAARN O=C(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000575606906 568878228 /nfs/dbraw/zinc/87/82/28/568878228.db2.gz GXOGTEMZSVSQDP-ZDUSSCGKSA-N 0 0 436.502 1.064 50 0 IDAARN O=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000575608396 568878448 /nfs/dbraw/zinc/87/84/48/568878448.db2.gz SYCGVMBJFUJBEE-UHFFFAOYSA-N 0 0 438.941 1.440 50 0 IDAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)NCc4ccnc(N5CCOCC5)c4)C3)ncn2)n1 ZINC000575609132 568878673 /nfs/dbraw/zinc/87/86/73/568878673.db2.gz JMKFICSQCOYKKB-UHFFFAOYSA-N 0 0 448.531 1.263 50 0 IDAARN Cc1nccc(O[C@@H]2CCCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)C2)n1 ZINC000575609521 568878910 /nfs/dbraw/zinc/87/89/10/568878910.db2.gz MQWNTLGYGKOMJF-QGZVFWFLSA-N 0 0 428.514 1.852 50 0 IDAARN CC(=O)c1ccc(N2CCN(C(=O)C3CN(c4cc(-n5cncn5)ncn4)C3)CC2)cc1 ZINC000575610252 568878953 /nfs/dbraw/zinc/87/89/53/568878953.db2.gz UZBJMEVJUBHIMM-UHFFFAOYSA-N 0 0 432.488 1.045 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H](Oc2ncccn2)C1 ZINC000575613121 568879664 /nfs/dbraw/zinc/87/96/64/568879664.db2.gz PAZHFZDNVCYOCB-QGZVFWFLSA-N 0 0 432.502 1.181 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)CC1 ZINC000575614050 568879871 /nfs/dbraw/zinc/87/98/71/568879871.db2.gz VSKPMXPVKDOMEK-AWEZNQCLSA-N 0 0 447.355 1.281 50 0 IDAARN CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000575616565 568881440 /nfs/dbraw/zinc/88/14/40/568881440.db2.gz RSSYSXTWYYTUPE-UHFFFAOYSA-N 0 0 445.485 1.382 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 ZINC000575616545 568881450 /nfs/dbraw/zinc/88/14/50/568881450.db2.gz RHVQQLPKLNOMEA-UHFFFAOYSA-N 0 0 448.423 1.413 50 0 IDAARN CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@@H](n3cnc4ccccc4c3=O)C2)s1 ZINC000575618212 568882063 /nfs/dbraw/zinc/88/20/63/568882063.db2.gz UGDLVIQMDUMFEM-CYBMUJFWSA-N 0 0 433.515 1.837 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(F)ccc2F)cn1C ZINC000035478306 568882509 /nfs/dbraw/zinc/88/25/09/568882509.db2.gz IGLJJBGCDUMPOZ-HNNXBMFYSA-N 0 0 427.429 1.882 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2F)cn1C ZINC000035478315 568882691 /nfs/dbraw/zinc/88/26/91/568882691.db2.gz QVKDJSRSINRHPJ-OAHLLOKOSA-N 0 0 427.429 1.882 50 0 IDAARN COCCn1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)OCc2ccccc2)c(=O)n1C ZINC000009713168 568884134 /nfs/dbraw/zinc/88/41/34/568884134.db2.gz BQSRWHRLHCZNPH-UHFFFAOYSA-N 0 0 439.472 1.156 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)N3CCc4ccccc4C3)n2)nn(-c2ccccc2)c1=O ZINC000035481684 568884789 /nfs/dbraw/zinc/88/47/89/568884789.db2.gz LVCBRFKDRGRHEY-UHFFFAOYSA-N 0 0 444.451 1.663 50 0 IDAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)cc2F)C[C@H](C)O1 ZINC000229762288 568886823 /nfs/dbraw/zinc/88/68/23/568886823.db2.gz KTSVMSVSZGQXEU-IJEWVQPXSA-N 0 0 428.530 1.985 50 0 IDAARN Cc1cc(C)nc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000006320623 568886985 /nfs/dbraw/zinc/88/69/85/568886985.db2.gz CMGHSQJNUGUNRO-UHFFFAOYSA-N 0 0 429.550 1.859 50 0 IDAARN Cc1nccn1-c1cc(N2CCN(C(=O)c3cc(-n4cccn4)nc(C)n3)CC2)ncn1 ZINC000090607686 568890088 /nfs/dbraw/zinc/89/00/88/568890088.db2.gz AXYLAUNOKWLRSO-UHFFFAOYSA-N 0 0 430.476 1.217 50 0 IDAARN Cc1c(NC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000090608511 568891121 /nfs/dbraw/zinc/89/11/21/568891121.db2.gz OPMJVAMJAQHTIL-KRWDZBQOSA-N 0 0 426.498 1.912 50 0 IDAARN COCCCNC(=O)Cn1c(=O)c2ccccc2nc1N1CCN(c2ccccc2)CC1 ZINC000090610196 568892015 /nfs/dbraw/zinc/89/20/15/568892015.db2.gz ZGOHLAVBDYRIDX-UHFFFAOYSA-N 0 0 435.528 1.876 50 0 IDAARN C[C@@H]1c2cc(NC(=O)C(=O)NC[C@H](O)c3ccc4c(c3)CCO4)cc3c2N(CCC3)C1=O ZINC000090610677 568892225 /nfs/dbraw/zinc/89/22/25/568892225.db2.gz DUFCGTNFYFJYME-YJYMSZOUSA-N 0 0 435.480 1.806 50 0 IDAARN O=C(CN1CCN(C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1)Nc1ccc(F)cc1 ZINC000012980711 568893594 /nfs/dbraw/zinc/89/35/94/568893594.db2.gz RTBVTMAYSNUMIV-UHFFFAOYSA-N 0 0 431.512 1.492 50 0 IDAARN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012984079 568895412 /nfs/dbraw/zinc/89/54/12/568895412.db2.gz FYOUJMWWDWDTSH-OLZOCXBDSA-N 0 0 449.460 1.396 50 0 IDAARN Cn1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)c1 ZINC000013005601 568899294 /nfs/dbraw/zinc/89/92/94/568899294.db2.gz CVRHAGFHOWRQLD-UHFFFAOYSA-N 0 0 441.557 1.987 50 0 IDAARN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCC(c2ccccc2)CC1 ZINC000013018633 568901865 /nfs/dbraw/zinc/90/18/65/568901865.db2.gz CYEQUDZFQYCBLY-UHFFFAOYSA-N 0 0 427.526 1.827 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OC ZINC000239296721 568911136 /nfs/dbraw/zinc/91/11/36/568911136.db2.gz DDEFJHHJRVDANA-XSWJXKHESA-N 0 0 426.535 1.802 50 0 IDAARN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)NC[C@H](c1ccco1)N(C)C)c1ccco1 ZINC000239672616 568911751 /nfs/dbraw/zinc/91/17/51/568911751.db2.gz BUESQAGEPDYOBN-NCXUSEDFSA-N 0 0 444.532 1.606 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O ZINC000244866369 568912921 /nfs/dbraw/zinc/91/29/21/568912921.db2.gz VUVQPEDNHSWZRJ-JJXSEGSLSA-N 0 0 426.558 1.543 50 0 IDAARN Cc1cccc(N2CCN(C(=O)CCCC[C@@H]3[C@H]4NC(=O)N[C@H]4CS3(=O)=O)CC2)c1C ZINC000245236988 568913049 /nfs/dbraw/zinc/91/30/49/568913049.db2.gz AKQRRVNRROUZTE-DSKINZAPSA-N 0 0 448.589 1.359 50 0 IDAARN CC(C)[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026753611 568916339 /nfs/dbraw/zinc/91/63/39/568916339.db2.gz LRYJBEBKYXHCFD-CQSZACIVSA-N 0 0 436.456 1.231 50 0 IDAARN CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000026756922 568916393 /nfs/dbraw/zinc/91/63/93/568916393.db2.gz KYNMGOPJKMISFB-UHFFFAOYSA-N 0 0 426.463 1.582 50 0 IDAARN O=S(=O)(NCc1ccnc(-n2cccn2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000026838336 568917779 /nfs/dbraw/zinc/91/77/79/568917779.db2.gz QJWTYZLEVOMUTF-UHFFFAOYSA-N 0 0 428.442 1.742 50 0 IDAARN CCC(=O)Nc1nnc(CCOCCOCCc2nnc(NC(=O)CC)s2)s1 ZINC000006461952 568918419 /nfs/dbraw/zinc/91/84/19/568918419.db2.gz YMTQZYYQLJTNCF-UHFFFAOYSA-N 0 0 428.540 1.905 50 0 IDAARN CN1CCN(C(=O)Cn2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000089382582 568921477 /nfs/dbraw/zinc/92/14/77/568921477.db2.gz MXUJLWWZOJGOSE-UHFFFAOYSA-N 0 0 425.411 1.693 50 0 IDAARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCCCNC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000002092540 568924998 /nfs/dbraw/zinc/92/49/98/568924998.db2.gz XGRKUKXYQLTUHB-ZCQNZVIGSA-N 0 0 434.533 1.853 50 0 biogenic IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O ZINC000013100171 568926208 /nfs/dbraw/zinc/92/62/08/568926208.db2.gz PFZPCOYJEPDTEZ-NRFANRHFSA-N 0 0 442.497 1.583 50 0 IDAARN Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000006552938 568931160 /nfs/dbraw/zinc/93/11/60/568931160.db2.gz BQJJEDYSYXCXTR-JLCFBVMHSA-N 0 0 425.489 1.924 50 0 IDAARN Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCC(=O)NCc1cccs1)C2 ZINC000064565452 568932344 /nfs/dbraw/zinc/93/23/44/568932344.db2.gz OBRSVMKAPZAENG-UHFFFAOYSA-N 0 0 429.546 1.699 50 0 IDAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NC[C@@H]1CCCO1)C2 ZINC000064565625 568932486 /nfs/dbraw/zinc/93/24/86/568932486.db2.gz PMAQNDXEDPAQLA-KRWDZBQOSA-N 0 0 439.516 1.633 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000016689768 568938103 /nfs/dbraw/zinc/93/81/03/568938103.db2.gz IHOSBYWLCYXCIS-MRXNPFEDSA-N 0 0 445.497 1.001 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2OC)cc(C)c1C ZINC000089585666 568938731 /nfs/dbraw/zinc/93/87/31/568938731.db2.gz HRVMITDBZDDDQS-CVEARBPZSA-N 0 0 441.550 1.576 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036085596 568947590 /nfs/dbraw/zinc/94/75/90/568947590.db2.gz ONPPFBSMMZUIDS-UHFFFAOYSA-N 0 0 432.839 1.611 50 0 IDAARN O=C(c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2Cl)c1=O)N1CCOCC1 ZINC000036085610 568947700 /nfs/dbraw/zinc/94/77/00/568947700.db2.gz FHDLSRIJDUYGJJ-UHFFFAOYSA-N 0 0 444.850 1.707 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036085144 568947732 /nfs/dbraw/zinc/94/77/32/568947732.db2.gz WENMRFSEYCOWEU-UHFFFAOYSA-N 0 0 430.411 1.487 50 0 IDAARN O=C(NCc1ccccn1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036085455 568947856 /nfs/dbraw/zinc/94/78/56/568947856.db2.gz YCROUAQTWJPASX-UHFFFAOYSA-N 0 0 431.427 1.907 50 0 IDAARN O=C(c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(Cl)c2)c1=O)N1CCOCC1 ZINC000036085306 568947972 /nfs/dbraw/zinc/94/79/72/568947972.db2.gz WWDFRQWVQCOIRW-UHFFFAOYSA-N 0 0 444.850 1.707 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085274 568947991 /nfs/dbraw/zinc/94/79/91/568947991.db2.gz GYCLEZVFWPDGBQ-KRWDZBQOSA-N 0 0 438.459 1.799 50 0 IDAARN O=C(NCc1ccccn1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085944 568948351 /nfs/dbraw/zinc/94/83/51/568948351.db2.gz YWIGWFLTDPOPAG-UHFFFAOYSA-N 0 0 431.427 1.907 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2ccccc2C)c1=O ZINC000036087231 568948634 /nfs/dbraw/zinc/94/86/34/568948634.db2.gz UQZMMYVZYVBJGF-UHFFFAOYSA-N 0 0 438.484 1.526 50 0 IDAARN CC[C@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036087299 568948847 /nfs/dbraw/zinc/94/88/47/568948847.db2.gz PAGNDPYAGPCDKE-HNNXBMFYSA-N 0 0 438.484 1.988 50 0 IDAARN Cc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3cccc(F)c3)c2=O)cc1 ZINC000036086711 568948988 /nfs/dbraw/zinc/94/89/88/568948988.db2.gz DHNQXVFSDJIOJV-IBGZPJMESA-N 0 0 438.459 1.799 50 0 IDAARN Cc1cccc(-n2nc(C(=O)N3CCN(C)CC3)c(=O)n(Cc3cccc(F)c3)c2=O)c1 ZINC000036087046 568949338 /nfs/dbraw/zinc/94/93/38/568949338.db2.gz JAGUFPVGVDHNPL-UHFFFAOYSA-N 0 0 437.475 1.278 50 0 IDAARN COCCCNC(=O)c1nn(-c2cccc(F)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036088423 568950334 /nfs/dbraw/zinc/95/03/34/568950334.db2.gz GWHIRBKCWTULGD-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCN(C)CC3)nn(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000036094036 568950869 /nfs/dbraw/zinc/95/08/69/568950869.db2.gz DDNHBXRMPATSPK-UHFFFAOYSA-N 0 0 447.539 1.755 50 0 IDAARN COC(=O)c1cn(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cn1 ZINC000064755624 568951167 /nfs/dbraw/zinc/95/11/67/568951167.db2.gz UJYALOYYSKDJAS-UHFFFAOYSA-N 0 0 438.513 1.890 50 0 IDAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(CC(=O)NC3CCCCC3)c(=O)n(C)c2n1 ZINC000064815003 568964239 /nfs/dbraw/zinc/96/42/39/568964239.db2.gz BPPVWQDNBWDGTH-UHFFFAOYSA-N 0 0 441.532 1.479 50 0 IDAARN CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21 ZINC000064861839 568973865 /nfs/dbraw/zinc/97/38/65/568973865.db2.gz FBEIDDNRDKYZPB-UHFFFAOYSA-N 0 0 446.529 1.908 50 0 IDAARN COCC(=O)N1CCC([C@@H](NC(=O)c2cccc(C)c2)C(=O)NCc2ccco2)CC1 ZINC000036211911 568975705 /nfs/dbraw/zinc/97/57/05/568975705.db2.gz NPDKMPRSHKEDKN-OAQYLSRUSA-N 0 0 427.501 1.888 50 0 IDAARN COc1cccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C2CCN(C(=O)C3CC3)CC2)c1 ZINC000036211280 568977074 /nfs/dbraw/zinc/97/70/74/568977074.db2.gz GEOGSNZCWZNDNF-HXUWFJFHSA-N 0 0 429.517 1.301 50 0 IDAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)NCC(C)C)CC1 ZINC000036214542 568977230 /nfs/dbraw/zinc/97/72/30/568977230.db2.gz PIXILSHYWUQNJM-IBGZPJMESA-N 0 0 448.589 1.892 50 0 IDAARN CC(C)NC(=O)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCC2)CC1 ZINC000036214386 568977310 /nfs/dbraw/zinc/97/73/10/568977310.db2.gz IDMQQLOTGZGGPG-HXUWFJFHSA-N 0 0 444.532 1.966 50 0 IDAARN COc1ccc(NC(=O)Cn2c3nccnc3c(=O)n(Cc3ccccc3)c2=O)cc1OC ZINC000064874325 568978549 /nfs/dbraw/zinc/97/85/49/568978549.db2.gz JHBYITRIBBHBBJ-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN CC(C)CN1Cc2c(n(CC(=O)N3CCOCC3)c3cc(C(C)(C)C)nn3c2=O)C1=O ZINC000006764663 568978801 /nfs/dbraw/zinc/97/88/01/568978801.db2.gz PYPYXJHHQGHKCZ-UHFFFAOYSA-N 0 0 429.521 1.264 50 0 IDAARN COc1cccc(N2CCN(C(=O)CN3CCN(Cc4ccccc4)C(=O)C3=O)CC2)c1 ZINC000064888454 568979109 /nfs/dbraw/zinc/97/91/09/568979109.db2.gz WEXOKJXYFKHLFC-UHFFFAOYSA-N 0 0 436.512 1.215 50 0 IDAARN CCCCN(C)C(=O)CCc1nc(-c2nn(-c3ccc(C)cc3)c(=O)n(CC)c2=O)no1 ZINC000064888295 568979502 /nfs/dbraw/zinc/97/95/02/568979502.db2.gz DGZYPDAVCRLHTH-UHFFFAOYSA-N 0 0 440.504 1.964 50 0 IDAARN Cc1cccc(CN2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)C(=O)C2=O)c1 ZINC000064888819 568979524 /nfs/dbraw/zinc/97/95/24/568979524.db2.gz LFFCMTMERWFUND-UHFFFAOYSA-N 0 0 434.540 1.510 50 0 IDAARN Cc1ccnc(NC(=O)CCc2nc(-c3nn(-c4ccccc4)c(=O)n(C)c3=O)no2)c1 ZINC000064888269 568979572 /nfs/dbraw/zinc/97/95/72/568979572.db2.gz IYEBGKSEHXKLTF-UHFFFAOYSA-N 0 0 433.428 1.256 50 0 IDAARN O=C(c1ccccn1)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000064889637 568980427 /nfs/dbraw/zinc/98/04/27/568980427.db2.gz UOKZHYMWCWWRBJ-UHFFFAOYSA-N 0 0 436.877 1.213 50 0 IDAARN CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000064889891 568980594 /nfs/dbraw/zinc/98/05/94/568980594.db2.gz DCBSJUQLVMJXNO-UHFFFAOYSA-N 0 0 444.513 1.230 50 0 IDAARN COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000064889892 568980602 /nfs/dbraw/zinc/98/06/02/568980602.db2.gz ZDGKHMDKQUWOLY-UHFFFAOYSA-N 0 0 445.497 1.102 50 0 IDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1 ZINC000064890016 568980790 /nfs/dbraw/zinc/98/07/90/568980790.db2.gz LGQSRTQOVLYKON-CQSZACIVSA-N 0 0 445.497 1.561 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000064890015 568980816 /nfs/dbraw/zinc/98/08/16/568980816.db2.gz DGQTZESXYKANFB-AWEZNQCLSA-N 0 0 445.497 1.561 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)COc4ccccc4)CC3)cc2NC1=O ZINC000064890060 568980825 /nfs/dbraw/zinc/98/08/25/568980825.db2.gz BPHYVNQKKJRTJT-OAHLLOKOSA-N 0 0 445.497 1.318 50 0 IDAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4cccs4)CC3)cc2NC1=O ZINC000064890187 568981167 /nfs/dbraw/zinc/98/11/67/568981167.db2.gz VNBBEXHRYITSMB-KRWDZBQOSA-N 0 0 449.554 1.933 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(F)cc1)OCC(=O)N2 ZINC000064920867 568985608 /nfs/dbraw/zinc/98/56/08/568985608.db2.gz SCFXNYKFAVEWMS-QGZVFWFLSA-N 0 0 447.488 1.935 50 0 IDAARN O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064921384 568985797 /nfs/dbraw/zinc/98/57/97/568985797.db2.gz YOYXHKRTFJBLNE-UHFFFAOYSA-N 0 0 435.527 1.796 50 0 IDAARN COCCN(C[C@H]1CN(C[C@@H](O)COc2ccccc2)CCO1)C(=O)c1ccccc1 ZINC000169680472 568991695 /nfs/dbraw/zinc/99/16/95/568991695.db2.gz DDLMOUYHLTUOLJ-FYYLOGMGSA-N 0 0 428.529 1.916 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000064946996 568995019 /nfs/dbraw/zinc/99/50/19/568995019.db2.gz ZFBYDXLTDIPQKQ-UHFFFAOYSA-N 0 0 445.589 1.664 50 0 IDAARN CCN1C(=O)c2c(C(=O)NC3CC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953560 568997538 /nfs/dbraw/zinc/99/75/38/568997538.db2.gz DQRWDFJCGGNANQ-QFIPXVFZSA-N 0 0 425.489 1.335 50 0 IDAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NC4CC4)c3C(=O)N2C2CC2)cc1 ZINC000064954307 568997806 /nfs/dbraw/zinc/99/78/06/568997806.db2.gz BYJISQBZPWFVBD-QHCPKHFHSA-N 0 0 437.500 1.477 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)c1cnc(N2CCN(c3ccccn3)CC2)[nH]c1=O ZINC000036314077 568998917 /nfs/dbraw/zinc/99/89/17/568998917.db2.gz TXYOEFUIGFNOOG-UHFFFAOYSA-N 0 0 434.456 1.150 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC000064957503 568999638 /nfs/dbraw/zinc/99/96/38/568999638.db2.gz XHJBPLFZCCWNTO-UHFFFAOYSA-N 0 0 449.552 1.792 50 0 IDAARN COc1ccccc1NC(=O)Cn1cc(C(=O)N2CCOCC2)c(=O)c2ccc(C)nc21 ZINC000064963877 569000818 /nfs/dbraw/zinc/00/08/18/569000818.db2.gz YOLKODKQFBOAHA-UHFFFAOYSA-N 0 0 436.468 1.825 50 0 IDAARN COc1ccc(-c2nc3c(c(C(N)=O)n2)n(C)c(=O)n3-c2ccccc2OC)cc1OC ZINC000064965782 569001063 /nfs/dbraw/zinc/00/10/63/569001063.db2.gz VOUWDDLJRXVFPN-UHFFFAOYSA-N 0 0 435.440 1.911 50 0 IDAARN CC(C)NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000064966572 569001430 /nfs/dbraw/zinc/00/14/30/569001430.db2.gz LWCIHPUORXOZHR-GOSISDBHSA-N 0 0 434.562 1.701 50 0 IDAARN COc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(C)c2=O)cc1OC ZINC000064966823 569001471 /nfs/dbraw/zinc/00/14/71/569001471.db2.gz PTPOZWVCUSVKOL-UHFFFAOYSA-N 0 0 444.875 1.574 50 0 IDAARN Cn1c(=O)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966831 569001612 /nfs/dbraw/zinc/00/16/12/569001612.db2.gz FAJSFRZQNGKVPJ-UHFFFAOYSA-N 0 0 443.866 1.686 50 0 IDAARN Cn1c(=O)c(C(=O)N2CCN(Cc3ccccc3)CC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966830 569001635 /nfs/dbraw/zinc/00/16/35/569001635.db2.gz XAQZBJABLGPFCF-UHFFFAOYSA-N 0 0 439.903 1.543 50 0 IDAARN Cc1c2c(nn1-c1ccccc1)c(C)nn([C@H](C)C(=O)NCCCN1CCOCC1)c2=O ZINC000064971187 569076472 /nfs/dbraw/zinc/07/64/72/569076472.db2.gz MPCUVFPAZPRZKQ-GOSISDBHSA-N 0 0 438.532 1.599 50 0 IDAARN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000036356837 569084474 /nfs/dbraw/zinc/08/44/74/569084474.db2.gz CRFYOIGLJDQRNL-HXUWFJFHSA-N 0 0 429.521 1.594 50 0 IDAARN O=C(NCCNS(=O)(=O)c1cccc2nsnc21)c1ccc2c(c1)OCCCO2 ZINC000036359618 569086454 /nfs/dbraw/zinc/08/64/54/569086454.db2.gz IUFBWEUJUGPMDO-UHFFFAOYSA-N 0 0 434.499 1.561 50 0 IDAARN COc1cc(OC)c(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl ZINC000036359697 569086572 /nfs/dbraw/zinc/08/65/72/569086572.db2.gz LYOISTWEWRSKFX-UHFFFAOYSA-N 0 0 430.848 1.822 50 0 IDAARN CCn1c(N2CCC[C@H](C(=O)NCc3ccc(OC)cc3OC)C2)cc(=O)n(C)c1=O ZINC000065024020 569089453 /nfs/dbraw/zinc/08/94/53/569089453.db2.gz RAOOXYKQDLJRNJ-INIZCTEOSA-N 0 0 430.505 1.117 50 0 IDAARN Cc1ccc(CNC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)cc1 ZINC000065030000 569091265 /nfs/dbraw/zinc/09/12/65/569091265.db2.gz UVNQLIDFVRQWHA-UHFFFAOYSA-N 0 0 430.534 1.926 50 0 IDAARN CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)c1 ZINC000065032461 569091439 /nfs/dbraw/zinc/09/14/39/569091439.db2.gz ATOWMTSMQJHHEA-UHFFFAOYSA-N 0 0 446.554 1.802 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)cc1 ZINC000065032485 569091482 /nfs/dbraw/zinc/09/14/82/569091482.db2.gz LETIICYYAJLHIF-UHFFFAOYSA-N 0 0 433.511 1.745 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)CC2)cc1 ZINC000065032602 569091585 /nfs/dbraw/zinc/09/15/85/569091585.db2.gz AXLQVXPSOZSYAF-UHFFFAOYSA-N 0 0 447.538 1.755 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccn4)CC3)cc2sc1=O ZINC000065032751 569091596 /nfs/dbraw/zinc/09/15/96/569091596.db2.gz VOASIKFNNJUOLS-UHFFFAOYSA-N 0 0 432.527 1.625 50 0 IDAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000036384127 569092725 /nfs/dbraw/zinc/09/27/25/569092725.db2.gz FRZGFFSFINBMQX-FQEVSTJZSA-N 0 0 436.503 1.486 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)NC(=O)N[C@H]1C ZINC000036384057 569092754 /nfs/dbraw/zinc/09/27/54/569092754.db2.gz MUEDJTHHBAJSFC-OFQRWUPVSA-N 0 0 429.473 1.658 50 0 IDAARN CCOC(=O)Cc1csc(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)n1 ZINC000036386053 569092853 /nfs/dbraw/zinc/09/28/53/569092853.db2.gz DXFUGTKMZFHRND-UHFFFAOYSA-N 0 0 442.607 1.400 50 0 IDAARN COc1ccc(CNC(=O)[C@@H](C)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000036385060 569092993 /nfs/dbraw/zinc/09/29/93/569092993.db2.gz NKSMFZRVQZOVIL-GOSISDBHSA-N 0 0 431.558 1.848 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000036386927 569093344 /nfs/dbraw/zinc/09/33/44/569093344.db2.gz HKNXZQYEVIGRDX-UHFFFAOYSA-N 0 0 437.543 1.854 50 0 IDAARN Cn1c(=O)n(CC(=O)NCc2cccnc2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065057070 569095002 /nfs/dbraw/zinc/09/50/02/569095002.db2.gz ZVHBAFDANHKAGH-UHFFFAOYSA-N 0 0 436.859 1.522 50 0 IDAARN CCn1c(=O)n(CC(=O)NC[C@@H]2CCCO2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065056966 569095008 /nfs/dbraw/zinc/09/50/08/569095008.db2.gz ZEMDNLDQXADACV-HNNXBMFYSA-N 0 0 443.891 1.589 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CCN(C(=O)C(C)C)CC2)CC1 ZINC000065061632 569097217 /nfs/dbraw/zinc/09/72/17/569097217.db2.gz CUUHCUCWULZZNI-UHFFFAOYSA-N 0 0 440.566 1.409 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000036396783 569099185 /nfs/dbraw/zinc/09/91/85/569099185.db2.gz FGFVZZNNIMOIIU-UHFFFAOYSA-N 0 0 447.557 1.945 50 0 IDAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)ccc21 ZINC000065075769 569099710 /nfs/dbraw/zinc/09/97/10/569099710.db2.gz URYKJPKRJJRTPN-UHFFFAOYSA-N 0 0 449.916 1.861 50 0 IDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000065075753 569099720 /nfs/dbraw/zinc/09/97/20/569099720.db2.gz OWIVAXPCBFHNFW-UHFFFAOYSA-N 0 0 445.497 1.216 50 0 IDAARN CC(C)n1c2ccc(S(=O)(=O)N3CCN(C(=O)c4cnccn4)CC3)cc2oc1=O ZINC000065075902 569099852 /nfs/dbraw/zinc/09/98/52/569099852.db2.gz OMGPTYWIEDHYGF-UHFFFAOYSA-N 0 0 431.474 1.112 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3CC(=O)N2CCOCC2)CC1 ZINC000065078840 569100529 /nfs/dbraw/zinc/10/05/29/569100529.db2.gz BRXYXYVKBDXAIJ-UHFFFAOYSA-N 0 0 449.573 1.635 50 0 IDAARN O=S1(=O)CC[C@H](N(Cc2cccs2)Cn2nnn(C[C@H]3CCCO3)c2=S)C1 ZINC000036403508 569102370 /nfs/dbraw/zinc/10/23/70/569102370.db2.gz ZEVGJXSGUSQAAU-UONOGXRCSA-N 0 0 429.593 1.696 50 0 IDAARN Cc1cn2nc(C(=O)N3CCC(NC(=O)Cc4c[nH]c5ccccc45)CC3)cc2c(=O)[nH]1 ZINC000169780599 569103074 /nfs/dbraw/zinc/10/30/74/569103074.db2.gz IBXWJNLQBWJKGX-UHFFFAOYSA-N 0 0 432.484 1.776 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)NC(=O)Nc1ccccc1F ZINC000036408770 569103468 /nfs/dbraw/zinc/10/34/68/569103468.db2.gz KNMRSKXTFGBNON-UHFFFAOYSA-N 0 0 441.529 1.212 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)Nc4ccccc4F)c(=O)c3s2)CC1 ZINC000065100999 569105548 /nfs/dbraw/zinc/10/55/48/569105548.db2.gz NAYXTGHBDSZFNQ-UHFFFAOYSA-N 0 0 444.492 1.593 50 0 IDAARN COC(=O)c1ccc(Cn2nc3c(S(=O)(=O)N4CCCCCC4)cccn3c2=O)o1 ZINC000065129362 569108830 /nfs/dbraw/zinc/10/88/30/569108830.db2.gz BJHDCUCWBOJBAP-UHFFFAOYSA-N 0 0 434.474 1.489 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3c(N4CCSCC4)nccn3c2=O)c(OC)c1 ZINC000065151591 569111293 /nfs/dbraw/zinc/11/12/93/569111293.db2.gz LAJPIMITHBNBPA-UHFFFAOYSA-N 0 0 430.490 1.100 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1nc2c(N3C[C@H](C)C[C@H](C)C3)nccn2c1=O ZINC000065151877 569111455 /nfs/dbraw/zinc/11/14/55/569111455.db2.gz PMDRARSOPHVAIS-GASCZTMLSA-N 0 0 438.488 1.799 50 0 IDAARN Cc1ccccc1N1CCN(c2nccn3c(=O)n(CC(=O)NCCC(C)C)nc23)CC1 ZINC000065151844 569111493 /nfs/dbraw/zinc/11/14/93/569111493.db2.gz PIMRPVJYFPIYEQ-UHFFFAOYSA-N 0 0 437.548 1.688 50 0 IDAARN COCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000006949999 569112812 /nfs/dbraw/zinc/11/28/12/569112812.db2.gz ITFPPEISDPSMJJ-UHFFFAOYSA-N 0 0 425.551 1.882 50 0 IDAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000065172586 569113313 /nfs/dbraw/zinc/11/33/13/569113313.db2.gz UJVZPQUDNANGDA-UHFFFAOYSA-N 0 0 425.533 1.887 50 0 IDAARN CC(=O)N1CCN(C(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)CC1 ZINC000065183436 569113835 /nfs/dbraw/zinc/11/38/35/569113835.db2.gz FTZXFZNHYJCIPY-UHFFFAOYSA-N 0 0 427.486 1.320 50 0 IDAARN CCOC(=O)[C@H](CC)n1nc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cn2c1=O ZINC000065198726 569114898 /nfs/dbraw/zinc/11/48/98/569114898.db2.gz BKORLCGXTKRKAU-SFHVURJKSA-N 0 0 444.513 1.757 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)C[C@@H](C2)O3)cc1 ZINC000065225090 569117787 /nfs/dbraw/zinc/11/77/87/569117787.db2.gz JDXPFDWXSTZKPW-CALCHBBNSA-N 0 0 430.482 1.638 50 0 IDAARN CC(=O)N1CCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)CC1 ZINC000065235952 569119404 /nfs/dbraw/zinc/11/94/04/569119404.db2.gz UNGRMBSBYPVISE-UHFFFAOYSA-N 0 0 433.472 1.258 50 0 IDAARN CC(=O)N1CCN(Cc2nc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)no2)CC1 ZINC000065235810 569119444 /nfs/dbraw/zinc/11/94/44/569119444.db2.gz WXHXPZPDEPVESB-UHFFFAOYSA-N 0 0 447.499 1.567 50 0 IDAARN CCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036594763 569121208 /nfs/dbraw/zinc/12/12/08/569121208.db2.gz ZTEKJIVUCSMFLC-MOPGFXCFSA-N 0 0 428.620 1.561 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1N(C)CCc1ccncc1 ZINC000036594922 569121416 /nfs/dbraw/zinc/12/14/16/569121416.db2.gz UWUWPTMVACQKTE-XLIONFOSSA-N 0 0 438.571 1.512 50 0 IDAARN CCc1nn(CC)c(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)cn21 ZINC000065247276 569121921 /nfs/dbraw/zinc/12/19/21/569121921.db2.gz PJVMWFMQNOQTRE-UHFFFAOYSA-N 0 0 445.545 1.598 50 0 IDAARN CCn1cc(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c(C)n1 ZINC000036614666 569122305 /nfs/dbraw/zinc/12/23/05/569122305.db2.gz GDVZLLQRPBPGOP-UHFFFAOYSA-N 0 0 431.562 1.845 50 0 IDAARN Cc1cc(N2CCN(C(=O)c3cc(C(=O)N4CCOCC4)nn3C)CC2)nc2ccccc12 ZINC000036612425 569123655 /nfs/dbraw/zinc/12/36/55/569123655.db2.gz XGTYVULPFVEZMC-UHFFFAOYSA-N 0 0 448.527 1.712 50 0 IDAARN O=C(NCCN1CCOCC1)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259859 569124768 /nfs/dbraw/zinc/12/47/68/569124768.db2.gz CULLCQPIHZAFEP-KRWDZBQOSA-N 0 0 441.619 1.768 50 0 biogenic IDAARN COc1ccc(-c2noc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)n2)cc1OC ZINC000013128149 569125262 /nfs/dbraw/zinc/12/52/62/569125262.db2.gz XARIQPRDOGZDQB-UHFFFAOYSA-N 0 0 446.485 1.748 50 0 IDAARN COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524731486 569126568 /nfs/dbraw/zinc/12/65/68/569126568.db2.gz ZPTTXZGJLXZIBW-INIZCTEOSA-N 0 0 446.456 1.029 50 0 biogenic IDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCNc1ncccn1 ZINC000524733184 569127061 /nfs/dbraw/zinc/12/70/61/569127061.db2.gz CLEDHVSISTYIDI-FQEVSTJZSA-N 0 0 428.452 1.820 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)CC1 ZINC000065273766 569128256 /nfs/dbraw/zinc/12/82/56/569128256.db2.gz RPSNGWJTEYGNRT-QGZVFWFLSA-N 0 0 448.589 1.718 50 0 IDAARN C=C1C(N2CCCN(C(=O)NCCC(=O)OC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271905 569128699 /nfs/dbraw/zinc/12/86/99/569128699.db2.gz JVPSOQDPXPBRBT-UHFFFAOYSA-N 0 0 434.518 1.440 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCC[C@@H](C)C4)ccn3c2=O)cc1OC ZINC000065307975 569132666 /nfs/dbraw/zinc/13/26/66/569132666.db2.gz NDMVWFNOAUAWND-CQSZACIVSA-N 0 0 426.477 1.783 50 0 IDAARN O=C(Cn1nc2nc(Nc3ccc(F)cc3)ccn2c1=O)NCc1ccc2c(c1)OCO2 ZINC000065308136 569132677 /nfs/dbraw/zinc/13/26/77/569132677.db2.gz LAOUBICVKHYEDL-UHFFFAOYSA-N 0 0 436.403 1.819 50 0 IDAARN CC1(C)c2cc(S(=O)(=O)N3CCCC3)ccc2N(CC(=O)NCc2ccccn2)C1=O ZINC000065301770 569132817 /nfs/dbraw/zinc/13/28/17/569132817.db2.gz QHSWKQFOXRKSET-UHFFFAOYSA-N 0 0 442.541 1.807 50 0 IDAARN CCC(=O)N1CCc2cc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)ccc21 ZINC000065305009 569132940 /nfs/dbraw/zinc/13/29/40/569132940.db2.gz RTRMWFYFJNYMPH-LJQANCHMSA-N 0 0 448.589 1.655 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc3n(c4ccsc4c(=O)n3CC(C)C)c2=O)c1 ZINC000065305285 569133081 /nfs/dbraw/zinc/13/30/81/569133081.db2.gz WQKXQTMHPQDNOG-UHFFFAOYSA-N 0 0 441.513 1.853 50 0 IDAARN Cn1c(=O)n(CC(=O)NCc2ccccn2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065305602 569133339 /nfs/dbraw/zinc/13/33/39/569133339.db2.gz GGQRRNPSKBHPOC-UHFFFAOYSA-N 0 0 436.859 1.522 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)NCCOc3cc(N4CCCC4)ncn3)cc2C[C@H]1C ZINC000036708033 569134733 /nfs/dbraw/zinc/13/47/33/569134733.db2.gz GNGILPPNXJOMAS-OAHLLOKOSA-N 0 0 445.545 1.732 50 0 IDAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000036708272 569134978 /nfs/dbraw/zinc/13/49/78/569134978.db2.gz IHLDDHCECZBUSC-UHFFFAOYSA-N 0 0 439.541 1.977 50 0 IDAARN O=C(COc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000036708264 569135063 /nfs/dbraw/zinc/13/50/63/569135063.db2.gz TZMFJPLMZHCSRC-UHFFFAOYSA-N 0 0 425.489 1.923 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nnc(-c4ccn(C)n4)o3)C2)cc1 ZINC000036700469 569135320 /nfs/dbraw/zinc/13/53/20/569135320.db2.gz WVNDZWXACGVVHY-ZDUSSCGKSA-N 0 0 446.489 1.518 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nnc(-c4ccn(C)n4)o3)C2)cc1 ZINC000036700467 569135374 /nfs/dbraw/zinc/13/53/74/569135374.db2.gz WVNDZWXACGVVHY-CYBMUJFWSA-N 0 0 446.489 1.518 50 0 IDAARN O=C([C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)N1CCC2(CC1)OCCO2 ZINC000065313954 569135398 /nfs/dbraw/zinc/13/53/98/569135398.db2.gz YOXJRRWQLWNBKS-HXUWFJFHSA-N 0 0 438.528 1.874 50 0 IDAARN O=C(NCCCN1CCCC1=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314211 569135571 /nfs/dbraw/zinc/13/55/71/569135571.db2.gz NNFQLMQNQYJZKN-FQEVSTJZSA-N 0 0 437.544 1.637 50 0 IDAARN O=C(c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCN(c2ccccn2)CC1 ZINC000036708449 569135943 /nfs/dbraw/zinc/13/59/43/569135943.db2.gz WUURZEVMNNJTCJ-MRXNPFEDSA-N 0 0 441.513 1.860 50 0 IDAARN CCN(CC)S(=O)(=O)N1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000036714065 569136547 /nfs/dbraw/zinc/13/65/47/569136547.db2.gz UPARRYFDZKFNQV-OAHLLOKOSA-N 0 0 434.570 1.463 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3cc(-c4ccccc4)nn3C)CC2)cn1C ZINC000238823571 569137210 /nfs/dbraw/zinc/13/72/10/569137210.db2.gz DFECVLWQIVFUDL-UHFFFAOYSA-N 0 0 442.545 1.666 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1F ZINC000238849482 569137511 /nfs/dbraw/zinc/13/75/11/569137511.db2.gz JCVVKESWECWSMJ-UHFFFAOYSA-N 0 0 432.499 1.033 50 0 IDAARN Cn1ccc2cc([C@@H](O)CNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)ccc21 ZINC000238888899 569137727 /nfs/dbraw/zinc/13/77/27/569137727.db2.gz QKKZMLMNXLVOPZ-IBGZPJMESA-N 0 0 427.482 1.844 50 0 IDAARN CC(C)c1noc(CCC(=O)N2CCN([C@@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 ZINC000170593257 569141135 /nfs/dbraw/zinc/14/11/35/569141135.db2.gz JMZCCGXXKUXXKP-QGZVFWFLSA-N 0 0 429.525 1.199 50 0 IDAARN CC(C)c1noc(CCC(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)n1 ZINC000170593258 569141163 /nfs/dbraw/zinc/14/11/63/569141163.db2.gz JMZCCGXXKUXXKP-KRWDZBQOSA-N 0 0 429.525 1.199 50 0 IDAARN COC(=O)Cn1ncc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1C ZINC000170599133 569142483 /nfs/dbraw/zinc/14/24/83/569142483.db2.gz BCXZLEIRKDOZQP-HNNXBMFYSA-N 0 0 436.490 1.074 50 0 IDAARN COC(=O)N1CCC([C@H](C)NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 ZINC000170600795 569142914 /nfs/dbraw/zinc/14/29/14/569142914.db2.gz IFJJVLFHKNUTEN-INIZCTEOSA-N 0 0 428.489 1.919 50 0 IDAARN CNS(=O)(=O)CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000170603573 569143580 /nfs/dbraw/zinc/14/35/80/569143580.db2.gz HSTRDRMRUNYTNO-CYBMUJFWSA-N 0 0 442.390 1.510 50 0 IDAARN CCN(C)C(=O)[C@H](C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000170609977 569144889 /nfs/dbraw/zinc/14/48/89/569144889.db2.gz YPXQLCPTCPZQQJ-NSHDSACASA-N 0 0 427.431 1.343 50 0 IDAARN Cc1cc(F)c(C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)S(C)(=O)=O)cc1F ZINC000170617225 569147212 /nfs/dbraw/zinc/14/72/12/569147212.db2.gz TURNFGWNIKHUHR-UHFFFAOYSA-N 0 0 432.470 1.565 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)nc1 ZINC000170619867 569147515 /nfs/dbraw/zinc/14/75/15/569147515.db2.gz YGSZUKFWVIBHRE-OAHLLOKOSA-N 0 0 434.493 1.962 50 0 IDAARN Cn1c2nc(N3CCCCC3)n(C[C@@H](O)COc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000170624394 569147989 /nfs/dbraw/zinc/14/79/89/569147989.db2.gz VKILOFVYLCXEPC-CYBMUJFWSA-N 0 0 433.896 1.507 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000170624386 569148057 /nfs/dbraw/zinc/14/80/57/569148057.db2.gz IWNXKUMTHIOTMJ-CVEARBPZSA-N 0 0 427.505 1.408 50 0 IDAARN COc1ccc(OC[C@@H](O)Cn2c(SC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000170624817 569148085 /nfs/dbraw/zinc/14/80/85/569148085.db2.gz HRSPIEJIHVFTRK-ZDUSSCGKSA-N 0 0 434.518 1.383 50 0 IDAARN COc1ccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000170624421 569148117 /nfs/dbraw/zinc/14/81/17/569148117.db2.gz ZLUNFLJDJDKODU-OAHLLOKOSA-N 0 0 443.504 1.108 50 0 IDAARN CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OS(=O)(=O)N(C)C ZINC000009761580 569149121 /nfs/dbraw/zinc/14/91/21/569149121.db2.gz ZIEZOMRQVNBQIJ-UHFFFAOYSA-N 0 0 446.279 1.357 50 0 IDAARN CCOC(=O)N1CCN2c3cc(Cl)ccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 ZINC000008773673 569149238 /nfs/dbraw/zinc/14/92/38/569149238.db2.gz OQURATWSWSOLSI-OAHLLOKOSA-N 0 0 434.880 1.580 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1NC(=O)c1ccco1 ZINC000009883578 569150106 /nfs/dbraw/zinc/15/01/06/569150106.db2.gz JWDBFDUBVSEJSU-UHFFFAOYSA-N 0 0 445.453 1.809 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000009954298 569151031 /nfs/dbraw/zinc/15/10/31/569151031.db2.gz DBQBEQKPXOMDCA-DEOSSOPVSA-N 0 0 447.495 1.825 50 0 IDAARN CCCn1c(N)c(N(CCOC)C(=O)c2ccc(OC(F)(F)F)cc2)c(=O)[nH]c1=O ZINC000009955292 569151169 /nfs/dbraw/zinc/15/11/69/569151169.db2.gz KWHXDFMSLGMTCR-UHFFFAOYSA-N 0 0 430.383 1.721 50 0 IDAARN Cn1nnnc1-c1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000010089870 569152605 /nfs/dbraw/zinc/15/26/05/569152605.db2.gz UHHPAABJCCSVPE-UHFFFAOYSA-N 0 0 429.458 1.451 50 0 IDAARN COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 ZINC000010219920 569152840 /nfs/dbraw/zinc/15/28/40/569152840.db2.gz QYZKQIQVNPTOPG-SNVBAGLBSA-N 0 0 426.882 1.044 50 0 IDAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)N2CCC(C(N)=O)CC2)CSC3)cc1 ZINC000010220896 569153029 /nfs/dbraw/zinc/15/30/29/569153029.db2.gz SBPDWXHNKJHDTI-UHFFFAOYSA-N 0 0 429.502 1.290 50 0 IDAARN O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)Nc1ccc2c(c1)OCCO2 ZINC000010218650 569153478 /nfs/dbraw/zinc/15/34/78/569153478.db2.gz UOPFZBPPWQBUDG-LLVKDONJSA-N 0 0 425.488 1.549 50 0 IDAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2)CS(=O)(=O)C3)cc1 ZINC000010219753 569153828 /nfs/dbraw/zinc/15/38/28/569153828.db2.gz WYXNFDLAPIQSCK-UHFFFAOYSA-N 0 0 440.481 1.564 50 0 IDAARN CC(C)OCCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 ZINC000010219780 569153873 /nfs/dbraw/zinc/15/38/73/569153873.db2.gz VGWGFJSRMPAECZ-UHFFFAOYSA-N 0 0 438.481 1.310 50 0 IDAARN CCOc1ccccc1NC(=O)CSc1nc(=O)n(N2CCN(C)CC2)c2c1CCC2 ZINC000010255089 569153926 /nfs/dbraw/zinc/15/39/26/569153926.db2.gz UOQUIZHHACGQOR-UHFFFAOYSA-N 0 0 443.573 1.745 50 0 IDAARN CCc1nnc(NC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCCC3)s1 ZINC000010255202 569153995 /nfs/dbraw/zinc/15/39/95/569153995.db2.gz CYEYKJQWHOMUCK-UHFFFAOYSA-N 0 0 449.606 1.150 50 0 IDAARN COc1ccc(OC[C@@H](O)Cn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000010385369 569154347 /nfs/dbraw/zinc/15/43/47/569154347.db2.gz OWHMZYVPIVCPRD-GJZGRUSLSA-N 0 0 443.504 1.108 50 0 IDAARN Cn1c2nc(N3CCCC3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000010385962 569154405 /nfs/dbraw/zinc/15/44/05/569154405.db2.gz MSPFBJXHVNAPOU-AWEZNQCLSA-N 0 0 433.896 1.127 50 0 IDAARN CCc1cccc(OC[C@H](O)Cn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000010385155 569154576 /nfs/dbraw/zinc/15/45/76/569154576.db2.gz CWPXLBMMKSXIDF-QGZVFWFLSA-N 0 0 441.532 1.662 50 0 IDAARN O=C(c1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000071824214 569154600 /nfs/dbraw/zinc/15/46/00/569154600.db2.gz NLDBFDYSLYVXAX-GOSISDBHSA-N 0 0 448.566 1.628 50 0 IDAARN O=C(Nn1cnc2ccccc2c1=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000014044073 569157537 /nfs/dbraw/zinc/15/75/37/569157537.db2.gz VXLLGHQDEBFNSE-OAHLLOKOSA-N 0 0 428.470 1.238 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000014232626 569158174 /nfs/dbraw/zinc/15/81/74/569158174.db2.gz CGBMZFQYNYXCNW-CZUORRHYSA-N 0 0 433.486 1.268 50 0 IDAARN FC(F)(F)c1cccc(-c2noc(CN3CCN(c4ccc5nnnn5n4)CC3)n2)c1 ZINC000014328982 569158626 /nfs/dbraw/zinc/15/86/26/569158626.db2.gz NLBOBHBXDMZMSG-UHFFFAOYSA-N 0 0 431.382 1.910 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000014358297 569158825 /nfs/dbraw/zinc/15/88/25/569158825.db2.gz MXHRRNHXHIZBHQ-UHFFFAOYSA-N 0 0 435.431 1.641 50 0 IDAARN O=C(CN1CCN(C(=O)c2cccnc2N2CCOCC2)CC1)Nc1cccc(F)c1 ZINC000014505867 569159232 /nfs/dbraw/zinc/15/92/32/569159232.db2.gz NIWMYUNODIXAAC-UHFFFAOYSA-N 0 0 427.480 1.454 50 0 IDAARN CCN(C(=O)CCNC(=O)c1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014584263 569159396 /nfs/dbraw/zinc/15/93/96/569159396.db2.gz SVVVIIQMVQOHJY-UHFFFAOYSA-N 0 0 449.511 1.649 50 0 IDAARN O=C(CCNC(=O)c1ccncc1)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 ZINC000089780739 569162891 /nfs/dbraw/zinc/16/28/91/569162891.db2.gz NITGNSVSGJTCHW-UHFFFAOYSA-N 0 0 448.520 1.700 50 0 IDAARN COCC(=O)N1CCN(C(=O)c2cn(C(C)C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000016839043 569162984 /nfs/dbraw/zinc/16/29/84/569162984.db2.gz JOBGCHBGTHOHIS-UHFFFAOYSA-N 0 0 437.500 1.651 50 0 IDAARN CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl ZINC000016839459 569163020 /nfs/dbraw/zinc/16/30/20/569163020.db2.gz XEDJURCKZMZDME-ZDUSSCGKSA-N 0 0 435.912 1.739 50 0 IDAARN O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000016849982 569164606 /nfs/dbraw/zinc/16/46/06/569164606.db2.gz WNKXGYHGCYZLNU-UHFFFAOYSA-N 0 0 434.345 1.984 50 0 IDAARN O=C(Cn1cnc2c(cnn2[C@@H]2CCS(=O)(=O)C2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000016849857 569164665 /nfs/dbraw/zinc/16/46/65/569164665.db2.gz UGXDKXPAWODXIC-LLVKDONJSA-N 0 0 439.856 1.384 50 0 IDAARN O=C(CN1CCN(CC(=O)NCCC2=CCCCC2)CC(O)C1)NCCC1=CCCCC1 ZINC000089817933 569165173 /nfs/dbraw/zinc/16/51/73/569165173.db2.gz QDHWXISIRDWNIT-UHFFFAOYSA-N 0 0 446.636 1.978 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c2ncnc3N2CCCC2)cc1 ZINC000016913731 569165858 /nfs/dbraw/zinc/16/58/58/569165858.db2.gz GPHDIPIVKBEZNU-UHFFFAOYSA-N 0 0 443.533 1.107 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc3ccccc3c2O)cc1 ZINC000089873114 569166382 /nfs/dbraw/zinc/16/63/82/569166382.db2.gz KADASWIDGWWLSN-UHFFFAOYSA-N 0 0 428.466 1.709 50 0 IDAARN C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)c1nnc2n1CCCC2 ZINC000089913824 569167311 /nfs/dbraw/zinc/16/73/11/569167311.db2.gz GGDKBHMXBBHLJX-LLVKDONJSA-N 0 0 434.294 1.980 50 0 IDAARN COC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000089914346 569167531 /nfs/dbraw/zinc/16/75/31/569167531.db2.gz WWFWTKJEQCVVTF-SPLOXXLWSA-N 0 0 434.395 1.958 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)NCc3ccccn3)C(C)C)cc2C[C@H]1C ZINC000009118197 569171326 /nfs/dbraw/zinc/17/13/26/569171326.db2.gz DKIMCKNZKAAJBH-VFNWGFHPSA-N 0 0 444.557 1.998 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCc3ccccn3)C(C)C)cc2C[C@H]1C ZINC000009118200 569171373 /nfs/dbraw/zinc/17/13/73/569171373.db2.gz DKIMCKNZKAAJBH-QVKFZJNVSA-N 0 0 444.557 1.998 50 0 IDAARN CCc1ccccc1N1C[C@H](C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000251995570 569171781 /nfs/dbraw/zinc/17/17/81/569171781.db2.gz KPUVJYRSLBRSAI-CEXWTWQISA-N 0 0 434.558 1.797 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 ZINC000017126524 569174281 /nfs/dbraw/zinc/17/42/81/569174281.db2.gz CVSJXQURCJDMHE-UHFFFAOYSA-N 0 0 434.499 1.537 50 0 IDAARN CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC000002079678 569177113 /nfs/dbraw/zinc/17/71/13/569177113.db2.gz VYMQKLALKYYFJG-KRWDZBQOSA-N 0 0 447.440 1.651 50 0 IDAARN Cn1nc2nc(N3CCN(CCN4CCOCC4)CC3)nc(-c3cccs3)c2c1N ZINC000037359372 569177243 /nfs/dbraw/zinc/17/72/43/569177243.db2.gz GNDNSUDHEXGXBC-UHFFFAOYSA-N 0 0 428.566 1.128 50 0 IDAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N32)cc1OC ZINC000002101601 569179862 /nfs/dbraw/zinc/17/98/62/569179862.db2.gz WLUQOEBTDFZYSH-MBSDFSHPSA-N 0 0 435.480 1.862 50 0 biogenic IDAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCO)CC(=O)N23)c(OC)c1 ZINC000002107590 569181286 /nfs/dbraw/zinc/18/12/86/569181286.db2.gz OTKJRFPKWCKFIY-WMZHIEFXSA-N 0 0 435.480 1.862 50 0 biogenic IDAARN Cn1c2nc(Br)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000025761613 569181844 /nfs/dbraw/zinc/18/18/44/569181844.db2.gz PBAKGNBQEFAWLC-SNVBAGLBSA-N 0 0 443.685 1.290 50 0 IDAARN Cn1c2nc(Br)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000025761618 569181901 /nfs/dbraw/zinc/18/19/01/569181901.db2.gz PBAKGNBQEFAWLC-JTQLQIEISA-N 0 0 443.685 1.290 50 0 IDAARN COc1cc(NC(=O)[C@@H]2[C@H]3C(=O)N(C[C@H]4CCCO4)C[C@@]34C=C[C@@H]2O4)cc(OC)c1OC ZINC000252383350 569183105 /nfs/dbraw/zinc/18/31/05/569183105.db2.gz LQAIALVFPHCXFW-ANAHBWLFSA-N 0 0 444.484 1.612 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000252394315 569183112 /nfs/dbraw/zinc/18/31/12/569183112.db2.gz GMHYNAOFGRHEHB-LUYSREMJSA-N 0 0 437.445 1.490 50 0 IDAARN C[C@H](OC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000252444446 569183791 /nfs/dbraw/zinc/18/37/91/569183791.db2.gz CNAZYGMDGCHVOP-NUEKZKHPSA-N 0 0 430.457 1.529 50 0 IDAARN Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](CCC(=O)[O-])[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000002129176 569184293 /nfs/dbraw/zinc/18/42/93/569184293.db2.gz YJTFAPLZYSXKBF-GHCZAOPSSA-N 0 0 433.464 1.780 50 0 biogenic IDAARN Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CCC(=O)[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000002132007 569185050 /nfs/dbraw/zinc/18/50/50/569185050.db2.gz CNUXTOQYWCNBPK-XITLKHQFSA-N 0 0 425.485 1.913 50 0 biogenic IDAARN CC(C)[C@H](C(=O)N1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1)N1CCCS1(=O)=O ZINC000252480163 569186143 /nfs/dbraw/zinc/18/61/43/569186143.db2.gz BXEIAYAWZFPJLY-BRWVUGGUSA-N 0 0 429.583 1.904 50 0 IDAARN COc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(Cc4cccnc4)CC3)C2=O)cc1 ZINC000252482563 569186483 /nfs/dbraw/zinc/18/64/83/569186483.db2.gz DJCNZATVGMFWKS-HXUWFJFHSA-N 0 0 437.500 1.844 50 0 IDAARN COc1cc(C(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc(OC)c1OC ZINC000252501118 569188210 /nfs/dbraw/zinc/18/82/10/569188210.db2.gz UCSOAVHUAGOUOF-UHFFFAOYSA-N 0 0 428.489 1.843 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n3C)n1CCOCCO ZINC000010233370 569188292 /nfs/dbraw/zinc/18/82/92/569188292.db2.gz AZRQHBFRALRDTH-UHFFFAOYSA-N 0 0 431.880 1.168 50 0 IDAARN CSCC[C@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252518199 569189284 /nfs/dbraw/zinc/18/92/84/569189284.db2.gz AHKPTSWMZYYESS-QAPCUYQASA-N 0 0 432.546 1.846 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCc3ccc(O)cc3)C2=O)cc1OC ZINC000252535802 569189932 /nfs/dbraw/zinc/18/99/32/569189932.db2.gz GXEQVTQZJAXKND-GOSISDBHSA-N 0 0 441.484 1.826 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1 ZINC000252538103 569190134 /nfs/dbraw/zinc/19/01/34/569190134.db2.gz MREGAIBSUBSRFS-OAQYLSRUSA-N 0 0 435.528 1.874 50 0 IDAARN CSc1ccc(-c2nnn(CC(=O)Nc3nn(-c4ccccc4)nc3C(N)=O)n2)cc1 ZINC000002192475 569190629 /nfs/dbraw/zinc/19/06/29/569190629.db2.gz ZEQMRUBRXVNVJN-UHFFFAOYSA-N 0 0 435.473 1.380 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H](CO)Cc1ccccc1 ZINC000252572360 569191179 /nfs/dbraw/zinc/19/11/79/569191179.db2.gz ZBPMHAWLHCGERF-ZWKOTPCHSA-N 0 0 439.468 1.540 50 0 IDAARN COc1ccc([C@@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@H]2NC(=O)CN2CCOCC2)cc1 ZINC000037434092 569196158 /nfs/dbraw/zinc/19/61/58/569196158.db2.gz BYANXPFTIDLYTK-VABKMULXSA-N 0 0 448.527 1.860 50 0 IDAARN Cc1ccccc1CN1CCCn2nc(C(=O)NCCC(=O)N3CCOCC3)cc2C1=O ZINC000037577752 569201441 /nfs/dbraw/zinc/20/14/41/569201441.db2.gz HAAPEDATQJHVQE-UHFFFAOYSA-N 0 0 439.516 1.216 50 0 IDAARN COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccc(OC)cc4)O[C@@H]3[C@H](O)[C@@H]2NC(C)=O)cc1 ZINC000252627694 569203548 /nfs/dbraw/zinc/20/35/48/569203548.db2.gz RZSHWDOZSGCONM-LLFXUEIYSA-N 0 0 445.468 1.787 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000252640591 569208686 /nfs/dbraw/zinc/20/86/86/569208686.db2.gz YVDQISGVEKVZDF-ONIAQPFYSA-N 0 0 448.564 1.643 50 0 IDAARN CCC(=O)N1CSC[C@@H]1C(=O)NC[C@](C)(CC)NC(=O)[C@H]1CSCN1C(=O)CC ZINC000252671966 569210065 /nfs/dbraw/zinc/21/00/65/569210065.db2.gz OTQLZSFWVWFVHN-LPMFXHHGSA-N 0 0 444.623 1.011 50 0 IDAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000252675611 569210312 /nfs/dbraw/zinc/21/03/12/569210312.db2.gz UMYRZFUHCXVESU-LJQANCHMSA-N 0 0 438.461 1.927 50 0 IDAARN CCn1cc(C=c2sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)c(C)n1 ZINC000252676559 569210420 /nfs/dbraw/zinc/21/04/20/569210420.db2.gz XKWVEXZLFVLRPN-KGVIQGDOSA-N 0 0 438.509 1.384 50 0 IDAARN COCCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OCCOC)C(=O)C[C@]1(C)O ZINC000016956772 569256922 /nfs/dbraw/zinc/25/69/22/569256922.db2.gz XDEMGJMCDOZVRB-WIRSXHRWSA-N 0 0 442.892 1.759 50 0 IDAARN Nc1cc(N)nc(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198399 569257395 /nfs/dbraw/zinc/25/73/95/569257395.db2.gz LQUJOZIAJWCDRL-KRWDZBQOSA-N 0 0 444.542 1.438 50 0 IDAARN CC(=O)OC[C@@H]1O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000143240341 569258874 /nfs/dbraw/zinc/25/88/74/569258874.db2.gz JCKOUAWEMPKIAT-YHDCXSKOSA-N 0 0 440.470 1.862 50 0 IDAARN COCCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@]12c1ccccc1NC2=O ZINC000002282848 569263451 /nfs/dbraw/zinc/26/34/51/569263451.db2.gz JSRBSYGVUOXATR-QHCPKHFHSA-N 0 0 434.404 1.784 50 0 IDAARN COCCOC(=O)C1=C(N)OC(C)=C(C(=O)OC(C)(C)C)[C@]12c1ccccc1NC2=O ZINC000002289077 569264209 /nfs/dbraw/zinc/26/42/09/569264209.db2.gz UNBKQTZIRKZPKN-JOCHJYFZSA-N 0 0 430.457 1.882 50 0 IDAARN Cn1c(=O)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)cnc2n(C)c1=O ZINC000253394716 569264561 /nfs/dbraw/zinc/26/45/61/569264561.db2.gz LPIICECIGSXBPT-KRWDZBQOSA-N 0 0 438.484 1.315 50 0 IDAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H](Cn2nccn2)c2ccccc2)cc1 ZINC000253398925 569264882 /nfs/dbraw/zinc/26/48/82/569264882.db2.gz HVOULBICEZRTMX-SFHVURJKSA-N 0 0 425.470 1.651 50 0 IDAARN CSCC[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nnc2ccccn21 ZINC000253413908 569266101 /nfs/dbraw/zinc/26/61/01/569266101.db2.gz VZARMXCNNLBOQQ-CVEARBPZSA-N 0 0 438.513 1.781 50 0 biogenic IDAARN CC(C)N(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C(C)C)[C@H](C)c1ccccc1 ZINC000253415550 569266258 /nfs/dbraw/zinc/26/62/58/569266258.db2.gz GCVYRORWFHIPJJ-SJLPKXTDSA-N 0 0 434.628 1.508 50 0 IDAARN O=C(CNc1cccc2c1OCC[C@@H]2O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000253419012 569266710 /nfs/dbraw/zinc/26/67/10/569266710.db2.gz GRQYICYOIMYCFZ-IBGZPJMESA-N 0 0 431.514 1.448 50 0 IDAARN COc1cc(CNC(=O)NC2CCN(c3cccc(C)n3)CC2)ccc1OCC(N)=O ZINC000253427190 569267387 /nfs/dbraw/zinc/26/73/87/569267387.db2.gz XGGYKVUTKZZSFY-UHFFFAOYSA-N 0 0 427.505 1.731 50 0 IDAARN COc1ccccc1[C@H](CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)N1CCCC1 ZINC000253427623 569267526 /nfs/dbraw/zinc/26/75/26/569267526.db2.gz GIMCDWLYYGITRR-AEFFLSMTSA-N 0 0 430.592 1.576 50 0 IDAARN NS(=O)(=O)c1cc(CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)ccc1F ZINC000253431825 569268502 /nfs/dbraw/zinc/26/85/02/569268502.db2.gz UIIDKPZUPMRVMU-UHFFFAOYSA-N 0 0 439.534 1.820 50 0 IDAARN Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1Cl ZINC000002351747 569282846 /nfs/dbraw/zinc/28/28/46/569282846.db2.gz CYBSLSZNCAHVRY-UHFFFAOYSA-N 0 0 438.922 1.691 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)cn1C ZINC000253472587 569282919 /nfs/dbraw/zinc/28/29/19/569282919.db2.gz NSVNJJKUSUGKEH-UHFFFAOYSA-N 0 0 446.982 1.776 50 0 IDAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000055142370 569292445 /nfs/dbraw/zinc/29/24/45/569292445.db2.gz FYTIZPQLNIJNMR-UHFFFAOYSA-N 0 0 446.529 1.461 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccccc3)CC2)c1 ZINC000012752902 569304783 /nfs/dbraw/zinc/30/47/83/569304783.db2.gz RUIFRPPJYGQCTG-UHFFFAOYSA-N 0 0 444.557 1.636 50 0 IDAARN CCOc1cc(C(=O)Nc2ccc(C(=O)NC)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000013039509 569307991 /nfs/dbraw/zinc/30/79/91/569307991.db2.gz NIEMPKFRAVMRTK-UHFFFAOYSA-N 0 0 441.484 1.935 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013097326 569309677 /nfs/dbraw/zinc/30/96/77/569309677.db2.gz IHVCDVQNXHSOGT-KSSFIOAISA-N 0 0 447.513 1.659 50 0 IDAARN CCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000013351907 569313289 /nfs/dbraw/zinc/31/32/89/569313289.db2.gz FJXXSUDTYAVCHG-UHFFFAOYSA-N 0 0 430.549 1.726 50 0 IDAARN CC(=O)c1ccc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000013359419 569313880 /nfs/dbraw/zinc/31/38/80/569313880.db2.gz PDYOZMJUUUJKIV-UHFFFAOYSA-N 0 0 449.442 1.925 50 0 IDAARN CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013371358 569314978 /nfs/dbraw/zinc/31/49/78/569314978.db2.gz AKFHZNGFJUPSQM-ROUUACIJSA-N 0 0 429.560 1.209 50 0 IDAARN COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2OC)cc1 ZINC000013371669 569315001 /nfs/dbraw/zinc/31/50/01/569315001.db2.gz MKAJHTTYRAAIMM-HKUYNNGSSA-N 0 0 425.528 1.433 50 0 IDAARN CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(F)cc2)cc1 ZINC000013372041 569315012 /nfs/dbraw/zinc/31/50/12/569315012.db2.gz RLNFGDITHOIUNE-OALUTQOASA-N 0 0 427.519 1.954 50 0 IDAARN COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000013371506 569315086 /nfs/dbraw/zinc/31/50/86/569315086.db2.gz AXDQKGBKIBADRS-HKUYNNGSSA-N 0 0 427.519 1.606 50 0 IDAARN Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1Cl ZINC000019201056 569316624 /nfs/dbraw/zinc/31/66/24/569316624.db2.gz LQQIGQZBJXDADK-UHFFFAOYSA-N 0 0 444.923 1.342 50 0 IDAARN CC12CN3CC(C)(CN(C1)C3c1c[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc31)C2=O ZINC000019312788 569317853 /nfs/dbraw/zinc/31/78/53/569317853.db2.gz LVFNXMLYMGPVRB-UHFFFAOYSA-N 0 0 444.557 1.414 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000019355106 569318862 /nfs/dbraw/zinc/31/88/62/569318862.db2.gz YSNFYAQYXRHVKQ-UHFFFAOYSA-N 0 0 445.472 1.230 50 0 IDAARN Cc1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000019362760 569319006 /nfs/dbraw/zinc/31/90/06/569319006.db2.gz AVFNTEPHYXMXBT-UHFFFAOYSA-N 0 0 430.526 1.755 50 0 IDAARN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)c1 ZINC000078869751 569319555 /nfs/dbraw/zinc/31/95/55/569319555.db2.gz WEDOYSWSBAYALK-QGZVFWFLSA-N 0 0 433.578 1.642 50 0 IDAARN COCCNC(=O)Cn1cc(NC(=O)c2nnn(-c3cccc4cccnc43)c2C)cn1 ZINC000078874735 569319578 /nfs/dbraw/zinc/31/95/78/569319578.db2.gz KCLODWPWJRGGKA-UHFFFAOYSA-N 0 0 434.460 1.335 50 0 IDAARN NS(=O)(=O)CCN1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000078963614 569320650 /nfs/dbraw/zinc/32/06/50/569320650.db2.gz BIHVKZUPHBCRLZ-UHFFFAOYSA-N 0 0 428.967 1.439 50 0 IDAARN CCOC(=O)c1c(C)c(CC)sc1NC(=O)COC(=O)[C@H](CC(=O)OC)NC(C)=O ZINC000079023158 569322533 /nfs/dbraw/zinc/32/25/33/569322533.db2.gz KHNKINUJMKGWCS-LBPRGKRZSA-N 0 0 442.490 1.345 50 0 IDAARN COc1cc(NC2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc(OC)c1 ZINC000079025625 569322803 /nfs/dbraw/zinc/32/28/03/569322803.db2.gz CLPGNRNJCIRCPZ-UHFFFAOYSA-N 0 0 448.545 1.866 50 0 IDAARN COc1ncnc(N(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000079061321 569323918 /nfs/dbraw/zinc/32/39/18/569323918.db2.gz ZTKOXGNYKLGNIL-ZIAGYGMSSA-N 0 0 449.533 1.601 50 0 IDAARN COCCn1c(SCC(N)=O)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000019630239 569324294 /nfs/dbraw/zinc/32/42/94/569324294.db2.gz NAAISXZSPYGQBG-AWEZNQCLSA-N 0 0 439.563 1.070 50 0 IDAARN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC[C@H](C)N1CCOCC1 ZINC000079069547 569324442 /nfs/dbraw/zinc/32/44/42/569324442.db2.gz LLFGYPFXQRQGRW-KGLIPLIRSA-N 0 0 433.368 1.696 50 0 IDAARN 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O=C(Nc1c[nH]c(=O)[nH]c1=O)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)ncn2)C1 ZINC000096124070 569385412 /nfs/dbraw/zinc/38/54/12/569385412.db2.gz CQIHUIYHIWCEFE-HNNXBMFYSA-N 0 0 431.456 1.652 50 0 IDAARN CCOc1cccc2cc(C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)c(=O)oc21 ZINC000096124229 569385544 /nfs/dbraw/zinc/38/55/44/569385544.db2.gz SQUZAKLYFPYNSU-UHFFFAOYSA-N 0 0 447.455 1.525 50 0 IDAARN COc1ccc(-c2nn(CC(=O)NCCCn3nc(C)cc3C)c(=O)cc2OC)cc1 ZINC000096183115 569386058 /nfs/dbraw/zinc/38/60/58/569386058.db2.gz YAFMRLISOUQUQB-UHFFFAOYSA-N 0 0 425.489 1.947 50 0 IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096221944 569387018 /nfs/dbraw/zinc/38/70/18/569387018.db2.gz VTAPNXIZDIJZCT-QYZOEREBSA-N 0 0 434.496 1.695 50 0 biogenic IDAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000096231426 569387627 /nfs/dbraw/zinc/38/76/27/569387627.db2.gz LLHCODCPJJBINP-IBGZPJMESA-N 0 0 437.500 1.640 50 0 IDAARN COc1ccc(-c2nnn(-c3nnc(SCC(N)=O)n3-c3ccccc3)n2)cc1OC ZINC000096246549 569387974 /nfs/dbraw/zinc/38/79/74/569387974.db2.gz BIAJEJQVIKYDBS-UHFFFAOYSA-N 0 0 438.473 1.505 50 0 IDAARN CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(C)cc(N4CCOCC4)n3)o2)CC1 ZINC000096279958 569389538 /nfs/dbraw/zinc/38/95/38/569389538.db2.gz NSKPSACCAUBDST-UHFFFAOYSA-N 0 0 445.545 1.811 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000096323258 569395118 /nfs/dbraw/zinc/39/51/18/569395118.db2.gz YXUXSPQUJGGHLB-UHFFFAOYSA-N 0 0 441.351 1.946 50 0 IDAARN COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)N1CCOCC1 ZINC000096324020 569395649 /nfs/dbraw/zinc/39/56/49/569395649.db2.gz JBFMETJXAYKMAB-UHFFFAOYSA-N 0 0 446.485 1.534 50 0 IDAARN O=C(Cc1ccccc1)NCC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000096324830 569396128 /nfs/dbraw/zinc/39/61/28/569396128.db2.gz PTTRFKXMKSPTRI-UHFFFAOYSA-N 0 0 432.484 1.115 50 0 IDAARN O=C(Cn1nc(C(=O)N2CCc3ccccc32)ccc1=O)NCc1nc2ccccc2[nH]1 ZINC000096328199 569396323 /nfs/dbraw/zinc/39/63/23/569396323.db2.gz DBPFLVVLKOCYCC-UHFFFAOYSA-N 0 0 428.452 1.639 50 0 IDAARN Cc1ccc([C@@H](CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)OCCO)cc1 ZINC000096338136 569396735 /nfs/dbraw/zinc/39/67/35/569396735.db2.gz JXEZOBFKKXFTNW-HXUWFJFHSA-N 0 0 430.526 1.859 50 0 IDAARN COCCNC(=O)Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O ZINC000096340633 569396750 /nfs/dbraw/zinc/39/67/50/569396750.db2.gz JPCZASVLTNHEEP-UHFFFAOYSA-N 0 0 428.836 1.629 50 0 IDAARN CN(C)C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)OCc1ccccc1 ZINC000096592654 569402050 /nfs/dbraw/zinc/40/20/50/569402050.db2.gz PDOZLICISBVAFH-UHFFFAOYSA-N 0 0 434.537 1.569 50 0 IDAARN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000055408405 569404736 /nfs/dbraw/zinc/40/47/36/569404736.db2.gz AGNQXJZCAOCAMQ-YJBOKZPZSA-N 0 0 443.930 1.798 50 0 IDAARN COc1ccc(N2C(=O)CN(CCc3cccc(OC)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055408596 569404754 /nfs/dbraw/zinc/40/47/54/569404754.db2.gz OLOJIFBFXVFXQT-LEWJYISDSA-N 0 0 430.526 1.761 50 0 IDAARN CCCCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@@]12c1ccccc1NC2=O ZINC000002483487 569404986 /nfs/dbraw/zinc/40/49/86/569404986.db2.gz AJTRHOSDDGBAEE-QFIPXVFZSA-N 0 0 430.457 1.884 50 0 IDAARN COc1cc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc(OC)c1OC ZINC000225605948 569405612 /nfs/dbraw/zinc/40/56/12/569405612.db2.gz DVAYHGHDUPETCL-UHFFFAOYSA-N 0 0 428.489 1.843 50 0 IDAARN COc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2CCCCO)cc1OC ZINC000002504157 569406242 /nfs/dbraw/zinc/40/62/42/569406242.db2.gz FRDKAKOTHYQKFC-UHFFFAOYSA-N 0 0 427.461 1.143 50 0 IDAARN Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1 ZINC000028052811 569406798 /nfs/dbraw/zinc/40/67/98/569406798.db2.gz ZDWGSNZJUXIRJH-UHFFFAOYSA-N 0 0 429.498 1.895 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225731660 569407668 /nfs/dbraw/zinc/40/76/68/569407668.db2.gz ZPSUROCXXWRRSD-UHFFFAOYSA-N 0 0 436.437 1.854 50 0 IDAARN Cc1noc(-c2cccn3c(CNS(=O)(=O)c4c(C)nn(C(C)C)c4C)nnc23)n1 ZINC000225749950 569408084 /nfs/dbraw/zinc/40/80/84/569408084.db2.gz VLVYDIDGPLUNPB-UHFFFAOYSA-N 0 0 430.494 1.960 50 0 IDAARN Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000002628475 569411962 /nfs/dbraw/zinc/41/19/62/569411962.db2.gz RFUIVUQBAYXUJJ-UHFFFAOYSA-N 0 0 446.525 1.987 50 0 IDAARN C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)C[C@H](C)O1 ZINC000215685907 569412150 /nfs/dbraw/zinc/41/21/50/569412150.db2.gz HARZAVKWKDZNJH-UHIISALHSA-N 0 0 443.572 1.093 50 0 IDAARN Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000002650356 569414802 /nfs/dbraw/zinc/41/48/02/569414802.db2.gz UMFIMMHTQJOSGB-UHFFFAOYSA-N 0 0 433.968 1.399 50 0 IDAARN CCn1nc(C)c(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c1C ZINC000002732959 569419572 /nfs/dbraw/zinc/41/95/72/569419572.db2.gz LKXSOMWKMWZSPZ-QGZVFWFLSA-N 0 0 436.582 1.621 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@H](O)COc2ccc(F)cc2)c1=O ZINC000028918829 569423418 /nfs/dbraw/zinc/42/34/18/569423418.db2.gz UFGFRMTYBBMIHW-HNNXBMFYSA-N 0 0 437.493 1.652 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)CC1 ZINC000056903794 569427500 /nfs/dbraw/zinc/42/75/00/569427500.db2.gz XFSBUGLELZKPHB-QGZVFWFLSA-N 0 0 447.536 1.603 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000056907939 569427706 /nfs/dbraw/zinc/42/77/06/569427706.db2.gz SVFJSFURWZXFBK-QGZVFWFLSA-N 0 0 446.529 1.551 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)ccc1OCC(=O)N(C)C ZINC000226686049 569427804 /nfs/dbraw/zinc/42/78/04/569427804.db2.gz ACTLIOMEAFAFGX-MRXNPFEDSA-N 0 0 425.551 1.387 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000056938857 569427806 /nfs/dbraw/zinc/42/78/06/569427806.db2.gz PVHAYIIJVBMAKU-HXUWFJFHSA-N 0 0 445.589 1.298 50 0 IDAARN COC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1Cl ZINC000226686307 569427851 /nfs/dbraw/zinc/42/78/51/569427851.db2.gz NWIUCUMVQCKFOS-CYBMUJFWSA-N 0 0 432.926 1.817 50 0 IDAARN COCCn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952882 569428609 /nfs/dbraw/zinc/42/86/09/569428609.db2.gz LYKGXQMTXCCPDZ-UHFFFAOYSA-N 0 0 432.912 1.045 50 0 IDAARN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@@]23c2cc(F)ccc2NC3=O)c1 ZINC000057134954 569429741 /nfs/dbraw/zinc/42/97/41/569429741.db2.gz BWVOSGLKSGXESM-SIMDFCGZSA-N 0 0 442.447 1.483 50 0 IDAARN CCN(CC)S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000057323251 569431187 /nfs/dbraw/zinc/43/11/87/569431187.db2.gz FDNXRXMZSVZUOY-CQSZACIVSA-N 0 0 447.399 1.980 50 0 IDAARN CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000057347450 569431268 /nfs/dbraw/zinc/43/12/68/569431268.db2.gz VPSZPHYXGLPMAH-MRXNPFEDSA-N 0 0 438.550 1.572 50 0 IDAARN CC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000057350709 569431271 /nfs/dbraw/zinc/43/12/71/569431271.db2.gz HAGCGAZWLWKJKZ-UHFFFAOYSA-N 0 0 444.557 1.018 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 ZINC000057415501 569434105 /nfs/dbraw/zinc/43/41/05/569434105.db2.gz VMGZKUZGOLEXTG-LJQANCHMSA-N 0 0 430.505 1.454 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000057415829 569434237 /nfs/dbraw/zinc/43/42/37/569434237.db2.gz ROWBZNWQXMJMCU-IBGZPJMESA-N 0 0 430.505 1.454 50 0 IDAARN COC(=O)c1sc2nc(SCc3cc(=O)n4ccccc4n3)n(N)c(=O)c2c1C ZINC000003018511 569435539 /nfs/dbraw/zinc/43/55/39/569435539.db2.gz RDQFOOAMVMKYRV-UHFFFAOYSA-N 0 0 429.483 1.567 50 0 IDAARN Cc1cc(C)n(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000057478119 569435855 /nfs/dbraw/zinc/43/58/55/569435855.db2.gz CNVKUGNEUVUYKU-UHFFFAOYSA-N 0 0 446.508 1.572 50 0 IDAARN COc1ccc(CCN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000230099338 569436278 /nfs/dbraw/zinc/43/62/78/569436278.db2.gz DSFWKBREMJZELW-NHCUHLMSSA-N 0 0 430.526 1.761 50 0 IDAARN COCCCNC(=O)Cn1nc2c(-c3nc(-c4cccc(F)c4)no3)cccn2c1=O ZINC000057504197 569438143 /nfs/dbraw/zinc/43/81/43/569438143.db2.gz GELZLWLXBMFRFC-UHFFFAOYSA-N 0 0 426.408 1.505 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)c1OC ZINC000057507440 569438332 /nfs/dbraw/zinc/43/83/32/569438332.db2.gz XDBBTYZFWJDMNF-UHFFFAOYSA-N 0 0 434.456 1.968 50 0 IDAARN Cc1ccc2c(c1)N(C(=O)Cn1c3nc(N4CCCC4)sc3c(=O)n(C)c1=O)CCO2 ZINC000057520629 569438769 /nfs/dbraw/zinc/43/87/69/569438769.db2.gz RURGOVLLBVSNTJ-UHFFFAOYSA-N 0 0 441.513 1.491 50 0 IDAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2nc(N3CCCC3)sc2c(=O)n(C)c1=O ZINC000057520600 569438772 /nfs/dbraw/zinc/43/87/72/569438772.db2.gz AODJEXJAPZNKRL-HNNXBMFYSA-N 0 0 441.557 1.894 50 0 IDAARN COC(=O)c1ccccc1NC(=O)Cn1c2nc(N3CCCC3)sc2c(=O)n(C)c1=O ZINC000057520499 569438780 /nfs/dbraw/zinc/43/87/80/569438780.db2.gz WVDCSDBELAFNSW-UHFFFAOYSA-N 0 0 443.485 1.182 50 0 IDAARN Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)N[C@H]2CCc3ccccc32)c1=O ZINC000057520750 569438797 /nfs/dbraw/zinc/43/87/97/569438797.db2.gz MHWIIWWFDVTIMI-HNNXBMFYSA-N 0 0 425.514 1.561 50 0 IDAARN Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)N[C@@H]2CCc3ccccc32)c1=O ZINC000057520748 569438820 /nfs/dbraw/zinc/43/88/20/569438820.db2.gz MHWIIWWFDVTIMI-OAHLLOKOSA-N 0 0 425.514 1.561 50 0 IDAARN COc1ccc([C@H](C)NC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)cc1 ZINC000057522457 569439024 /nfs/dbraw/zinc/43/90/24/569439024.db2.gz RKEUEEBPTQHYFY-ZDUSSCGKSA-N 0 0 443.529 1.643 50 0 IDAARN Cc1nonc1OCC(C)(COc1nonc1C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003095100 569440040 /nfs/dbraw/zinc/44/00/40/569440040.db2.gz PQNJUPLYXQEWDJ-UHFFFAOYSA-N 0 0 443.869 1.918 50 0 IDAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003203428 569441669 /nfs/dbraw/zinc/44/16/69/569441669.db2.gz YQUXDHXLMDAIOP-UHFFFAOYSA-N 0 0 436.877 1.783 50 0 IDAARN Cc1cc(NC(=O)CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)no1 ZINC000057886136 569442482 /nfs/dbraw/zinc/44/24/82/569442482.db2.gz MYTFPMRGPKBEIA-UHFFFAOYSA-N 0 0 428.880 1.943 50 0 IDAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003246778 569442731 /nfs/dbraw/zinc/44/27/31/569442731.db2.gz VHRQJBZXUDENRJ-INIZCTEOSA-N 0 0 444.509 1.842 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C ZINC000003245384 569442759 /nfs/dbraw/zinc/44/27/59/569442759.db2.gz LCXSZAWUOSKPNH-UHFFFAOYSA-N 0 0 431.445 1.543 50 0 IDAARN Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000057985109 569443963 /nfs/dbraw/zinc/44/39/63/569443963.db2.gz DUULYIHIHIQEQS-UHFFFAOYSA-N 0 0 438.532 1.701 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](C)CC2)cc1OC ZINC000058009230 569444741 /nfs/dbraw/zinc/44/47/41/569444741.db2.gz ORHPOIWWAFPSMA-UHFFFAOYSA-N 0 0 435.502 1.955 50 0 IDAARN O=C(COC(=O)CCS(=O)(=O)c1ccccc1Cl)NC(=O)NCc1ccco1 ZINC000003302414 569445065 /nfs/dbraw/zinc/44/50/65/569445065.db2.gz ZDYMYQFZZFGTKF-UHFFFAOYSA-N 0 0 428.850 1.666 50 0 IDAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCc2ccccc21 ZINC000003317741 569445817 /nfs/dbraw/zinc/44/58/17/569445817.db2.gz VXPDDTWZDNEHRK-UHFFFAOYSA-N 0 0 427.526 1.889 50 0 IDAARN COC(=O)c1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc(C(=O)OC)c1 ZINC000003318304 569445823 /nfs/dbraw/zinc/44/58/23/569445823.db2.gz HWPQHUGAZUWEEN-UHFFFAOYSA-N 0 0 431.445 1.843 50 0 IDAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NCCN1C(=O)CSC1=O ZINC000003322607 569446046 /nfs/dbraw/zinc/44/60/46/569446046.db2.gz LSXPTUUHAGTTNY-UHFFFAOYSA-N 0 0 430.486 1.517 50 0 IDAARN Cc1cc(C)n2c(nnc2SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1 ZINC000003323032 569446072 /nfs/dbraw/zinc/44/60/72/569446072.db2.gz YFZRSSPYPYRTKM-IBGZPJMESA-N 0 0 425.474 1.332 50 0 IDAARN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000003350756 569447356 /nfs/dbraw/zinc/44/73/56/569447356.db2.gz HNDXUALNYDCEQO-FQEVSTJZSA-N 0 0 445.516 1.632 50 0 IDAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c2C1 ZINC000003359766 569447797 /nfs/dbraw/zinc/44/77/97/569447797.db2.gz VQBFOWLZIZZBNN-GFCCVEGCSA-N 0 0 436.468 1.379 50 0 IDAARN Cn1c(N)c(C(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c(=O)n(C)c1=O ZINC000003378602 569448718 /nfs/dbraw/zinc/44/87/18/569448718.db2.gz BCJPQMHRJUWAKF-UHFFFAOYSA-N 0 0 441.300 1.733 50 0 IDAARN Cc1cc(C)n2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)nc2n1 ZINC000003383677 569448886 /nfs/dbraw/zinc/44/88/86/569448886.db2.gz KFKXOJIFEGFNBI-UHFFFAOYSA-N 0 0 446.558 1.366 50 0 IDAARN NC(=O)[C@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)Cc1ccc(F)cc1 ZINC000058153700 569448910 /nfs/dbraw/zinc/44/89/10/569448910.db2.gz QOJMKAHREJFLIY-KRWDZBQOSA-N 0 0 438.459 1.535 50 0 IDAARN C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)NC(N)=O ZINC000003481951 569452320 /nfs/dbraw/zinc/45/23/20/569452320.db2.gz QNOMPZKWBDGUFX-NSHDSACASA-N 0 0 439.877 1.559 50 0 IDAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C ZINC000003483816 569452390 /nfs/dbraw/zinc/45/23/90/569452390.db2.gz BMHYXCMOOUMTPH-UHFFFAOYSA-N 0 0 431.445 1.543 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ncnc4sccc43)CC2)cc1 ZINC000003512511 569453024 /nfs/dbraw/zinc/45/30/24/569453024.db2.gz ISSPZEGMNSPLBM-UHFFFAOYSA-N 0 0 432.527 1.912 50 0 IDAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)NCc1ccccc1 ZINC000003525551 569453298 /nfs/dbraw/zinc/45/32/98/569453298.db2.gz DQMNUDXXAKHPQK-UHFFFAOYSA-N 0 0 436.461 1.320 50 0 IDAARN COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000003557082 569453933 /nfs/dbraw/zinc/45/39/33/569453933.db2.gz QDIFAXQAYCVJKC-UHFFFAOYSA-N 0 0 446.525 1.932 50 0 IDAARN CCCn1c2ccccc2n(CCC(=O)N2CCC(NS(=O)(=O)CCC)CC2)c1=O ZINC000031598037 569456789 /nfs/dbraw/zinc/45/67/89/569456789.db2.gz FEBQKDYRNZJMLC-UHFFFAOYSA-N 0 0 436.578 1.924 50 0 IDAARN C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C[C@H](C)O1 ZINC000031713664 569457053 /nfs/dbraw/zinc/45/70/53/569457053.db2.gz HXWRUWNZHLKBOQ-HOTGVXAUSA-N 0 0 449.573 1.615 50 0 IDAARN O=S(=O)(Nc1ccccc1F)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772934 569457289 /nfs/dbraw/zinc/45/72/89/569457289.db2.gz CJHZKEMMDYGYCW-AWEZNQCLSA-N 0 0 433.504 1.587 50 0 IDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F)C(=O)OC ZINC000031808315 569457547 /nfs/dbraw/zinc/45/75/47/569457547.db2.gz JVLAOMGRSXSNLH-YOEHRIQHSA-N 0 0 438.843 1.964 50 0 IDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000031810566 569457699 /nfs/dbraw/zinc/45/76/99/569457699.db2.gz NKLDNPWHTWWIHH-MAUKXSAKSA-N 0 0 434.424 1.319 50 0 IDAARN CC[C@H](C)NC(=O)c1ccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000059061397 569458811 /nfs/dbraw/zinc/45/88/11/569458811.db2.gz CHUHENJIVYCEFF-HNNXBMFYSA-N 0 0 442.541 1.912 50 0 IDAARN Cn1c(=O)[nH]c(=O)c2c1NC(=O)N[C@H]2c1ccc(OCC(=O)N2CCc3ccccc32)cc1 ZINC000032094795 569459774 /nfs/dbraw/zinc/45/97/74/569459774.db2.gz PCKZIFLBXHSRAI-IBGZPJMESA-N 0 0 447.451 1.266 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NN=c2ccc(S(=O)(=O)N3CCOCC3)c[nH]2)c1 ZINC000032093689 569459797 /nfs/dbraw/zinc/45/97/97/569459797.db2.gz SLUSMWTXTGZZOH-UHFFFAOYSA-N 0 0 426.520 1.025 50 0 IDAARN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000032094984 569459845 /nfs/dbraw/zinc/45/98/45/569459845.db2.gz DEQCDKQGQNKASV-KRWDZBQOSA-N 0 0 440.452 1.979 50 0 IDAARN c1ccc(C2=NP(N3CCOCC3)(N3CCOCC3)=NC(N3CCOCC3)=N2)cc1 ZINC000004162248 569460552 /nfs/dbraw/zinc/46/05/52/569460552.db2.gz RCNZEVOGTFOMHL-UHFFFAOYSA-N 0 0 432.465 1.746 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000032333180 569461368 /nfs/dbraw/zinc/46/13/68/569461368.db2.gz TYPBOXHMYLELRS-FQEVSTJZSA-N 0 0 442.539 1.699 50 0 IDAARN COC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)C(C)C)S(C)(=O)=O)cc12 ZINC000008753912 569473817 /nfs/dbraw/zinc/47/38/17/569473817.db2.gz ZUMKPSPBYWTRLB-UHFFFAOYSA-N 0 0 430.504 1.493 50 0 IDAARN CCCC(=O)N(c1ccc2c(c1)c(C(=O)OC)c(C)n2S(C)(=O)=O)S(C)(=O)=O ZINC000008753917 569473818 /nfs/dbraw/zinc/47/38/18/569473818.db2.gz IUJSWHCHPVUZGJ-UHFFFAOYSA-N 0 0 430.504 1.637 50 0 IDAARN CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000038240349 569462528 /nfs/dbraw/zinc/46/25/28/569462528.db2.gz SWEAVWUFGJBWNA-UHFFFAOYSA-N 0 0 425.551 1.459 50 0 IDAARN CC(C)n1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)n1 ZINC000038499239 569463144 /nfs/dbraw/zinc/46/31/44/569463144.db2.gz IGDNMQUALQKMHL-UHFFFAOYSA-N 0 0 446.489 1.787 50 0 IDAARN O=C(Cc1csc(NC(=O)c2ccsc2)n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000038575665 569464065 /nfs/dbraw/zinc/46/40/65/569464065.db2.gz CHLUKFPZNWPMFQ-OAHLLOKOSA-N 0 0 434.543 1.849 50 0 IDAARN COC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000067204941 569464607 /nfs/dbraw/zinc/46/46/07/569464607.db2.gz RGSOPUIESTXTAJ-IBGZPJMESA-N 0 0 442.447 1.658 50 0 IDAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(C(C)=O)c4)c(=O)c3s2)CC1 ZINC000067225937 569465233 /nfs/dbraw/zinc/46/52/33/569465233.db2.gz IVBHLZOWBCWBFF-UHFFFAOYSA-N 0 0 440.529 1.836 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O ZINC000067245864 569465923 /nfs/dbraw/zinc/46/59/23/569465923.db2.gz UIUAIAFAVOHGFP-UHFFFAOYSA-N 0 0 441.893 1.170 50 0 IDAARN COc1ccccc1-n1ccn(CC(=O)NCc2cccc(OC)c2OC)c(=O)c1=O ZINC000067256413 569466112 /nfs/dbraw/zinc/46/61/12/569466112.db2.gz KRLGFQVQDGYCTA-UHFFFAOYSA-N 0 0 425.441 1.341 50 0 IDAARN Cc1nccn1-c1cc(NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(C)n1 ZINC000038670587 569466437 /nfs/dbraw/zinc/46/64/37/569466437.db2.gz MUPSLCPEPQRKLF-UHFFFAOYSA-N 0 0 443.533 1.371 50 0 IDAARN COc1ccc(-n2c(=O)nc3nc(N4CCN(c5ccccn5)CC4)[nH]cc-3c2=O)cc1 ZINC000067264233 569466761 /nfs/dbraw/zinc/46/67/61/569466761.db2.gz WZIRFYBGWIEEEE-UHFFFAOYSA-N 0 0 431.456 1.612 50 0 IDAARN CCOC(=O)N1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3Cl)NC(=O)N2)CC1 ZINC000067285834 569466974 /nfs/dbraw/zinc/46/69/74/569466974.db2.gz PKEDQMPWVILJSS-QGZVFWFLSA-N 0 0 436.896 1.895 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286843 569467043 /nfs/dbraw/zinc/46/70/43/569467043.db2.gz LCFKEYUUBHSKHT-FQEVSTJZSA-N 0 0 430.505 1.421 50 0 IDAARN CCOc1ccc([C@H]2NC(=O)N=C(CN3CCC4(CC3)OCCO4)C2C(=O)OC)cc1 ZINC000067287155 569467105 /nfs/dbraw/zinc/46/71/05/569467105.db2.gz QQLSSJZXHYDBJV-LJQANCHMSA-N 0 0 431.489 1.705 50 0 IDAARN CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000067287397 569467238 /nfs/dbraw/zinc/46/72/38/569467238.db2.gz MBEAJPYSVSOVOW-IBGZPJMESA-N 0 0 435.477 1.216 50 0 IDAARN Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1CCO ZINC000067301030 569468252 /nfs/dbraw/zinc/46/82/52/569468252.db2.gz DDMVOECEVSXPNT-UHFFFAOYSA-N 0 0 439.443 1.938 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)CC1 ZINC000038739513 569468411 /nfs/dbraw/zinc/46/84/11/569468411.db2.gz YQOMAAMKPQDEKF-BQYQJAHWSA-N 0 0 434.543 1.441 50 0 IDAARN Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1CCO ZINC000067316839 569468424 /nfs/dbraw/zinc/46/84/24/569468424.db2.gz RJWHPTFGISSIEC-UHFFFAOYSA-N 0 0 439.443 1.938 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)cc1 ZINC000067318836 569468507 /nfs/dbraw/zinc/46/85/07/569468507.db2.gz IZVGIOPGHGHHIG-UHFFFAOYSA-N 0 0 449.463 1.899 50 0 IDAARN Cc1cc(C)n2nc(SCC(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)nc2n1 ZINC000008621828 569469423 /nfs/dbraw/zinc/46/94/23/569469423.db2.gz DQFFRBZZEZQQNE-IBGZPJMESA-N 0 0 425.474 1.332 50 0 IDAARN Cc1cc(C)n2nc(SCC(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)nc2n1 ZINC000008621827 569469447 /nfs/dbraw/zinc/46/94/47/569469447.db2.gz DQFFRBZZEZQQNE-LJQANCHMSA-N 0 0 425.474 1.332 50 0 IDAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCN2C(=O)c3ccccc3S2(=O)=O)C1=O ZINC000008622868 569469477 /nfs/dbraw/zinc/46/94/77/569469477.db2.gz NQACYLLKIJHNSZ-IBGZPJMESA-N 0 0 433.873 1.952 50 0 IDAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCN2C(=O)c3ccccc3S2(=O)=O)C1=O ZINC000008622870 569469482 /nfs/dbraw/zinc/46/94/82/569469482.db2.gz NQACYLLKIJHNSZ-LJQANCHMSA-N 0 0 433.873 1.952 50 0 IDAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CNC(=O)COc1ccccc1 ZINC000008625512 569469489 /nfs/dbraw/zinc/46/94/89/569469489.db2.gz YOMKCEVXPRTUMI-UHFFFAOYSA-N 0 0 447.875 1.475 50 0 IDAARN CN(CC(=O)OCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008631895 569469534 /nfs/dbraw/zinc/46/95/34/569469534.db2.gz WMMLKONHHQYKAY-UHFFFAOYSA-N 0 0 436.873 1.800 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cccs3)CC2)CC1 ZINC000038947024 569469687 /nfs/dbraw/zinc/46/96/87/569469687.db2.gz MDTFJZPXHPGZQQ-HOTGVXAUSA-N 0 0 425.576 1.194 50 0 IDAARN CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000008706376 569470522 /nfs/dbraw/zinc/47/05/22/569470522.db2.gz AUHOFGYPZWYIQD-UHFFFAOYSA-N 0 0 430.896 1.831 50 0 IDAARN COCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cc(OC)ccc2OC)n(C)c1=O ZINC000008708342 569470680 /nfs/dbraw/zinc/47/06/80/569470680.db2.gz CLIKOCDBGAWBFE-UHFFFAOYSA-N 0 0 427.461 1.419 50 0 IDAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CC(C)=O)c(=O)n2C)c(OC)c1 ZINC000008708384 569470689 /nfs/dbraw/zinc/47/06/89/569470689.db2.gz LOCWMHRSVJXVBL-UHFFFAOYSA-N 0 0 425.445 1.362 50 0 IDAARN COc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n([C@H](C)C(C)=O)c(=O)n2C)c(OC)c1 ZINC000008708917 569470718 /nfs/dbraw/zinc/47/07/18/569470718.db2.gz DJUFUAXJZXCHGC-CYBMUJFWSA-N 0 0 439.472 1.923 50 0 IDAARN CCOC(=O)c1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CC(C)=O)c(=O)n2C)cc1 ZINC000008708912 569470724 /nfs/dbraw/zinc/47/07/24/569470724.db2.gz PEAHPYUDQPAEHS-UHFFFAOYSA-N 0 0 437.456 1.521 50 0 IDAARN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000008709001 569470765 /nfs/dbraw/zinc/47/07/65/569470765.db2.gz KBCCCLKUOGVKFN-QGZVFWFLSA-N 0 0 443.554 1.784 50 0 IDAARN CCCCn1c2nc(CSc3nnc(NCCOC)s3)n(CC)c2c(=O)[nH]c1=O ZINC000008725009 569472088 /nfs/dbraw/zinc/47/20/88/569472088.db2.gz NXKCSGGLIZKYHL-UHFFFAOYSA-N 0 0 439.567 1.908 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)cc1 ZINC000008727182 569472345 /nfs/dbraw/zinc/47/23/45/569472345.db2.gz MXOLDJFWPJTTSJ-UHFFFAOYSA-N 0 0 426.502 1.508 50 0 IDAARN COC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000008740210 569472805 /nfs/dbraw/zinc/47/28/05/569472805.db2.gz ADMJLYBDWQKZEB-IAGOWNOFSA-N 0 0 447.488 1.134 50 0 biogenic IDAARN O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1cc2c(s1)CCC2 ZINC000008748603 569473253 /nfs/dbraw/zinc/47/32/53/569473253.db2.gz YSHPORJTLZLNAU-AWEZNQCLSA-N 0 0 440.568 1.955 50 0 IDAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000008753182 569473670 /nfs/dbraw/zinc/47/36/70/569473670.db2.gz HMJXKSGZKJGYIS-UHFFFAOYSA-N 0 0 445.457 1.843 50 0 IDAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000008789333 569475950 /nfs/dbraw/zinc/47/59/50/569475950.db2.gz IXMYOIIKCORRQG-FAODYONGSA-N 0 0 435.436 1.485 50 0 biogenic IDAARN CC[C@@H](C)N(C(=O)COC(=O)c1cncc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000008824615 569477177 /nfs/dbraw/zinc/47/71/77/569477177.db2.gz YAARNNXVCJLYID-BXUZGUMPSA-N 0 0 433.324 1.815 50 0 IDAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)CSc1nnnn1C ZINC000008824425 569477187 /nfs/dbraw/zinc/47/71/87/569477187.db2.gz QDTQOVATAXOYJM-UHFFFAOYSA-N 0 0 440.551 1.970 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2CCC)c(=O)[nH]c1=O ZINC000008824987 569477309 /nfs/dbraw/zinc/47/73/09/569477309.db2.gz MXGICZMYAUHXQS-UHFFFAOYSA-N 0 0 429.502 1.624 50 0 IDAARN COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C(C)=O)cc2)c(=O)c3=O)cc1 ZINC000008849198 569479174 /nfs/dbraw/zinc/47/91/74/569479174.db2.gz TTXYMEVZOMOCMX-UHFFFAOYSA-N 0 0 435.440 1.407 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1OC ZINC000008848909 569479199 /nfs/dbraw/zinc/47/91/99/569479199.db2.gz LMCONVVMHLIBLX-UHFFFAOYSA-N 0 0 441.419 1.352 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1 ZINC000008848931 569479203 /nfs/dbraw/zinc/47/92/03/569479203.db2.gz LZDRRGXKTYWULC-UHFFFAOYSA-N 0 0 439.403 1.121 50 0 IDAARN Cc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc4c(c2)OCCO4)c(=O)c3=O)cc1 ZINC000008849687 569479292 /nfs/dbraw/zinc/47/92/92/569479292.db2.gz WFAIWPVGJYCAOL-UHFFFAOYSA-N 0 0 435.440 1.275 50 0 IDAARN CC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)c3ccncc3)S(C)(=O)=O)cc21 ZINC000008870469 569480657 /nfs/dbraw/zinc/48/06/57/569480657.db2.gz CYDCWPMFOFKAHZ-UHFFFAOYSA-N 0 0 449.510 1.961 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(I)cc2)cc1 ZINC000008878767 569481286 /nfs/dbraw/zinc/48/12/86/569481286.db2.gz FHVFYNMPJZYPKN-UHFFFAOYSA-N 0 0 430.267 1.911 50 0 IDAARN CCN(CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)CC(=O)NC(C)(C)C ZINC000039990545 569482291 /nfs/dbraw/zinc/48/22/91/569482291.db2.gz KEKOZSLIBXEWQK-UHFFFAOYSA-N 0 0 441.598 1.178 50 0 IDAARN COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000039985761 569482320 /nfs/dbraw/zinc/48/23/20/569482320.db2.gz YKLIXMBSGOJYPO-UHFFFAOYSA-N 0 0 430.486 1.728 50 0 IDAARN Cc1cc(C)n(CCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)n1 ZINC000039995426 569482373 /nfs/dbraw/zinc/48/23/73/569482373.db2.gz VTFLTVAUAKVYHN-IBGZPJMESA-N 0 0 434.562 1.548 50 0 IDAARN C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000039995752 569482378 /nfs/dbraw/zinc/48/23/78/569482378.db2.gz SBMXHJUKBKKZGJ-HUBLWGQQSA-N 0 0 438.531 1.112 50 0 IDAARN CCn1c(=O)c2ccccc2n(CC(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1=O ZINC000040013532 569482562 /nfs/dbraw/zinc/48/25/62/569482562.db2.gz WIZGAFXUSBHXRA-UHFFFAOYSA-N 0 0 434.496 1.604 50 0 IDAARN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000068955902 569484200 /nfs/dbraw/zinc/48/42/00/569484200.db2.gz QQXXQOYWSUHVSM-UHFFFAOYSA-N 0 0 425.308 1.454 50 0 IDAARN CCc1ccc([C@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)N(C)C)cc1 ZINC000040058504 569484706 /nfs/dbraw/zinc/48/47/06/569484706.db2.gz BOFUJVRDPAKNFH-IBGZPJMESA-N 0 0 425.576 1.738 50 0 IDAARN O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000040074482 569486246 /nfs/dbraw/zinc/48/62/46/569486246.db2.gz VRUKQEYAGQXLMC-UHFFFAOYSA-N 0 0 426.292 1.696 50 0 IDAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1nnnn1-c1ccccc1 ZINC000040089680 569487102 /nfs/dbraw/zinc/48/71/02/569487102.db2.gz ITBLCXQYBHQDJQ-CQSZACIVSA-N 0 0 432.531 1.932 50 0 IDAARN Cn1c2nc(NCCCCO)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000008926352 569487262 /nfs/dbraw/zinc/48/72/62/569487262.db2.gz FTFBKLZHTKDYHY-UHFFFAOYSA-N 0 0 426.304 1.973 50 0 IDAARN Cc1cc(C)n2nc(CC(=O)Nc3cc(C(C)(C)C)nn3[C@@H]3CCS(=O)(=O)C3)nc2n1 ZINC000040089942 569487408 /nfs/dbraw/zinc/48/74/08/569487408.db2.gz IOURGZHYIFCFNY-CQSZACIVSA-N 0 0 445.549 1.776 50 0 IDAARN CCS(=O)(=O)N(C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000040094804 569487498 /nfs/dbraw/zinc/48/74/98/569487498.db2.gz WQNQBNSLEUFXQQ-FQEVSTJZSA-N 0 0 431.558 1.816 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3nn4c(nc(C)cc4=O)s3)C2)CC1 ZINC000008933780 569487832 /nfs/dbraw/zinc/48/78/32/569487832.db2.gz SEEJPWRJNNBQGS-AWEZNQCLSA-N 0 0 448.549 1.413 50 0 IDAARN COc1ccc(CCNC(=O)[C@@H]2CCCN2c2nn3c(nc(C)cc3=O)s2)cc1OC ZINC000008933814 569487871 /nfs/dbraw/zinc/48/78/71/569487871.db2.gz WWHZUWVQVCPORR-HNNXBMFYSA-N 0 0 443.529 1.804 50 0 IDAARN O=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008936940 569488077 /nfs/dbraw/zinc/48/80/77/569488077.db2.gz YOPJNYZJBCBPGF-UHFFFAOYSA-N 0 0 448.508 1.962 50 0 IDAARN C[C@H]1CN(c2ccc(CNC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cn2)C[C@H](C)O1 ZINC000040106840 569488430 /nfs/dbraw/zinc/48/84/30/569488430.db2.gz JSAPIFMNGRSVCF-IRXDYDNUSA-N 0 0 443.548 1.956 50 0 IDAARN O=C(NCc1ccc(-n2cncn2)nc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000040107053 569488454 /nfs/dbraw/zinc/48/84/54/569488454.db2.gz DOGCEPYAOGBJTH-DLBZAZTESA-N 0 0 426.477 1.261 50 0 IDAARN COCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc2c(c1)OCO2 ZINC000008943450 569488788 /nfs/dbraw/zinc/48/87/88/569488788.db2.gz NVHMLYOUODNERA-UHFFFAOYSA-N 0 0 430.490 1.765 50 0 IDAARN C[C@@]1(c2cccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)c2)NC(=O)NC1=O ZINC000040111194 569488811 /nfs/dbraw/zinc/48/88/11/569488811.db2.gz TULLARGKWHFAIF-FQEVSTJZSA-N 0 0 427.461 1.325 50 0 IDAARN COCCNc1nc(SC)nc2c1cnn2CCNC(=O)COc1ccccc1F ZINC000008943858 569488879 /nfs/dbraw/zinc/48/88/79/569488879.db2.gz AZFHNANYBNXQKA-UHFFFAOYSA-N 0 0 434.497 1.941 50 0 IDAARN O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NCC(F)(F)F ZINC000008946052 569489036 /nfs/dbraw/zinc/48/90/36/569489036.db2.gz XDRJHASYEHHHTF-UHFFFAOYSA-N 0 0 439.437 1.619 50 0 IDAARN O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000008945437 569489069 /nfs/dbraw/zinc/48/90/69/569489069.db2.gz YFLSGOCNZMMZSG-UHFFFAOYSA-N 0 0 437.500 1.544 50 0 IDAARN Cc1ccc(CNC(=O)[C@H](C)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000040135405 569490691 /nfs/dbraw/zinc/49/06/91/569490691.db2.gz ODHGHJFOWLSDBO-KRWDZBQOSA-N 0 0 426.542 1.766 50 0 IDAARN COc1ccccc1OCCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000008965479 569491451 /nfs/dbraw/zinc/49/14/51/569491451.db2.gz FTDFWFVJUHLTTH-INIZCTEOSA-N 0 0 429.498 1.804 50 0 IDAARN CC(C)c1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000040145415 569492084 /nfs/dbraw/zinc/49/20/84/569492084.db2.gz XURSNCAYEFDFAW-HNNXBMFYSA-N 0 0 449.529 1.802 50 0 IDAARN CCC(CC)NS(=O)(=O)c1ccc(NCCCN2CCN(c3ncccn3)CC2)nc1 ZINC000040149467 569492444 /nfs/dbraw/zinc/49/24/44/569492444.db2.gz UONCPLCHAAEJDF-UHFFFAOYSA-N 0 0 447.609 1.963 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(Cl)c1 ZINC000040149884 569492676 /nfs/dbraw/zinc/49/26/76/569492676.db2.gz GKLGMFGCHRVECV-UHFFFAOYSA-N 0 0 443.997 1.888 50 0 IDAARN COc1cc(CC(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)cc(OC)c1OC ZINC000040153004 569493544 /nfs/dbraw/zinc/49/35/44/569493544.db2.gz ZVESTLMYLLLUJI-UHFFFAOYSA-N 0 0 431.533 1.996 50 0 IDAARN CCCc1noc(CCCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 ZINC000040152898 569493577 /nfs/dbraw/zinc/49/35/77/569493577.db2.gz NFQUXLKTBCHZMH-UHFFFAOYSA-N 0 0 425.511 1.483 50 0 IDAARN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000040154134 569493678 /nfs/dbraw/zinc/49/36/78/569493678.db2.gz KLOCMMBGRBPOOQ-UHFFFAOYSA-N 0 0 440.522 1.870 50 0 IDAARN NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](C1=Cc3ccccc3OC1)NS2(=O)=O ZINC000040156512 569494153 /nfs/dbraw/zinc/49/41/53/569494153.db2.gz XNSXHERUQCRLFH-INIZCTEOSA-N 0 0 427.891 1.493 50 0 IDAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000008990983 569495248 /nfs/dbraw/zinc/49/52/48/569495248.db2.gz CWHQECKNTYATOF-UHFFFAOYSA-N 0 0 449.485 1.257 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)N3CCCCCC3)C2)cc1 ZINC000008991578 569495307 /nfs/dbraw/zinc/49/53/07/569495307.db2.gz CIQBHDFJAGEFRY-QGZVFWFLSA-N 0 0 437.562 1.615 50 0 IDAARN O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccn1 ZINC000008993412 569495412 /nfs/dbraw/zinc/49/54/12/569495412.db2.gz JXIPKZYHSRSVGO-UHFFFAOYSA-N 0 0 436.921 1.891 50 0 IDAARN CC(=O)c1cccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3cccnc3)c2=O)c1 ZINC000009001237 569495933 /nfs/dbraw/zinc/49/59/33/569495933.db2.gz KSGZPKUBGLPQPL-UHFFFAOYSA-N 0 0 429.436 1.843 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1 ZINC000009001108 569495948 /nfs/dbraw/zinc/49/59/48/569495948.db2.gz HMHIRIVBJAUSGV-UHFFFAOYSA-N 0 0 444.451 1.599 50 0 IDAARN COc1ccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1OC ZINC000009001074 569495958 /nfs/dbraw/zinc/49/59/58/569495958.db2.gz ZHBUBXAQDPGKAY-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NCc1ccccc1Cl ZINC000009001405 569495983 /nfs/dbraw/zinc/49/59/83/569495983.db2.gz TYLOBFWNSMEXHI-UHFFFAOYSA-N 0 0 435.871 1.971 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000009001401 569495986 /nfs/dbraw/zinc/49/59/86/569495986.db2.gz BFESNVYAAKLHEJ-UHFFFAOYSA-N 0 0 445.435 1.047 50 0 IDAARN O=C(COc1coc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1=O)N1CCNC1=O ZINC000040267457 569497355 /nfs/dbraw/zinc/49/73/55/569497355.db2.gz IOWRHRWMNWHIMV-UHFFFAOYSA-N 0 0 446.891 1.546 50 0 IDAARN Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009039930 569497512 /nfs/dbraw/zinc/49/75/12/569497512.db2.gz JMKSLBGBUXLVFR-UHFFFAOYSA-N 0 0 445.483 1.944 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 ZINC000040285834 569498070 /nfs/dbraw/zinc/49/80/70/569498070.db2.gz OIAIJTBAUGBIJY-UHFFFAOYSA-N 0 0 447.513 1.889 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](CO)c3ccccc3)C2)cc1 ZINC000009047591 569498486 /nfs/dbraw/zinc/49/84/86/569498486.db2.gz HJFXDHFPFRTTOK-GHTZIAJQSA-N 0 0 445.541 1.896 50 0 IDAARN COc1ccc(CCNS(=O)(=O)c2c3c(c(OC)c4c2CCN(C)C4)OCO3)cc1 ZINC000040310003 569498781 /nfs/dbraw/zinc/49/87/81/569498781.db2.gz TVSHLWNALACLIY-UHFFFAOYSA-N 0 0 434.514 1.941 50 0 biogenic IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3ccnc3)C2)cc1 ZINC000009059600 569499329 /nfs/dbraw/zinc/49/93/29/569499329.db2.gz SXYVMXLCDAMJIC-QGZVFWFLSA-N 0 0 433.534 1.449 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccncc1 ZINC000009060893 569499456 /nfs/dbraw/zinc/49/94/56/569499456.db2.gz IILRWJAOKKFOAF-QGZVFWFLSA-N 0 0 448.520 1.444 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000009068066 569500009 /nfs/dbraw/zinc/50/00/09/569500009.db2.gz RUVIYIUJIADGGH-KRWDZBQOSA-N 0 0 429.454 1.371 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 ZINC000009068051 569500032 /nfs/dbraw/zinc/50/00/32/569500032.db2.gz TYAFFARJUFWYPD-QGZVFWFLSA-N 0 0 443.481 1.713 50 0 IDAARN COc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009096904 569501477 /nfs/dbraw/zinc/50/14/77/569501477.db2.gz NEEZYHPPSPRVHS-UHFFFAOYSA-N 0 0 448.497 1.820 50 0 IDAARN Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000040402919 569501646 /nfs/dbraw/zinc/50/16/46/569501646.db2.gz BDYLXILOWXLLBS-HXUWFJFHSA-N 0 0 434.496 1.968 50 0 IDAARN COCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1c1cccc(OC)c1OC ZINC000245280368 569502068 /nfs/dbraw/zinc/50/20/68/569502068.db2.gz OKLCDUTUPXRHNW-RBUKOAKNSA-N 0 0 448.541 1.871 50 0 IDAARN COc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C(=O)N2CCOCC2)c1 ZINC000245281454 569502212 /nfs/dbraw/zinc/50/22/12/569502212.db2.gz ZQPABCFGDNXNAO-LEWJYISDSA-N 0 0 430.526 1.958 50 0 IDAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)N1CCCC1 ZINC000009116651 569502993 /nfs/dbraw/zinc/50/29/93/569502993.db2.gz NCXAVXHUBKOXBI-UHFFFAOYSA-N 0 0 446.558 1.360 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2n[nH]c(COc3ccccc3C)n2)c(=O)n(C)c1=O ZINC000009120408 569503901 /nfs/dbraw/zinc/50/39/01/569503901.db2.gz HRTBIBGTJKMWDY-UHFFFAOYSA-N 0 0 444.517 1.520 50 0 IDAARN Cc1ccnc(SCCn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000009124300 569504308 /nfs/dbraw/zinc/50/43/08/569504308.db2.gz CIUPCALYWQUPSI-CYBMUJFWSA-N 0 0 429.550 1.561 50 0 IDAARN CCNC(=O)[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000009125052 569504503 /nfs/dbraw/zinc/50/45/03/569504503.db2.gz UXQSRDAHDKBODS-XJKSGUPXSA-N 0 0 435.525 1.996 50 0 IDAARN CCNC(=O)[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000009125050 569504512 /nfs/dbraw/zinc/50/45/12/569504512.db2.gz UXQSRDAHDKBODS-BBRMVZONSA-N 0 0 435.525 1.996 50 0 IDAARN CCNC(=O)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000009125051 569504545 /nfs/dbraw/zinc/50/45/45/569504545.db2.gz UXQSRDAHDKBODS-CZUORRHYSA-N 0 0 435.525 1.996 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 ZINC000009125798 569504699 /nfs/dbraw/zinc/50/46/99/569504699.db2.gz PTCVEDKVQUKCBF-UHFFFAOYSA-N 0 0 432.527 1.759 50 0 IDAARN C[C@H]1CSC(N(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccc(Cl)cc2)=N1 ZINC000009125595 569504729 /nfs/dbraw/zinc/50/47/29/569504729.db2.gz ZZZMFMLRVHBSCV-NSHDSACASA-N 0 0 446.920 1.612 50 0 IDAARN Cc1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000009129109 569505623 /nfs/dbraw/zinc/50/56/23/569505623.db2.gz CJDOTZRJMBSYEH-UHFFFAOYSA-N 0 0 444.513 1.620 50 0 IDAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1nnc2ccccn21 ZINC000009129652 569505795 /nfs/dbraw/zinc/50/57/95/569505795.db2.gz NOYZCXMIXVJOFP-KRWDZBQOSA-N 0 0 447.586 1.797 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1C(=O)c2ccccc2S1(=O)=O ZINC000009130053 569505946 /nfs/dbraw/zinc/50/59/46/569505946.db2.gz WRWVAWFGTSHLAG-UHFFFAOYSA-N 0 0 448.526 1.651 50 0 IDAARN CCc1ccccc1NC(=O)CNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000009156471 569508383 /nfs/dbraw/zinc/50/83/83/569508383.db2.gz MUNKMBDQWAUAKE-SFHVURJKSA-N 0 0 440.525 1.917 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CSCN2C(=O)Nc2ccccc2)cc1 ZINC000040556259 569508686 /nfs/dbraw/zinc/50/86/86/569508686.db2.gz LZIBTWBVMWUVAX-KRWDZBQOSA-N 0 0 434.543 1.600 50 0 IDAARN C[C@H](OC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009161856 569508752 /nfs/dbraw/zinc/50/87/52/569508752.db2.gz CNAZYGMDGCHVOP-BPUTZDHNSA-N 0 0 430.457 1.529 50 0 IDAARN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000069617828 569509816 /nfs/dbraw/zinc/50/98/16/569509816.db2.gz IPVGVQIDKGNSPK-KRWDZBQOSA-N 0 0 425.576 1.758 50 0 IDAARN CCN(CC)C(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCc2cccs2)c1=O ZINC000009186361 569510189 /nfs/dbraw/zinc/51/01/89/569510189.db2.gz MXHLUYBETVQTPQ-UHFFFAOYSA-N 0 0 434.543 1.471 50 0 IDAARN Cc1c(C)c(=O)oc2cc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 ZINC000009186973 569510250 /nfs/dbraw/zinc/51/02/50/569510250.db2.gz CDDQCWPMMZQCGS-UHFFFAOYSA-N 0 0 430.482 1.795 50 0 IDAARN CCN1c2ccccc2[C@@]2(C1=O)c1c(cc(C)n(CCOC)c1=O)OC(N)=C2C(=O)OC ZINC000009189910 569510528 /nfs/dbraw/zinc/51/05/28/569510528.db2.gz VXICMKJMELCVAJ-HSZRJFAPSA-N 0 0 439.468 1.191 50 0 IDAARN CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCOCC3)CC2=O)cc1 ZINC000009197238 569511066 /nfs/dbraw/zinc/51/10/66/569511066.db2.gz ADNJPQSXQJBPMC-KRWDZBQOSA-N 0 0 437.562 1.709 50 0 IDAARN O=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CCNC(=O)C1 ZINC000009216854 569512213 /nfs/dbraw/zinc/51/22/13/569512213.db2.gz YAVFAICMAAOWSU-UHFFFAOYSA-N 0 0 431.470 1.221 50 0 IDAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000009218615 569512385 /nfs/dbraw/zinc/51/23/85/569512385.db2.gz VDQNPPUIUSARPH-YJYMSZOUSA-N 0 0 439.921 1.285 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cc2cc(=O)n3ccsc3n2)C1=O ZINC000009222401 569512729 /nfs/dbraw/zinc/51/27/29/569512729.db2.gz NCBIYWLIDBYAGQ-FQEVSTJZSA-N 0 0 426.454 1.885 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000009223422 569512933 /nfs/dbraw/zinc/51/29/33/569512933.db2.gz ZXSZRZSTROAFHL-UHFFFAOYSA-N 0 0 433.511 1.082 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1 ZINC000009223430 569512967 /nfs/dbraw/zinc/51/29/67/569512967.db2.gz FQBCGAFUXAGICY-UHFFFAOYSA-N 0 0 437.543 1.754 50 0 IDAARN CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1 ZINC000009243382 569514877 /nfs/dbraw/zinc/51/48/77/569514877.db2.gz FGQFNYALUTVJFN-UHFFFAOYSA-N 0 0 441.517 1.109 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2ccc3c(c2)OCCO3)cc1 ZINC000009244402 569515045 /nfs/dbraw/zinc/51/50/45/569515045.db2.gz FUJWNNGTROPWIS-UHFFFAOYSA-N 0 0 436.511 1.757 50 0 IDAARN Cc1nc2ccccc2c(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000009244614 569515114 /nfs/dbraw/zinc/51/51/14/569515114.db2.gz ZUKQIBKVDOVJJP-UHFFFAOYSA-N 0 0 442.497 1.977 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1 ZINC000009245525 569515306 /nfs/dbraw/zinc/51/53/06/569515306.db2.gz ITCCPUCBOGDKMM-UHFFFAOYSA-N 0 0 425.507 1.459 50 0 IDAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C[C@H](C)O1 ZINC000009256861 569516768 /nfs/dbraw/zinc/51/67/68/569516768.db2.gz IIQNAOVFOSBSRB-IRXDYDNUSA-N 0 0 445.545 1.237 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1 ZINC000009283069 569518777 /nfs/dbraw/zinc/51/87/77/569518777.db2.gz YJTIVGJUVVQUSC-UHFFFAOYSA-N 0 0 440.528 1.446 50 0 IDAARN C[C@H](OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000009283306 569518846 /nfs/dbraw/zinc/51/88/46/569518846.db2.gz YGJZNQGIZOVOMS-NSHDSACASA-N 0 0 426.347 1.844 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000009284317 569519094 /nfs/dbraw/zinc/51/90/94/569519094.db2.gz QSIXEJROYWSVTC-UHFFFAOYSA-N 0 0 441.531 1.448 50 0 IDAARN CCCn1c2nc(C(C)(C)C)nc(SCC(=O)NC[C@@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000009284780 569519120 /nfs/dbraw/zinc/51/91/20/569519120.db2.gz KVMSRRLPLCOERY-ZDUSSCGKSA-N 0 0 449.577 1.585 50 0 IDAARN CCCn1c2nc(C(C)(C)C)nc(SCC(=O)NC[C@H]3CCCO3)c2c(=O)n(C)c1=O ZINC000009284782 569519121 /nfs/dbraw/zinc/51/91/21/569519121.db2.gz KVMSRRLPLCOERY-CYBMUJFWSA-N 0 0 449.577 1.585 50 0 IDAARN COc1ccc(OC)c(CCNC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)c1 ZINC000009287362 569519223 /nfs/dbraw/zinc/51/92/23/569519223.db2.gz RTIHCJBEJOMHNG-UHFFFAOYSA-N 0 0 439.497 1.996 50 0 IDAARN COc1ccc(CCNC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)cc1OC ZINC000009287325 569519255 /nfs/dbraw/zinc/51/92/55/569519255.db2.gz XAEJZPXKUOOYIL-UHFFFAOYSA-N 0 0 439.497 1.996 50 0 IDAARN CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)C1 ZINC000069808089 569519319 /nfs/dbraw/zinc/51/93/19/569519319.db2.gz OUHYTMMOPJTSAN-SFHVURJKSA-N 0 0 431.518 1.557 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2Cc1ccccc1 ZINC000009315030 569522037 /nfs/dbraw/zinc/52/20/37/569522037.db2.gz FILFEPXYFNCGAX-UHFFFAOYSA-N 0 0 447.451 1.795 50 0 IDAARN O=C(CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)Nc1cc(Cl)ccc1Cl ZINC000009314812 569522059 /nfs/dbraw/zinc/52/20/59/569522059.db2.gz LSYWROANDHTQRL-UHFFFAOYSA-N 0 0 429.285 1.546 50 0 IDAARN O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009322097 569522659 /nfs/dbraw/zinc/52/26/59/569522659.db2.gz IWJLELZGGNYPCB-UHFFFAOYSA-N 0 0 430.530 1.633 50 0 IDAARN O=C(CNC(=O)c1ccco1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000009337634 569523549 /nfs/dbraw/zinc/52/35/49/569523549.db2.gz IPHIRKYWCCMUST-UHFFFAOYSA-N 0 0 446.312 1.849 50 0 IDAARN CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NCc2cn(C)nc2C)C1=O ZINC000009341545 569523906 /nfs/dbraw/zinc/52/39/06/569523906.db2.gz RKJFBUGRVLPEOQ-HNNXBMFYSA-N 0 0 434.294 1.331 50 0 IDAARN CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)o1 ZINC000009346691 569524291 /nfs/dbraw/zinc/52/42/91/569524291.db2.gz CEKDNDOZBOVNGD-UHFFFAOYSA-N 0 0 439.446 1.692 50 0 IDAARN CCCCn1c(N)c(N(C(=O)Cn2c3ccccc3oc2=O)C2CCCC2)c(=O)[nH]c1=O ZINC000009366520 569526268 /nfs/dbraw/zinc/52/62/68/569526268.db2.gz DWZLYFSOSYYYRL-UHFFFAOYSA-N 0 0 441.488 1.803 50 0 IDAARN O=C(Nc1ccnn1Cc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009368215 569526589 /nfs/dbraw/zinc/52/65/89/569526589.db2.gz SIMFSSLLQYNXRU-UHFFFAOYSA-N 0 0 427.486 1.600 50 0 IDAARN O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009376732 569527395 /nfs/dbraw/zinc/52/73/95/569527395.db2.gz XZOKHUWOWPQPTJ-GFCCVEGCSA-N 0 0 438.531 1.586 50 0 IDAARN CN(C)c1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cn1 ZINC000070010450 569528048 /nfs/dbraw/zinc/52/80/48/569528048.db2.gz HTGUPACLHXTEJY-UHFFFAOYSA-N 0 0 444.561 1.534 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2ccn(Cc3ccccc3OC)c(=O)c2=O)c1 ZINC000009405629 569529944 /nfs/dbraw/zinc/52/99/44/569529944.db2.gz WOOMSZDCIVZJAU-UHFFFAOYSA-N 0 0 425.441 1.723 50 0 IDAARN CC(C)CN(CC(C)C)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000009407873 569530385 /nfs/dbraw/zinc/53/03/85/569530385.db2.gz PILHRHORIIPZCK-UHFFFAOYSA-N 0 0 437.562 1.542 50 0 IDAARN Cn1c2ccc(S(=O)(=O)CCC(=O)Nc3ccccc3Cl)cc2n(C)c(=O)c1=O ZINC000009407893 569530417 /nfs/dbraw/zinc/53/04/17/569530417.db2.gz DRFYQMPFBXFJKH-UHFFFAOYSA-N 0 0 435.889 1.693 50 0 IDAARN O=C(Cn1c2ccsc2c(=O)n(CC(=O)N2CCCCC2)c1=O)NC1CCCCC1 ZINC000009409501 569531073 /nfs/dbraw/zinc/53/10/73/569531073.db2.gz HQDYBJSUNSGDDH-UHFFFAOYSA-N 0 0 432.546 1.686 50 0 IDAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)N[C@H]1CCS(=O)(=O)C1 ZINC000009410390 569531340 /nfs/dbraw/zinc/53/13/40/569531340.db2.gz WIOUQTGYNRPRCA-AWEZNQCLSA-N 0 0 429.450 1.848 50 0 biogenic IDAARN CCOc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(C(=O)OC)cc2)c3=O)cc1 ZINC000009412851 569531646 /nfs/dbraw/zinc/53/16/46/569531646.db2.gz MZJQTJDLKUUWJK-UHFFFAOYSA-N 0 0 448.439 1.801 50 0 IDAARN COc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000009412789 569531650 /nfs/dbraw/zinc/53/16/50/569531650.db2.gz CWNLFLHXAISNSL-UHFFFAOYSA-N 0 0 449.554 1.796 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000009420347 569532644 /nfs/dbraw/zinc/53/26/44/569532644.db2.gz GQBUIVRKZRCAFU-HXUWFJFHSA-N 0 0 449.463 1.184 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@]12c1ccccc1NC2=O ZINC000009420263 569532669 /nfs/dbraw/zinc/53/26/69/569532669.db2.gz VDNRZVAIJXPBMP-DEOSSOPVSA-N 0 0 444.447 1.574 50 0 IDAARN CN(C(=O)CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009430034 569533809 /nfs/dbraw/zinc/53/38/09/569533809.db2.gz QWVIVCGBRSHAPD-OJNRTJSBSA-N 0 0 426.491 1.898 50 0 IDAARN CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@@]12c1ccccc1NC2=O ZINC000009428572 569533568 /nfs/dbraw/zinc/53/35/68/569533568.db2.gz ZOQMJQPAPPSBKL-QFIPXVFZSA-N 0 0 444.440 1.411 50 0 IDAARN O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000009464056 569537628 /nfs/dbraw/zinc/53/76/28/569537628.db2.gz HDICCTWSGMHWMT-UHFFFAOYSA-N 0 0 442.497 1.910 50 0 IDAARN CC[C@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC ZINC000009465779 569538031 /nfs/dbraw/zinc/53/80/31/569538031.db2.gz FVGLKLNRDYUNRE-KBXCAEBGSA-N 0 0 426.535 1.800 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccco1 ZINC000009484898 569539518 /nfs/dbraw/zinc/53/95/18/569539518.db2.gz YMIBGPYAMXDZMB-CQSZACIVSA-N 0 0 439.921 1.766 50 0 IDAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000009488004 569539831 /nfs/dbraw/zinc/53/98/31/569539831.db2.gz XURSOGUEBOCJCB-UHFFFAOYSA-N 0 0 430.482 1.746 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2F)CC1 ZINC000009490189 569540073 /nfs/dbraw/zinc/54/00/73/569540073.db2.gz QRJRIIOQRDBLGM-UHFFFAOYSA-N 0 0 427.498 1.961 50 0 IDAARN O=C1N[C@@]2(CCCc3sccc32)C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O ZINC000009494307 569540866 /nfs/dbraw/zinc/54/08/66/569540866.db2.gz FOSADTXPKMWPJB-LJQANCHMSA-N 0 0 431.495 1.676 50 0 IDAARN CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1cccc(Cl)c1 ZINC000009509422 569542505 /nfs/dbraw/zinc/54/25/05/569542505.db2.gz AZVFTEDPBXYNME-UHFFFAOYSA-N 0 0 441.919 1.915 50 0 IDAARN O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)NC[C@@H]1COc2ccccc2O1 ZINC000009516669 569543514 /nfs/dbraw/zinc/54/35/14/569543514.db2.gz XOVDEMDMTKQIGS-CHWSQXEVSA-N 0 0 439.515 1.095 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NC(C)(C)C)nc(-c3cccc(F)c3)nc2n(C)c1=O ZINC000009517595 569543721 /nfs/dbraw/zinc/54/37/21/569543721.db2.gz VYDNPPXFCDQNKY-UHFFFAOYSA-N 0 0 431.493 1.840 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(F)cc2F)c3=O)cc1OC ZINC000009517848 569543857 /nfs/dbraw/zinc/54/38/57/569543857.db2.gz VSBCYPQZQLUKSK-UHFFFAOYSA-N 0 0 442.382 1.911 50 0 IDAARN O=C(Cn1cc(C(=O)C(=O)NCCCN2CCCC2=O)c2ccccc21)N1CCCCC1 ZINC000009519449 569544230 /nfs/dbraw/zinc/54/42/30/569544230.db2.gz JYRMDBBCZGDIIT-UHFFFAOYSA-N 0 0 438.528 1.965 50 0 IDAARN CCOC(=O)NC(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O ZINC000009520478 569544353 /nfs/dbraw/zinc/54/43/53/569544353.db2.gz IAVSCRILOBFVNJ-UHFFFAOYSA-N 0 0 439.472 1.796 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3nccs3)C2)cc1 ZINC000009530925 569545085 /nfs/dbraw/zinc/54/50/85/569545085.db2.gz LEUFUAYBYKBCCL-CYBMUJFWSA-N 0 0 438.531 1.307 50 0 IDAARN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000009538139 569545583 /nfs/dbraw/zinc/54/55/83/569545583.db2.gz DTXWYOQXVVOUHA-KRWDZBQOSA-N 0 0 439.493 1.999 50 0 IDAARN Nn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1-c1n[nH]c2c1CCC2 ZINC000009541035 569545846 /nfs/dbraw/zinc/54/58/46/569545846.db2.gz XVCULJASFJGVDS-UHFFFAOYSA-N 0 0 435.311 1.759 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009544581 569545971 /nfs/dbraw/zinc/54/59/71/569545971.db2.gz YJDHMENHAWHZMH-UHFFFAOYSA-N 0 0 442.497 1.829 50 0 IDAARN O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000009548795 569546515 /nfs/dbraw/zinc/54/65/15/569546515.db2.gz CRUPBSVEIZVKDF-UHFFFAOYSA-N 0 0 430.530 1.964 50 0 IDAARN C[C@@H](NC(=O)[C@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000009551296 569546679 /nfs/dbraw/zinc/54/66/79/569546679.db2.gz CUKYMPZPOHFUPF-CABCVRRESA-N 0 0 429.498 1.924 50 0 IDAARN CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)c(OC)c1)c(=O)n2C ZINC000009571736 569547687 /nfs/dbraw/zinc/54/76/87/569547687.db2.gz XMNMHXBUZIHYLL-UHFFFAOYSA-N 0 0 442.472 1.712 50 0 IDAARN CCOc1c(CC)cnc2c1c(=O)n(CC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2C ZINC000009571738 569547732 /nfs/dbraw/zinc/54/77/32/569547732.db2.gz RUSTYKBDVIJIMH-UHFFFAOYSA-N 0 0 426.429 1.424 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccc(O)cc1 ZINC000009576025 569548066 /nfs/dbraw/zinc/54/80/66/569548066.db2.gz BLHRCJAFWSRJDV-AWEZNQCLSA-N 0 0 435.477 1.687 50 0 IDAARN O=C(NCCCc1ccccc1)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccccc1 ZINC000009576682 569548101 /nfs/dbraw/zinc/54/81/01/569548101.db2.gz XYUSCMDSGAVGKG-FQEVSTJZSA-N 0 0 445.541 1.289 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009579971 569548648 /nfs/dbraw/zinc/54/86/48/569548648.db2.gz OWGZKGAGMQPIRN-IIBYNOLFSA-N 0 0 433.530 1.196 50 0 IDAARN CN(CC(=O)Nc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1)S(C)(=O)=O ZINC000070635025 569548657 /nfs/dbraw/zinc/54/86/57/569548657.db2.gz NYMJCMZCKHTYLY-UHFFFAOYSA-N 0 0 449.967 1.752 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000009580187 569548787 /nfs/dbraw/zinc/54/87/87/569548787.db2.gz XPRQJLAWIDSZBE-UHFFFAOYSA-N 0 0 447.513 1.396 50 0 IDAARN O=C(c1n[nH]c(=O)c2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009580910 569548907 /nfs/dbraw/zinc/54/89/07/569548907.db2.gz UMINWAHEEXGPTQ-UHFFFAOYSA-N 0 0 430.461 1.599 50 0 IDAARN Cc1occc1-c1nnc(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)n1N ZINC000009585541 569549576 /nfs/dbraw/zinc/54/95/76/569549576.db2.gz IYLXSOZALYMEDE-ZDUSSCGKSA-N 0 0 427.552 1.324 50 0 IDAARN CC(=O)N[C@H](CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009589301 569549952 /nfs/dbraw/zinc/54/99/52/569549952.db2.gz SYKZCIXWOHIMNN-QGZVFWFLSA-N 0 0 441.440 1.917 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)CCc2csc(NC(=O)c3cccs3)n2)CC1 ZINC000070655562 569550038 /nfs/dbraw/zinc/55/00/38/569550038.db2.gz XDEFSHZVBKOSIM-UHFFFAOYSA-N 0 0 428.561 1.493 50 0 IDAARN C[C@@H](C(=O)NCCn1nc(-c2ccccc2)ccc1=O)n1nc(-n2cccn2)ccc1=O ZINC000070655915 569550060 /nfs/dbraw/zinc/55/00/60/569550060.db2.gz BOWHTGDOFMOXAO-INIZCTEOSA-N 0 0 431.456 1.030 50 0 IDAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2sccc2c1=O ZINC000009591679 569550243 /nfs/dbraw/zinc/55/02/43/569550243.db2.gz XAVNRJYPGSVHDQ-UHFFFAOYSA-N 0 0 428.470 1.716 50 0 IDAARN O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009593643 569550459 /nfs/dbraw/zinc/55/04/59/569550459.db2.gz UCXWOHCATWYSRN-NRFANRHFSA-N 0 0 441.553 1.709 50 0 IDAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O ZINC000070666265 569550558 /nfs/dbraw/zinc/55/05/58/569550558.db2.gz LVVUXNUFPWOJOI-INIZCTEOSA-N 0 0 425.441 1.314 50 0 biogenic IDAARN NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000009596534 569550796 /nfs/dbraw/zinc/55/07/96/569550796.db2.gz QUOOZEFKNGQBGV-UHFFFAOYSA-N 0 0 433.505 1.684 50 0 IDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(=O)NCc3ccccc3)C2=O)cc1OC ZINC000009613054 569552985 /nfs/dbraw/zinc/55/29/85/569552985.db2.gz LYVOSLLSURROCL-JOCHJYFZSA-N 0 0 440.456 1.497 50 0 IDAARN Cn1cc(S(=O)(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)c(=O)n(C)c1=O ZINC000009620479 569553467 /nfs/dbraw/zinc/55/34/67/569553467.db2.gz KIPTXGADKIXXKN-OAHLLOKOSA-N 0 0 444.538 1.737 50 0 IDAARN COCCNC(=O)CCCn1c(SCC(N)=O)nc2c3ccccc3sc2c1=O ZINC000009636746 569554734 /nfs/dbraw/zinc/55/47/34/569554734.db2.gz PDDCQEAWOAPWLB-UHFFFAOYSA-N 0 0 434.543 1.731 50 0 IDAARN COc1cc(C(=O)Nc2ccc(-n3cnnn3)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000009637426 569554765 /nfs/dbraw/zinc/55/47/65/569554765.db2.gz OTYOGQCDBBVCMT-UHFFFAOYSA-N 0 0 438.444 1.161 50 0 IDAARN Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000009637847 569554850 /nfs/dbraw/zinc/55/48/50/569554850.db2.gz JCGIJCYMHFIDLQ-HXUWFJFHSA-N 0 0 440.525 1.960 50 0 IDAARN CC[C@@H](Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C)C(=O)OC ZINC000009637901 569554919 /nfs/dbraw/zinc/55/49/19/569554919.db2.gz TZCQVKICZRXJFB-CYBMUJFWSA-N 0 0 430.486 1.747 50 0 IDAARN COc1cc(C2=NC3=NC(C)=C(C(N)=O)[C@@H](c4ccc(O)cc4)N3N2)cc(OC)c1OC ZINC000009637907 569554927 /nfs/dbraw/zinc/55/49/27/569554927.db2.gz DEHDLCKGAJBHFG-GOSISDBHSA-N 0 0 437.456 1.855 50 0 IDAARN COc1cccc(NC(=O)COc2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2)c1 ZINC000009646171 569556236 /nfs/dbraw/zinc/55/62/36/569556236.db2.gz ORCIAIWUVXIDKW-QGZVFWFLSA-N 0 0 432.498 1.972 50 0 IDAARN COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000009660604 569556871 /nfs/dbraw/zinc/55/68/71/569556871.db2.gz FAAYTWSSZQCORG-UHFFFAOYSA-N 0 0 444.491 1.974 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3nn(C)c(=O)c4ccccc43)CC2)cc1 ZINC000009666011 569557614 /nfs/dbraw/zinc/55/76/14/569557614.db2.gz UHKFTVIVDDUVIH-UHFFFAOYSA-N 0 0 440.525 1.779 50 0 IDAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1cccc(F)c1 ZINC000009666031 569557618 /nfs/dbraw/zinc/55/76/18/569557618.db2.gz XQHASIBMEQILPY-UHFFFAOYSA-N 0 0 440.424 1.781 50 0 IDAARN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009670858 569558418 /nfs/dbraw/zinc/55/84/18/569558418.db2.gz VAXZOIMVLIJRQR-UHFFFAOYSA-N 0 0 434.547 1.268 50 0 IDAARN Cn1c2ncn(CC(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)c2c(=O)n(C)c1=O ZINC000009672274 569558804 /nfs/dbraw/zinc/55/88/04/569558804.db2.gz XAENIWRSONFKFD-CQSZACIVSA-N 0 0 438.513 1.797 50 0 IDAARN COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3cc(OC)cc(OC)c3)c2N)c1 ZINC000009677941 569559575 /nfs/dbraw/zinc/55/95/75/569559575.db2.gz CDKOIEHIMMQMER-UHFFFAOYSA-N 0 0 440.460 1.455 50 0 IDAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)cc1 ZINC000009683730 569560401 /nfs/dbraw/zinc/56/04/01/569560401.db2.gz SCKIINCXKFEAPI-HXUWFJFHSA-N 0 0 446.481 1.689 50 0 IDAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OC[C@H](C(=O)N1CCOCC1)O2 ZINC000009683765 569560452 /nfs/dbraw/zinc/56/04/52/569560452.db2.gz MVNXEOYAEBSLGS-HXUWFJFHSA-N 0 0 432.498 1.506 50 0 IDAARN COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 ZINC000009688653 569560809 /nfs/dbraw/zinc/56/08/09/569560809.db2.gz WOLNYSCRNUBDDY-OAHLLOKOSA-N 0 0 445.497 1.847 50 0 IDAARN COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n([C@H](C)C(C)=O)c(=O)n2C)c(OC)c1 ZINC000009713046 569562443 /nfs/dbraw/zinc/56/24/43/569562443.db2.gz NAHPCFCEGCVENY-GFCCVEGCSA-N 0 0 425.445 1.614 50 0 IDAARN COCCCn1c(C)cn2c1nc1c2c(=O)n(CC(=O)c2ccc(F)cc2)c(=O)n1C ZINC000009713194 569562494 /nfs/dbraw/zinc/56/24/94/569562494.db2.gz YVSTYRQAVLPRKF-UHFFFAOYSA-N 0 0 427.436 1.516 50 0 IDAARN O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccncc1 ZINC000009715294 569563084 /nfs/dbraw/zinc/56/30/84/569563084.db2.gz NTBROGCOXBLAEP-MRXNPFEDSA-N 0 0 436.559 1.509 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2cccnc2)c1 ZINC000009715706 569563106 /nfs/dbraw/zinc/56/31/06/569563106.db2.gz BMOLSMCEKLUYCC-GOSISDBHSA-N 0 0 430.530 1.284 50 0 IDAARN CCOc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000070924510 569563563 /nfs/dbraw/zinc/56/35/63/569563563.db2.gz CCAFZOHMSFVKOR-UHFFFAOYSA-N 0 0 439.559 1.860 50 0 IDAARN COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cn1 ZINC000009736151 569564738 /nfs/dbraw/zinc/56/47/38/569564738.db2.gz HUXSMHGAZYWXFW-UHFFFAOYSA-N 0 0 426.445 1.585 50 0 IDAARN O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000009741515 569565257 /nfs/dbraw/zinc/56/52/57/569565257.db2.gz JFNUFGVWVBCUPG-YOEHRIQHSA-N 0 0 440.518 1.814 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCc1cccnc1 ZINC000009741821 569565285 /nfs/dbraw/zinc/56/52/85/569565285.db2.gz NVDRHMNYKLIYML-OAQYLSRUSA-N 0 0 442.541 1.850 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NCc1ccc(C)o1 ZINC000009742292 569565381 /nfs/dbraw/zinc/56/53/81/569565381.db2.gz XRYVENLHJRVTBR-FQEVSTJZSA-N 0 0 447.513 1.203 50 0 IDAARN Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)s1 ZINC000009748119 569565909 /nfs/dbraw/zinc/56/59/09/569565909.db2.gz FYBCPTYFUMZDFC-UHFFFAOYSA-N 0 0 437.543 1.788 50 0 IDAARN O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000009782426 569567751 /nfs/dbraw/zinc/56/77/51/569567751.db2.gz RXCLPYUOHACBBJ-UHFFFAOYSA-N 0 0 440.525 1.589 50 0 IDAARN Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000009783609 569567839 /nfs/dbraw/zinc/56/78/39/569567839.db2.gz RTHPAZMVLUNYPR-UHFFFAOYSA-N 0 0 429.498 1.853 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2C)cc1 ZINC000009806862 569568945 /nfs/dbraw/zinc/56/89/45/569568945.db2.gz URKJNFORTYXADZ-SFHVURJKSA-N 0 0 445.541 1.589 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccnn2Cc2ccccc2)c1 ZINC000009822202 569569486 /nfs/dbraw/zinc/56/94/86/569569486.db2.gz SEGGIEJOJFCKME-UHFFFAOYSA-N 0 0 443.529 1.762 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc(C)c(C)c(=O)[nH]3)CC2=O)c1 ZINC000009822364 569569507 /nfs/dbraw/zinc/56/95/07/569569507.db2.gz ACDJSBOBSXTUBF-OAHLLOKOSA-N 0 0 436.472 1.881 50 0 IDAARN CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)n1 ZINC000009822205 569569527 /nfs/dbraw/zinc/56/95/27/569569527.db2.gz JZPOQXWBRPQJSW-CQSZACIVSA-N 0 0 436.472 1.827 50 0 IDAARN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000009822639 569569586 /nfs/dbraw/zinc/56/95/86/569569586.db2.gz ZMXCDCSVJBRIJN-CYBMUJFWSA-N 0 0 436.447 1.883 50 0 IDAARN CCOCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)cc2OC)n(C)c1=O ZINC000009829491 569570106 /nfs/dbraw/zinc/57/01/06/569570106.db2.gz VSNHRJNXNQVVMY-UHFFFAOYSA-N 0 0 441.488 1.809 50 0 IDAARN CCOC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccccc2OC)n(C)c1=O ZINC000009829472 569570113 /nfs/dbraw/zinc/57/01/13/569570113.db2.gz STFIDSPAQVXRFW-UHFFFAOYSA-N 0 0 439.472 1.717 50 0 IDAARN O=C(c1cnc2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1O)N1CCOCC1 ZINC000009833876 569570374 /nfs/dbraw/zinc/57/03/74/569570374.db2.gz IRTSWCLVKJAOFQ-UHFFFAOYSA-N 0 0 431.445 1.940 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000009857668 569571656 /nfs/dbraw/zinc/57/16/56/569571656.db2.gz JIWARPMZXRWFOT-UHFFFAOYSA-N 0 0 434.412 1.031 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)cc1 ZINC000009857505 569571682 /nfs/dbraw/zinc/57/16/82/569571682.db2.gz MMSJQNXZQRTNMV-UHFFFAOYSA-N 0 0 436.403 1.601 50 0 IDAARN CS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)ccc21 ZINC000009862613 569572050 /nfs/dbraw/zinc/57/20/50/569572050.db2.gz HDLVKIPCHOELAG-JOCHJYFZSA-N 0 0 439.493 1.585 50 0 IDAARN CC(C)CN(C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000009884411 569572735 /nfs/dbraw/zinc/57/27/35/569572735.db2.gz WFJZSIJFNSTMIB-HNNXBMFYSA-N 0 0 449.529 1.071 50 0 IDAARN C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000009884621 569572782 /nfs/dbraw/zinc/57/27/82/569572782.db2.gz GZIVYBFWRIZCDB-CQSZACIVSA-N 0 0 433.486 1.604 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000009884742 569572790 /nfs/dbraw/zinc/57/27/90/569572790.db2.gz KWFKPLQRTXEIDL-FQEVSTJZSA-N 0 0 432.498 1.758 50 0 IDAARN O=C(CCCNC(=O)c1ccco1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000009916155 569573388 /nfs/dbraw/zinc/57/33/88/569573388.db2.gz AAKYWIYGHDIOQF-UHFFFAOYSA-N 0 0 441.456 1.601 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000071280512 569573612 /nfs/dbraw/zinc/57/36/12/569573612.db2.gz NGCJUKZOMPABBH-UHFFFAOYSA-N 0 0 431.537 1.598 50 0 IDAARN CCCCn1c2nc(COC(=O)Cc3ccc(OC)c(OC)c3)n(C)c2c(=O)[nH]c1=O ZINC000009951061 569574431 /nfs/dbraw/zinc/57/44/31/569574431.db2.gz CYWQGEZDVFPPDA-UHFFFAOYSA-N 0 0 430.461 1.527 50 0 IDAARN O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009953572 569574699 /nfs/dbraw/zinc/57/46/99/569574699.db2.gz CYUABAIJCLSJLA-UHFFFAOYSA-N 0 0 432.498 1.338 50 0 IDAARN Cc1cc(C)n2nc(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)nc2n1 ZINC000009960270 569575383 /nfs/dbraw/zinc/57/53/83/569575383.db2.gz KWVUBSLVQQBKIF-UHFFFAOYSA-N 0 0 428.497 1.132 50 0 IDAARN O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccc2c(c1)OCO2 ZINC000010022189 569577239 /nfs/dbraw/zinc/57/72/39/569577239.db2.gz OXZNHVVUHCINTI-UHFFFAOYSA-N 0 0 430.438 1.660 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)Cc2ccc(Cl)s2)CC1 ZINC000010128635 569577975 /nfs/dbraw/zinc/57/79/75/569577975.db2.gz YGUXHSAAKGOHEZ-UHFFFAOYSA-N 0 0 446.982 1.971 50 0 IDAARN CCOC(=O)N1CCN(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)CC1 ZINC000010131927 569578078 /nfs/dbraw/zinc/57/80/78/569578078.db2.gz AYKIIICVHMALFF-UHFFFAOYSA-N 0 0 449.305 1.974 50 0 IDAARN O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N1CCNC1=O ZINC000010215882 569579210 /nfs/dbraw/zinc/57/92/10/569579210.db2.gz NGTIBMQZUFTFFR-GOSISDBHSA-N 0 0 425.441 1.619 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Br)cc2)c(=O)n3C)n1CCCO ZINC000010233353 569579554 /nfs/dbraw/zinc/57/95/54/569579554.db2.gz APANNOZWOITQBO-UHFFFAOYSA-N 0 0 446.305 1.651 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n3C)n1CCOCCO ZINC000010233369 569579592 /nfs/dbraw/zinc/57/95/92/569579592.db2.gz NKDYGQBNLRXTBF-UHFFFAOYSA-N 0 0 431.880 1.168 50 0 IDAARN CCOC(=O)Cn1c(C)cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000010233586 569579637 /nfs/dbraw/zinc/57/96/37/569579637.db2.gz CUUKSMFSKYZAOX-UHFFFAOYSA-N 0 0 429.864 1.723 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C(F)(F)F)cc2)n(C)c1=O ZINC000010271912 569580132 /nfs/dbraw/zinc/58/01/32/569580132.db2.gz IFGDMUDEZWWGHH-UHFFFAOYSA-N 0 0 449.389 1.947 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(NC(=O)Cc3cc(C(C)=O)ccc3OC)C2=O)cc1 ZINC000010276294 569580413 /nfs/dbraw/zinc/58/04/13/569580413.db2.gz XRMPFRLIKKVSSD-QFIPXVFZSA-N 0 0 425.441 1.947 50 0 IDAARN O=C(c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1)N1CCN(c2ncccn2)CC1 ZINC000071768222 569580653 /nfs/dbraw/zinc/58/06/53/569580653.db2.gz XDRQKTZVAFWQLE-UHFFFAOYSA-N 0 0 443.471 1.947 50 0 IDAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2N)cc1Cl ZINC000071771578 569580841 /nfs/dbraw/zinc/58/08/41/569580841.db2.gz GCEGXCDYRHWUOO-UHFFFAOYSA-N 0 0 425.898 1.222 50 0 IDAARN CCCNC(=O)CN1CCN(c2ncc(C(=O)Nc3ccc(OCC)cc3)c(N)n2)CC1 ZINC000071772240 569580898 /nfs/dbraw/zinc/58/08/98/569580898.db2.gz OMMLWRGCWXBBDP-UHFFFAOYSA-N 0 0 441.536 1.358 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000010386232 569581747 /nfs/dbraw/zinc/58/17/47/569581747.db2.gz JKSQNBISEOIHMB-QGZVFWFLSA-N 0 0 441.532 1.927 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c3c(nc2N2CCC[C@H](C)C2)n(C)c(=O)n(C)c3=O)c1 ZINC000010386225 569581786 /nfs/dbraw/zinc/58/17/86/569581786.db2.gz QLUOCOAVABRVFQ-IRXDYDNUSA-N 0 0 441.532 1.418 50 0 IDAARN CCN(CC(=O)Nc1ccc(F)c(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000010430630 569582046 /nfs/dbraw/zinc/58/20/46/569582046.db2.gz BNHPSWIZYPSAIW-UHFFFAOYSA-N 0 0 429.427 1.910 50 0 IDAARN O=C(Cn1c(=O)onc1-c1cccs1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000071826657 569582059 /nfs/dbraw/zinc/58/20/59/569582059.db2.gz IPLONTZRQMUCDQ-LBPRGKRZSA-N 0 0 439.540 1.842 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3nc4ccccc4s3)CC2=O)cc1 ZINC000036353090 569582920 /nfs/dbraw/zinc/58/29/20/569582920.db2.gz KQGUKHWRGWFRCO-ZDUSSCGKSA-N 0 0 444.538 2.538 50 0 IDAARN COC(=O)c1nc(NC(=O)Cn2nnc3ccccc3c2=O)sc1Cc1ccccc1 ZINC000072404203 569583729 /nfs/dbraw/zinc/58/37/29/569583729.db2.gz FFGFVYMNLRWTJZ-UHFFFAOYSA-N 0 0 435.465 2.264 50 0 IDAARN CS(=O)(=O)c1ccc2nc(NC(=O)CCn3nnc4ccccc4c3=O)sc2c1 ZINC000027445851 569584934 /nfs/dbraw/zinc/58/49/34/569584934.db2.gz JXLNQSZDKIJBSS-UHFFFAOYSA-N 0 0 429.483 1.834 50 0 IDAARN O=c1cccnn1CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000077099440 569585256 /nfs/dbraw/zinc/58/52/56/569585256.db2.gz WYBUWKNLFUKAKA-UHFFFAOYSA-N 0 0 427.324 1.012 50 0 IDAARN O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(CCn2ccnc2)CC1 ZINC000077099950 569585267 /nfs/dbraw/zinc/58/52/67/569585267.db2.gz RNDXLFAFBJBSLJ-MRXNPFEDSA-N 0 0 446.349 1.843 50 0 IDAARN COc1ccccc1C(=O)Nc1ccc(-n2nnn(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000077100274 569585375 /nfs/dbraw/zinc/58/53/75/569585375.db2.gz NFWIJQGMNVXMAY-UHFFFAOYSA-N 0 0 448.439 1.599 50 0 IDAARN Cn1nc(N2CCC[C@@H](C(=O)NCCn3nc(-c4cccs4)ccc3=O)C2)ccc1=O ZINC000077100966 569585466 /nfs/dbraw/zinc/58/54/66/569585466.db2.gz OVEWIFKIOUUYIY-OAHLLOKOSA-N 0 0 440.529 1.098 50 0 IDAARN CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@@H](O)c3cccs3)cc21 ZINC000077115812 569585631 /nfs/dbraw/zinc/58/56/31/569585631.db2.gz FYZVGLJMOZIAIY-MRXNPFEDSA-N 0 0 437.543 1.639 50 0 IDAARN COc1cccc(N2C[C@H](C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)CC2=O)c1 ZINC000077148666 569585704 /nfs/dbraw/zinc/58/57/04/569585704.db2.gz XHKZDDQFLRSPBR-MRXNPFEDSA-N 0 0 439.516 1.684 50 0 IDAARN COc1cccc(-c2noc(Cn3cccc(S(=O)(=O)N4CCCC4)c3=O)n2)c1OC ZINC000077199945 569586332 /nfs/dbraw/zinc/58/63/32/569586332.db2.gz PYCBHZOLXCNLQO-UHFFFAOYSA-N 0 0 446.485 1.748 50 0 IDAARN Cc1nn(Cc2noc(CNC(=O)c3ccccc3)n2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000033258134 569587380 /nfs/dbraw/zinc/58/73/80/569587380.db2.gz SRCPCJSXAMTBMR-UHFFFAOYSA-N 0 0 444.517 1.646 50 0 IDAARN CC(=O)N(Cc1nn(C)c2c1CN(S(=O)(=O)c1cn(C)c(C)n1)CC2)c1ccccc1 ZINC000035527678 569587671 /nfs/dbraw/zinc/58/76/71/569587671.db2.gz NHWHSZFPQCMYMQ-UHFFFAOYSA-N 0 0 442.545 1.762 50 0 IDAARN CCOC(=O)C1CCC(CNC(=O)NCCn2nnc3cc(C(=O)N(C)C)ccc32)CC1 ZINC000035505468 569587673 /nfs/dbraw/zinc/58/76/73/569587673.db2.gz XSDWADZHMJQNFR-UHFFFAOYSA-N 0 0 444.536 1.802 50 0 IDAARN C=CCN1C2=C(C(=O)N(CC(=O)NCCc3ccccn3)C2)[C@H](c2ccc(F)cc2)NC1=O ZINC000035964510 569587736 /nfs/dbraw/zinc/58/77/36/569587736.db2.gz BKMJXUXJMMTORE-QFIPXVFZSA-N 0 0 449.486 1.928 50 0 IDAARN Cn1c2nc(N3CCCCC3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000626085 193861125 /nfs/dbraw/zinc/86/11/25/193861125.db2.gz GHFDZKIMPKUUQG-HNNXBMFYSA-N 0 0 447.923 1.517 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000009844008 193903764 /nfs/dbraw/zinc/90/37/64/193903764.db2.gz NIDAKOJTZLRUEC-UHFFFAOYSA-N 0 0 426.498 1.591 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3F)c2=O)c1 ZINC000009857489 193909435 /nfs/dbraw/zinc/90/94/35/193909435.db2.gz NOVOPXUWJUYDBS-UHFFFAOYSA-N 0 0 438.419 1.831 50 0 IDAARN Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 ZINC000055107678 193936311 /nfs/dbraw/zinc/93/63/11/193936311.db2.gz SEZJNAYXMMSVOF-MRXNPFEDSA-N 0 0 425.411 1.746 50 0 IDAARN COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000009569908 132235076 /nfs/dbraw/zinc/23/50/76/132235076.db2.gz YKBDJKCCEPGLHJ-UHFFFAOYSA-N 0 0 435.521 1.645 50 0 IDAARN C[C@@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009569998 132235205 /nfs/dbraw/zinc/23/52/05/132235205.db2.gz UUUIWPWXAMLWPR-QGZVFWFLSA-N 0 0 435.521 1.861 50 0 IDAARN COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)COc2ccccc2)CC1 ZINC000009570159 132235655 /nfs/dbraw/zinc/23/56/55/132235655.db2.gz KVSNKWDNUVGMFU-UHFFFAOYSA-N 0 0 433.530 1.342 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000010188098 132243271 /nfs/dbraw/zinc/24/32/71/132243271.db2.gz FTEBNBKARXIWIU-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/15/48/63/522154863.db2.gz SFLFKFCNVNHMTO-UHFFFAOYSA-N 0 0 431.518 1.323 50 0 IDAARN CC[C@@H](C)NC(=O)Cn1cnc2nc(N3CCC[C@@H](C(=O)NC4CC4)C3)sc2c1=O ZINC000033141541 522175251 /nfs/dbraw/zinc/17/52/51/522175251.db2.gz OREFMCFJGMIKNK-CHWSQXEVSA-N 0 0 432.550 1.263 50 0 IDAARN COC(=O)c1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000012916886 522248804 /nfs/dbraw/zinc/24/88/04/522248804.db2.gz UZJJAWVEZABICL-UHFFFAOYSA-N 0 0 438.527 1.605 50 0 IDAARN CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 ZINC000010753456 522302450 /nfs/dbraw/zinc/30/24/50/522302450.db2.gz OJPKPVDWXUUHNY-UHFFFAOYSA-N 0 0 439.559 1.353 50 0 IDAARN CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021532127 522485649 /nfs/dbraw/zinc/48/56/49/522485649.db2.gz FNWBYBUILVTYLO-UHFFFAOYSA-N 0 0 445.497 1.627 50 0 IDAARN COc1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1 ZINC000020355069 522653581 /nfs/dbraw/zinc/65/35/81/522653581.db2.gz KMHWGJZUDRJDST-UHFFFAOYSA-N 0 0 435.458 1.456 50 0 IDAARN COc1cc(NC(=O)COC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC ZINC000022497634 522663929 /nfs/dbraw/zinc/66/39/29/522663929.db2.gz MDPBORAYOPLJEK-UHFFFAOYSA-N 0 0 441.440 1.684 50 0 IDAARN COC[C@H](C)n1c(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O ZINC000012533169 522666883 /nfs/dbraw/zinc/66/68/83/522666883.db2.gz OHODDAOJSYKKKF-KBPBESRZSA-N 0 0 439.559 1.342 50 0 IDAARN COc1cc(NC(=O)[C@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC ZINC000012322813 522712717 /nfs/dbraw/zinc/71/27/17/522712717.db2.gz YHPFXZBAQLXLDT-LBPRGKRZSA-N 0 0 440.456 1.635 50 0 IDAARN CN(CCCN1CCOCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000012433987 522754870 /nfs/dbraw/zinc/75/48/70/522754870.db2.gz GDXUNBQMEHKJCN-HXUWFJFHSA-N 0 0 440.610 1.400 50 0 IDAARN COCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000023100659 522789366 /nfs/dbraw/zinc/78/93/66/522789366.db2.gz JKWPVKATTKCVPK-UHFFFAOYSA-N 0 0 431.445 1.666 50 0 IDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1cnn(C)c1C ZINC000017094813 522873606 /nfs/dbraw/zinc/87/36/06/522873606.db2.gz SXJKHXXQZPRYFG-QJKHOBJASA-N 0 0 426.473 1.589 50 0 IDAARN COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 ZINC000021817162 522922233 /nfs/dbraw/zinc/92/22/33/522922233.db2.gz XSJZGRLCPSTLSK-AWEZNQCLSA-N 0 0 442.253 1.808 50 0 IDAARN COc1cc([C@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(Br)c1OC ZINC000020730450 522962291 /nfs/dbraw/zinc/96/22/91/522962291.db2.gz DULXBYUXHIXAAK-LLVKDONJSA-N 0 0 425.239 1.088 50 0 IDAARN COc1cc2ncn(CC(=O)NCC(=O)N[C@@H](C)CCCC(C)C)c(=O)c2cc1OC ZINC000020761606 523069593 /nfs/dbraw/zinc/06/95/93/523069593.db2.gz RMUHLEMICPSUOT-HNNXBMFYSA-N 0 0 432.521 1.861 50 0 biogenic IDAARN CCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cnc21 ZINC000012765882 523092041 /nfs/dbraw/zinc/09/20/41/523092041.db2.gz HPOIIZQLIUOALI-UHFFFAOYSA-N 0 0 429.864 1.847 50 0 IDAARN COC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nc(SC)ncc1Cl ZINC000041156303 523094998 /nfs/dbraw/zinc/09/49/98/523094998.db2.gz XEBZQHJVQMTHKG-CQSZACIVSA-N 0 0 436.921 1.872 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1)C(=O)OC ZINC000020762530 523117126 /nfs/dbraw/zinc/11/71/26/523117126.db2.gz GJWFEFWVJNGEPG-QFBILLFUSA-N 0 0 430.461 1.570 50 0 biogenic IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000020725482 523118778 /nfs/dbraw/zinc/11/87/78/523118778.db2.gz FTOXAXKTNVVVJE-QFBILLFUSA-N 0 0 448.451 1.709 50 0 IDAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1CCC(N)=O ZINC000012807324 523148920 /nfs/dbraw/zinc/14/89/20/523148920.db2.gz VKJSWPORTMLLFB-AWEZNQCLSA-N 0 0 431.518 1.421 50 0 IDAARN COc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1F ZINC000012573131 523166802 /nfs/dbraw/zinc/16/68/02/523166802.db2.gz LUWRYMKYWIWKAJ-UHFFFAOYSA-N 0 0 444.448 1.344 50 0 IDAARN COC(=O)CNC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 ZINC000012869643 523195399 /nfs/dbraw/zinc/19/53/99/523195399.db2.gz KYVRUQJFSZNPIS-UHFFFAOYSA-N 0 0 427.504 1.384 50 0 IDAARN COCCCN(CCNS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)Cc1ccco1 ZINC000021108526 523240861 /nfs/dbraw/zinc/24/08/61/523240861.db2.gz SSPZYSUEWYYIGO-UHFFFAOYSA-N 0 0 437.518 1.736 50 0 IDAARN COc1ccc(C2N=NC(=S)N2CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000012763084 523256667 /nfs/dbraw/zinc/25/66/67/523256667.db2.gz OTPHPFARRRJTIW-UHFFFAOYSA-N 0 0 433.515 1.206 50 0 IDAARN CCn1c2ccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2[nH]c(=O)c1=O ZINC000012928771 523262186 /nfs/dbraw/zinc/26/21/86/523262186.db2.gz BHFMAEIBACOQFZ-QGZVFWFLSA-N 0 0 428.514 1.575 50 0 IDAARN COc1ccc(-c2noc(CCn3c(=O)[nH]c4cc5c(cc4c3=O)OCO5)n2)c(OC)c1 ZINC000021873998 523284423 /nfs/dbraw/zinc/28/44/23/523284423.db2.gz FLRVQVLAEDHTLR-UHFFFAOYSA-N 0 0 438.396 1.728 50 0 IDAARN COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCCN4CCOCC4)C3)n2)cc1 ZINC000020923923 523298615 /nfs/dbraw/zinc/29/86/15/523298615.db2.gz ORPSOWZJDOXXTM-SFHVURJKSA-N 0 0 429.521 1.800 50 0 IDAARN COc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5cc(OC)ccc5[nH]c43)c2=O)cc1 ZINC000020610564 523310388 /nfs/dbraw/zinc/31/03/88/523310388.db2.gz VRXZSLIWMTWQDR-HXUWFJFHSA-N 0 0 434.452 1.965 50 0 biogenic IDAARN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000035336342 523315272 /nfs/dbraw/zinc/31/52/72/523315272.db2.gz ZNRMQLGHFGLVDG-UHFFFAOYSA-N 0 0 444.561 1.099 50 0 IDAARN COc1ccc(-n2c(CCNC(=O)c3cnc4ccccn4c3=O)nnc2SC)cc1 ZINC000012025942 523317521 /nfs/dbraw/zinc/31/75/21/523317521.db2.gz WJPJZQCTRNJLAB-UHFFFAOYSA-N 0 0 436.497 1.978 50 0 IDAARN CN(Cc1ccccc1)C(=O)CCc1nc(-c2nn(-c3ccccc3)c(=O)n(C)c2=O)no1 ZINC000035401825 523326661 /nfs/dbraw/zinc/32/66/61/523326661.db2.gz BWZAAMKWMHIRIU-UHFFFAOYSA-N 0 0 446.467 1.572 50 0 IDAARN COC(=O)C[C@H](NC(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1)C(=O)OC ZINC000011880288 523330753 /nfs/dbraw/zinc/33/07/53/523330753.db2.gz ZGPHVIHHYNXKPL-HRAATJIYSA-N 0 0 436.530 1.601 50 0 IDAARN COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000035770662 523342157 /nfs/dbraw/zinc/34/21/57/523342157.db2.gz IGAATKRTPSANQM-GJZGRUSLSA-N 0 0 446.554 1.851 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCCN3CCOCC3)c3ccccc3c2=O)c(OC)c1 ZINC000020768856 523342204 /nfs/dbraw/zinc/34/22/04/523342204.db2.gz NTFFAPFABHOYTB-UHFFFAOYSA-N 0 0 438.484 1.465 50 0 IDAARN COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000021842336 523342892 /nfs/dbraw/zinc/34/28/92/523342892.db2.gz IGAATKRTPSANQM-CABCVRRESA-N 0 0 446.554 1.851 50 0 IDAARN CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1cccc(OC)c1 ZINC000021713772 523486978 /nfs/dbraw/zinc/48/69/78/523486978.db2.gz QUUSQYGXEZVNCM-UHFFFAOYSA-N 0 0 447.495 1.753 50 0 IDAARN COCCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012825057 523496512 /nfs/dbraw/zinc/49/65/12/523496512.db2.gz CMJYKMNWLFYNDB-NSHDSACASA-N 0 0 437.478 1.208 50 0 IDAARN COCCCn1c(C(=O)NCCCN2CCOCC2)cc2c1nc1ccccn1c2=O ZINC000012421607 523498904 /nfs/dbraw/zinc/49/89/04/523498904.db2.gz BGOIXFLRHFRLMH-UHFFFAOYSA-N 0 0 427.505 1.138 50 0 IDAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O ZINC000008862311 523522179 /nfs/dbraw/zinc/52/21/79/523522179.db2.gz BCFKTWLHTQQKIU-UHFFFAOYSA-N 0 0 430.468 1.399 50 0 IDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000032997849 523561963 /nfs/dbraw/zinc/56/19/63/523561963.db2.gz JOLIGBAUSPFZQA-QHCPKHFHSA-N 0 0 431.452 1.275 50 0 IDAARN CCn1cnc2c1c(=O)n(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c(=O)n2Cc1ccccc1 ZINC000012532382 523566974 /nfs/dbraw/zinc/56/69/74/523566974.db2.gz URWZBKXAXAMGTG-IYBDPMFKSA-N 0 0 425.489 1.064 50 0 IDAARN COC(=O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C ZINC000012874375 523603392 /nfs/dbraw/zinc/60/33/92/523603392.db2.gz SILVQPMNDZIWFN-SFHVURJKSA-N 0 0 440.518 1.172 50 0 IDAARN COc1ccc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C ZINC000012791206 523604968 /nfs/dbraw/zinc/60/49/68/523604968.db2.gz IOYHOMPAFGNDDM-UHFFFAOYSA-N 0 0 430.486 1.454 50 0 IDAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCOC)C3)c(C)cc2NC1=O ZINC000035396644 523605243 /nfs/dbraw/zinc/60/52/43/523605243.db2.gz ARAYIIKKNCKUPS-HOCLYGCPSA-N 0 0 439.534 1.268 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1cccc(OC)c1 ZINC000035374199 523671153 /nfs/dbraw/zinc/67/11/53/523671153.db2.gz JYRMKXYIGWOJJO-UHFFFAOYSA-N 0 0 437.456 1.977 50 0 IDAARN CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccc2c(c1)OCO2 ZINC000021782254 523732755 /nfs/dbraw/zinc/73/27/55/523732755.db2.gz PGTPHYUCARMSGX-XMMPIXPASA-N 0 0 448.479 1.647 50 0 IDAARN CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 ZINC000021883672 523761815 /nfs/dbraw/zinc/76/18/15/523761815.db2.gz RTMXNFTTXUXNJU-UHFFFAOYSA-N 0 0 447.499 1.960 50 0 IDAARN CCc1cc(CC)n(-c2nc3c(c(=O)n(CCOC)c(=O)n3C)n2Cc2ccccc2)n1 ZINC000012519231 523785794 /nfs/dbraw/zinc/78/57/94/523785794.db2.gz JEEGAFVZXMZUEM-UHFFFAOYSA-N 0 0 436.516 1.902 50 0 IDAARN CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012892225 523810192 /nfs/dbraw/zinc/81/01/92/523810192.db2.gz PGFLKXBWOMFGJG-QGZVFWFLSA-N 0 0 428.576 1.439 50 0 IDAARN COc1ccc(C)cc1NC(=O)CCn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000021030032 523822242 /nfs/dbraw/zinc/82/22/42/523822242.db2.gz OQOMUJTZNWJNAI-UHFFFAOYSA-N 0 0 436.534 1.867 50 0 IDAARN CO[C@H](C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1)c1ccccc1 ZINC000014995578 523825036 /nfs/dbraw/zinc/82/50/36/523825036.db2.gz XXKXBBFCIDRLKT-QHCPKHFHSA-N 0 0 448.527 1.695 50 0 IDAARN COC(=O)[C@@](O)(COC(=O)c1cccc(Cl)c1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000012558704 523827660 /nfs/dbraw/zinc/82/76/60/523827660.db2.gz HALOWZHOEAFVJB-JKSUJKDBSA-N 0 0 436.770 1.585 50 0 IDAARN COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C(C)=O)cc4)CC3)NC2=O)cc1 ZINC000035445353 523875182 /nfs/dbraw/zinc/87/51/82/523875182.db2.gz PFBRILUSPAQFSC-UHFFFAOYSA-N 0 0 441.509 1.998 50 0 IDAARN COCCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020614659 523888639 /nfs/dbraw/zinc/88/86/39/523888639.db2.gz 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COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000012886539 523908934 /nfs/dbraw/zinc/90/89/34/523908934.db2.gz SJZKTGOZDCEJOJ-IBGZPJMESA-N 0 0 447.488 1.828 50 0 IDAARN COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 ZINC000009390488 523910079 /nfs/dbraw/zinc/91/00/79/523910079.db2.gz SIJIGUFKUYOXKL-UHFFFAOYSA-N 0 0 448.497 1.669 50 0 IDAARN COCCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1 ZINC000033263502 523911855 /nfs/dbraw/zinc/91/18/55/523911855.db2.gz HQMXMUDNTYLJES-CYBMUJFWSA-N 0 0 447.517 1.414 50 0 IDAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCCN3CCCCCC3=O)c2)CC1 ZINC000012852466 523917021 /nfs/dbraw/zinc/91/70/21/523917021.db2.gz BVZMWFASYIQIIU-UHFFFAOYSA-N 0 0 436.578 1.145 50 0 IDAARN COCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)ccc1OC ZINC000032889268 523959244 /nfs/dbraw/zinc/95/92/44/523959244.db2.gz BQVIKIGEHUGAAM-ZDUSSCGKSA-N 0 0 436.486 1.840 50 0 IDAARN COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cc(OC)cc(OC)c2)cc1 ZINC000012715131 523959771 /nfs/dbraw/zinc/95/97/71/523959771.db2.gz OGLJMMDCIKBRAX-QFIPXVFZSA-N 0 0 441.528 1.762 50 0 IDAARN COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cc(OC)cc(OC)c2)cc1 ZINC000012715135 523959958 /nfs/dbraw/zinc/95/99/58/523959958.db2.gz OGLJMMDCIKBRAX-JOCHJYFZSA-N 0 0 441.528 1.762 50 0 IDAARN CN(C)C(=O)CN1C(=O)COc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc21 ZINC000035560194 523986303 /nfs/dbraw/zinc/98/63/03/523986303.db2.gz VKVVKDQDKDLBAS-UHFFFAOYSA-N 0 0 440.475 1.602 50 0 IDAARN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OC)cc3)c(=O)n12 ZINC000013361633 523998831 /nfs/dbraw/zinc/99/88/31/523998831.db2.gz VHLUQZNUIQOUOE-SQWKQDNASA-N 0 0 436.489 1.868 50 0 IDAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NCc1ccco1 ZINC000015942860 524022100 /nfs/dbraw/zinc/02/21/00/524022100.db2.gz VCKGTDUIJFMUDS-UHFFFAOYSA-N 0 0 427.438 1.958 50 0 IDAARN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)NCc1cccnc1 ZINC000020574780 524022372 /nfs/dbraw/zinc/02/23/72/524022372.db2.gz LDEZOZBRZKCGOM-UHFFFAOYSA-N 0 0 438.465 1.760 50 0 IDAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000035828521 524022908 /nfs/dbraw/zinc/02/29/08/524022908.db2.gz GGTHKMHFWXWEAZ-UHFFFAOYSA-N 0 0 440.456 1.953 50 0 IDAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000035828572 524024314 /nfs/dbraw/zinc/02/43/14/524024314.db2.gz NEQSNYYWENGCJQ-UHFFFAOYSA-N 0 0 440.456 1.953 50 0 IDAARN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc3c(c1)OCO3)C(=O)CS2 ZINC000035481735 524026790 /nfs/dbraw/zinc/02/67/90/524026790.db2.gz OLWBAKCIYWQFDZ-UHFFFAOYSA-N 0 0 427.482 1.872 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCSc2nccn2C)c(F)c1 ZINC000012302518 524033955 /nfs/dbraw/zinc/03/39/55/524033955.db2.gz RMNAQGPCMKBBGG-KRWDZBQOSA-N 0 0 435.525 1.167 50 0 IDAARN COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000020614062 524045073 /nfs/dbraw/zinc/04/50/73/524045073.db2.gz ILPXUJONIOVCHW-IBGZPJMESA-N 0 0 441.484 1.230 50 0 IDAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)cc1 ZINC000035452575 524049366 /nfs/dbraw/zinc/04/93/66/524049366.db2.gz AIWIQYIVPQLZIU-CQSZACIVSA-N 0 0 447.513 1.660 50 0 IDAARN COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 ZINC000015674649 524049850 /nfs/dbraw/zinc/04/98/50/524049850.db2.gz VBOHQKBQOAHXNN-UHFFFAOYSA-N 0 0 445.541 1.886 50 0 IDAARN COc1ccc(CNS(=O)(=O)c2cc(N3C(=O)CCC3=O)ccc2OC)cc1OC ZINC000012200806 524074023 /nfs/dbraw/zinc/07/40/23/524074023.db2.gz PUUJMCODPMCYKT-UHFFFAOYSA-N 0 0 434.470 1.844 50 0 IDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3cc(=O)n4ccsc4n3)CC1)C2=O ZINC000022796757 524181987 /nfs/dbraw/zinc/18/19/87/524181987.db2.gz STWAZPKXIFKVEL-VFNWGFHPSA-N 0 0 444.561 1.332 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4n(C)c3=O)CC2)c1 ZINC000012921080 524188085 /nfs/dbraw/zinc/18/80/85/524188085.db2.gz GTNXCVWJBKGLEH-UHFFFAOYSA-N 0 0 442.541 1.490 50 0 IDAARN COc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000012444946 524197290 /nfs/dbraw/zinc/19/72/90/524197290.db2.gz 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COc1ccc(N2C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3CO)CC2=O)cc1 ZINC000012881840 524443551 /nfs/dbraw/zinc/44/35/51/524443551.db2.gz GTDKPPDIHTZNQJ-QRFRQXIXSA-N 0 0 431.533 1.562 50 0 biogenic IDAARN COc1ccccc1CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021528801 524445257 /nfs/dbraw/zinc/44/52/57/524445257.db2.gz YVFSTEYTCPWVNL-JOCHJYFZSA-N 0 0 445.541 1.374 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCOCC4)nc3)CC2=O)c(OC)c1 ZINC000012224035 524446784 /nfs/dbraw/zinc/44/67/84/524446784.db2.gz XFUGMJQFFIHMSS-QGZVFWFLSA-N 0 0 440.500 1.605 50 0 IDAARN COc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012825629 524480574 /nfs/dbraw/zinc/48/05/74/524480574.db2.gz GQZZIBPHVXIJCC-UHFFFAOYSA-N 0 0 447.513 1.475 50 0 IDAARN Cc1cc(C)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1 ZINC000012786001 524505660 /nfs/dbraw/zinc/50/56/60/524505660.db2.gz FDSSWQUWYSTFDZ-UHFFFAOYSA-N 0 0 441.351 1.796 50 0 IDAARN Cc1cc(C)n(CCNC(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)n1 ZINC000012075117 524529502 /nfs/dbraw/zinc/52/95/02/524529502.db2.gz YZDMZOIRGUXANE-UHFFFAOYSA-N 0 0 449.577 1.580 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C(=O)NCc4ccccn4)cc3C(=O)N2C)cc1 ZINC000021877001 524545419 /nfs/dbraw/zinc/54/54/19/524545419.db2.gz NBGLVJZCXTVIMP-XMMPIXPASA-N 0 0 446.511 1.677 50 0 IDAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(C(=O)NCc4ccco4)cc3C(=O)N2C)cc1 ZINC000021877038 524545626 /nfs/dbraw/zinc/54/56/26/524545626.db2.gz LIXVITRSFXVENF-HSZRJFAPSA-N 0 0 435.484 1.875 50 0 IDAARN Cc1cccc(N2CCN(C(=O)Cn3cnc(S(=O)(=O)N4CCCC4)c3)CC2)c1C ZINC000015734563 524547569 /nfs/dbraw/zinc/54/75/69/524547569.db2.gz CBSDQAFZPHVMJB-UHFFFAOYSA-N 0 0 431.562 1.633 50 0 IDAARN COc1ccccc1N1CCN(C(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)CC1 ZINC000020727250 524548578 /nfs/dbraw/zinc/54/85/78/524548578.db2.gz HQFSAKLMNZLRCB-UHFFFAOYSA-N 0 0 438.484 1.771 50 0 IDAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCc3cccnc3)n2)CC1 ZINC000035375476 524564519 /nfs/dbraw/zinc/56/45/19/524564519.db2.gz IFBHXVHYAUVEOB-UHFFFAOYSA-N 0 0 434.500 1.290 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000012289093 524764734 /nfs/dbraw/zinc/76/47/34/524764734.db2.gz IWNXKUMTHIOTMJ-HZPDHXFCSA-N 0 0 427.505 1.408 50 0 IDAARN Cc1cc(Cc2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccccc3)cc2)c(=O)[nH]n1 ZINC000033321237 524840360 /nfs/dbraw/zinc/84/03/60/524840360.db2.gz WAPIMNDAKVBVEP-UHFFFAOYSA-N 0 0 426.498 1.928 50 0 IDAARN COc1ccc(OC)c(NC(=O)CSCC(=O)Nc2csc3nc(=O)c(C)nn23)c1 ZINC000020731464 524850955 /nfs/dbraw/zinc/85/09/55/524850955.db2.gz KNVNAMCNSVPAHT-UHFFFAOYSA-N 0 0 449.514 1.787 50 0 IDAARN C[C@@H]1CN(C(=O)c2cccc(OC3CCN(S(=O)(=O)N(C)C)CC3)c2)C[C@H](C)O1 ZINC000012303726 524874365 /nfs/dbraw/zinc/87/43/65/524874365.db2.gz MGOVOWRAYYWNAN-IYBDPMFKSA-N 0 0 425.551 1.586 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(C=O)cc3)CC2)c1 ZINC000012855123 524875012 /nfs/dbraw/zinc/87/50/12/524875012.db2.gz GBOGDGCTEZELJF-UHFFFAOYSA-N 0 0 448.497 1.428 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CSC[C@@H]2C(=O)NCc2csc(C)n2)c1 ZINC000021708163 524877306 /nfs/dbraw/zinc/87/73/06/524877306.db2.gz HEWIMVVPQXBMAX-CQSZACIVSA-N 0 0 443.572 1.849 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1 ZINC000035598091 524877547 /nfs/dbraw/zinc/87/75/47/524877547.db2.gz UOJGCZPQKITFRY-UHFFFAOYSA-N 0 0 444.517 1.499 50 0 IDAARN Cc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000035363874 524953518 /nfs/dbraw/zinc/95/35/18/524953518.db2.gz BDRXNLLNSXNAAR-ZCEGFOITSA-N 0 0 449.463 1.025 50 0 biogenic IDAARN Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1C ZINC000022474814 524960269 /nfs/dbraw/zinc/96/02/69/524960269.db2.gz WCKUSSCRKMFBJB-UHFFFAOYSA-N 0 0 438.532 1.388 50 0 IDAARN Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2=O)cc1 ZINC000012407719 524981441 /nfs/dbraw/zinc/98/14/41/524981441.db2.gz NVUFUKWFEQNBDM-LJQANCHMSA-N 0 0 440.544 1.310 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)OCCN3C(=O)c4ccccc4S3(=O)=O)CC2=O)cc1 ZINC000012771604 524982770 /nfs/dbraw/zinc/98/27/70/524982770.db2.gz DZUATJILESRHDI-HNNXBMFYSA-N 0 0 428.466 1.736 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O ZINC000012549368 524999601 /nfs/dbraw/zinc/99/96/01/524999601.db2.gz ZCJMCQKTQUQRDZ-UHFFFAOYSA-N 0 0 435.289 1.448 50 0 IDAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc1 ZINC000020492006 525029669 /nfs/dbraw/zinc/02/96/69/525029669.db2.gz CDTIDGTVKDMSPY-UHFFFAOYSA-N 0 0 430.486 1.760 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C[C@H](C)O1 ZINC000012598721 525049916 /nfs/dbraw/zinc/04/99/16/525049916.db2.gz IIQNAOVFOSBSRB-CALCHBBNSA-N 0 0 445.545 1.237 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C[C@@H](C)O1 ZINC000012139980 525050649 /nfs/dbraw/zinc/05/06/49/525050649.db2.gz GTXJDDQTAFJMIO-CHWSQXEVSA-N 0 0 443.481 1.620 50 0 IDAARN COc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000012408863 525056756 /nfs/dbraw/zinc/05/67/56/525056756.db2.gz BXDKMWGSRIVBTJ-OAHLLOKOSA-N 0 0 429.502 1.422 50 0 IDAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)c1ccc(F)cc1 ZINC000012784977 525071375 /nfs/dbraw/zinc/07/13/75/525071375.db2.gz CZDQNBJMUJJLMA-CYBMUJFWSA-N 0 0 436.509 1.541 50 0 IDAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(c3nccs3)CC2)C(C)C)cc1 ZINC000021472339 525071460 /nfs/dbraw/zinc/07/14/60/525071460.db2.gz YBAFKBYTMCXHIK-KRWDZBQOSA-N 0 0 438.575 1.803 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1NC(C)=O ZINC000012508134 525084364 /nfs/dbraw/zinc/08/43/64/525084364.db2.gz LSUPIXPPPNPDOU-UHFFFAOYSA-N 0 0 427.504 1.705 50 0 IDAARN C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 ZINC000012819951 525102134 /nfs/dbraw/zinc/10/21/34/525102134.db2.gz OEPKLDBXGFRPCJ-FATZIPQQSA-N 0 0 437.452 1.865 50 0 IDAARN C[C@H]1[C@H](c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000012417209 525116842 /nfs/dbraw/zinc/11/68/42/525116842.db2.gz JMCAFHDDCDQCDJ-IFXJQAMLSA-N 0 0 429.498 1.388 50 0 IDAARN Cc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012796405 525117063 /nfs/dbraw/zinc/11/70/63/525117063.db2.gz SRHNHGFESJGJOZ-UHFFFAOYSA-N 0 0 432.546 1.492 50 0 IDAARN COc1ccc([C@@H](CNC(=O)CN2C(=O)C(=O)N(C)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000012567479 525181443 /nfs/dbraw/zinc/18/14/43/525181443.db2.gz AUCOLSWBEBZEOL-QGZVFWFLSA-N 0 0 434.452 1.845 50 0 IDAARN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)ccc1Br ZINC000020511018 525232713 /nfs/dbraw/zinc/23/27/13/525232713.db2.gz QBDLXGGOYJKEIY-AWEZNQCLSA-N 0 0 446.367 1.985 50 0 IDAARN CS(=O)(=O)c1ccc(N2CCN(CCOc3ccccc3)CC2)c(S(C)(=O)=O)c1 ZINC000012554702 525253518 /nfs/dbraw/zinc/25/35/18/525253518.db2.gz KQLYBJGCGYRVKJ-UHFFFAOYSA-N 0 0 438.571 1.695 50 0 IDAARN C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000024756778 525303392 /nfs/dbraw/zinc/30/33/92/525303392.db2.gz GYEFWVKFYANGKH-DOMZBBRYSA-N 0 0 444.351 1.054 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)NCCCN3CCOCC3)c2)cc1 ZINC000021931425 525501079 /nfs/dbraw/zinc/50/10/79/525501079.db2.gz VIEXVVRAJDYAJA-UHFFFAOYSA-N 0 0 432.546 1.667 50 0 IDAARN COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)NCCN4CCOCC4)c3C)ncc1CC2 ZINC000020451620 525505640 /nfs/dbraw/zinc/50/56/40/525505640.db2.gz NDBYSZCJDHAWJD-UHFFFAOYSA-N 0 0 448.527 1.807 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)cc1 ZINC000009665452 525529583 /nfs/dbraw/zinc/52/95/83/525529583.db2.gz IISBCAPAHRTYFG-UHFFFAOYSA-N 0 0 440.525 1.697 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)cc1 ZINC000012140187 525531146 /nfs/dbraw/zinc/53/11/46/525531146.db2.gz GDWQBVABKVAMPO-IBGZPJMESA-N 0 0 449.504 1.304 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(Cc3ccncc3)CC2)cc1 ZINC000012551180 525538119 /nfs/dbraw/zinc/53/81/19/525538119.db2.gz RHRNOYFMEPASMD-NRFANRHFSA-N 0 0 428.558 1.888 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1C ZINC000035351365 525540959 /nfs/dbraw/zinc/54/09/59/525540959.db2.gz KPPRKVXDTWNCDD-UHFFFAOYSA-N 0 0 443.529 1.418 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NCc3ccccc3)CC2)cc1 ZINC000035351287 525542097 /nfs/dbraw/zinc/54/20/97/525542097.db2.gz NIOQHRBZVJQVND-UHFFFAOYSA-N 0 0 430.530 1.327 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccco1 ZINC000012533539 525548150 /nfs/dbraw/zinc/54/81/50/525548150.db2.gz QUOQUQNRQXVKMW-FNORWQNLSA-N 0 0 434.470 1.804 50 0 IDAARN Cc1c(C(=O)N(C)C[C@@H](O)CO)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 ZINC000012217489 525556041 /nfs/dbraw/zinc/55/60/41/525556041.db2.gz HXYZTBAXROIACK-CYBMUJFWSA-N 0 0 430.486 1.766 50 0 IDAARN Cc1c(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)sc2[nH]cnc(=O)c12 ZINC000012677504 525579863 /nfs/dbraw/zinc/57/98/63/525579863.db2.gz UKHMHPRJDKTXAD-OAHLLOKOSA-N 0 0 440.481 1.417 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)N1c3ccccc3C[C@H]1C)OCC(=O)N2 ZINC000021650839 525611157 /nfs/dbraw/zinc/61/11/57/525611157.db2.gz PBMFNLPSUSMGDM-CQSZACIVSA-N 0 0 429.498 1.924 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1F)OCC(=O)N2 ZINC000035451989 525611282 /nfs/dbraw/zinc/61/12/82/525611282.db2.gz POVKUBJKCNCTPO-UHFFFAOYSA-N 0 0 425.413 1.863 50 0 IDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)NCc4ccccc4)CC3)cc2NC1=O ZINC000033021736 525611719 /nfs/dbraw/zinc/61/17/19/525611719.db2.gz FBXHJERCDBFCMS-HNNXBMFYSA-N 0 0 444.513 1.622 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCc2ccccn2)c2ccco2)cc1 ZINC000017043306 525627744 /nfs/dbraw/zinc/62/77/44/525627744.db2.gz VHIAZDGHDWUHDX-IBGZPJMESA-N 0 0 427.482 1.931 50 0 IDAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCCN2CCOCC2)cc1 ZINC000020861535 525634086 /nfs/dbraw/zinc/63/40/86/525634086.db2.gz HFRIBEYTBSRWMX-UHFFFAOYSA-N 0 0 445.588 1.432 50 0 IDAARN C[C@@H]1c2cc(C(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)ccc2NC1=O ZINC000012879864 525716944 /nfs/dbraw/zinc/71/69/44/525716944.db2.gz WLDQEENCJRLNMB-VXGBXAGGSA-N 0 0 434.543 1.823 50 0 IDAARN COc1cccc(-c2noc(CCn3c(=O)[nH]c4cc5c(cc4c3=O)OCO5)n2)c1OC ZINC000021874001 525735656 /nfs/dbraw/zinc/73/56/56/525735656.db2.gz DYWWHAYFEHSFIC-UHFFFAOYSA-N 0 0 438.396 1.728 50 0 IDAARN C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)Cc2ccccc2C(=O)O1 ZINC000012936492 525786319 /nfs/dbraw/zinc/78/63/19/525786319.db2.gz WPYSUOXFLRLPSM-NRFANRHFSA-N 0 0 432.473 1.830 50 0 IDAARN Cc1c(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000021885905 525823547 /nfs/dbraw/zinc/82/35/47/525823547.db2.gz VZXALJLDEXAPNR-UHFFFAOYSA-N 0 0 436.487 1.875 50 0 IDAARN C[C@@]1(C2CC2)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1=O ZINC000023718487 525823637 /nfs/dbraw/zinc/82/36/37/525823637.db2.gz QLLAQDCJRMEMLW-QFIPXVFZSA-N 0 0 446.573 1.550 50 0 IDAARN C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)N1CCCC1 ZINC000020822218 525858336 /nfs/dbraw/zinc/85/83/36/525858336.db2.gz GORPBNYZKORCSS-BMIGLBTASA-N 0 0 439.317 1.187 50 0 IDAARN Cc1c(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(=O)n(-c2ccccc2)n1C ZINC000020491751 525872937 /nfs/dbraw/zinc/87/29/37/525872937.db2.gz KOWMAQNEOSSQCU-UHFFFAOYSA-N 0 0 428.470 1.925 50 0 IDAARN C[C@@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017123263 525886201 /nfs/dbraw/zinc/88/62/01/525886201.db2.gz ZNVUNDZVHUEIBW-CYBMUJFWSA-N 0 0 431.445 1.930 50 0 IDAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(CCc3ccccc3)CC2)C1=O ZINC000012756735 525892458 /nfs/dbraw/zinc/89/24/58/525892458.db2.gz NJUPLWWBBZLCBS-DEOSSOPVSA-N 0 0 438.503 1.980 50 0 IDAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000009666549 525905357 /nfs/dbraw/zinc/90/53/57/525905357.db2.gz VOJFAEVNTVSPJB-YWZLYKJASA-N 0 0 431.470 1.267 50 0 IDAARN Cc1ccc(-n2nnnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000023818174 525938231 /nfs/dbraw/zinc/93/82/31/525938231.db2.gz BNVFNSXEHFFUFD-UHFFFAOYSA-N 0 0 429.506 1.595 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1cccc(Cl)c1 ZINC000020517837 525944000 /nfs/dbraw/zinc/94/40/00/525944000.db2.gz AYWKIPLDCMZGTC-UHFFFAOYSA-N 0 0 442.907 1.433 50 0 IDAARN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N(CCO)Cc2ccccc2)c1OC ZINC000012587914 525948356 /nfs/dbraw/zinc/94/83/56/525948356.db2.gz NBJZHEZUDHRYGX-HXUWFJFHSA-N 0 0 441.528 1.415 50 0 IDAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000012568743 526050357 /nfs/dbraw/zinc/05/03/57/526050357.db2.gz HXBPVAYWEYHAIO-AVRDEDQJSA-N 0 0 447.557 1.720 50 0 IDAARN COc1cccc(COc2cn(C)c(C(=O)N3CCN(c4ncccn4)CC3)cc2=O)c1 ZINC000012167428 526061636 /nfs/dbraw/zinc/06/16/36/526061636.db2.gz IYFLFDSPKQXDIU-UHFFFAOYSA-N 0 0 435.484 1.725 50 0 IDAARN C[C@H](C(=O)NCc1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000035380495 526089960 /nfs/dbraw/zinc/08/99/60/526089960.db2.gz HNFRQRMUKQWAFW-MRXNPFEDSA-N 0 0 449.529 1.452 50 0 IDAARN Cc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1NC(=O)c1ccco1 ZINC000012613354 526111276 /nfs/dbraw/zinc/11/12/76/526111276.db2.gz HUUCVAJCRHHFGJ-UHFFFAOYSA-N 0 0 440.500 1.457 50 0 IDAARN Cc1cc(=O)c(C(=O)NCCCN2CCOCC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000020996544 526128138 /nfs/dbraw/zinc/12/81/38/526128138.db2.gz ODANKRCRVUPIJS-IBGZPJMESA-N 0 0 441.528 1.757 50 0 IDAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCN(CCO)CC4)c12)OC(C)(C)CC3 ZINC000020759524 526146847 /nfs/dbraw/zinc/14/68/47/526146847.db2.gz SWBWPCMIIJICCC-UHFFFAOYSA-N 0 0 430.501 1.720 50 0 biogenic IDAARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000022787152 526150036 /nfs/dbraw/zinc/15/00/36/526150036.db2.gz AURXXRHCEDFPCC-CQSZACIVSA-N 0 0 441.513 1.630 50 0 IDAARN COc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000017969005 526173735 /nfs/dbraw/zinc/17/37/35/526173735.db2.gz JPILSYHKHYFEQY-UHFFFAOYSA-N 0 0 447.513 1.427 50 0 IDAARN Cc1ccc2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000035363886 526213948 /nfs/dbraw/zinc/21/39/48/526213948.db2.gz FJRWKXNZDUURGR-MAVLCVCESA-N 0 0 449.463 1.025 50 0 biogenic IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363869 526221081 /nfs/dbraw/zinc/22/10/81/526221081.db2.gz OJLSSLQLXZDJDV-IFDTWAIBSA-N 0 0 433.508 1.647 50 0 biogenic IDAARN COc1cccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)c1 ZINC000012445074 526229068 /nfs/dbraw/zinc/22/90/68/526229068.db2.gz SNADJIJKLZXRRI-UHFFFAOYSA-N 0 0 447.557 1.651 50 0 IDAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000035351302 526257010 /nfs/dbraw/zinc/25/70/10/526257010.db2.gz QRINXZCWNHLGIM-UHFFFAOYSA-N 0 0 442.589 1.743 50 0 IDAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc(CCNS(C)(=O)=O)s1)C2=O ZINC000012813058 526263596 /nfs/dbraw/zinc/26/35/96/526263596.db2.gz NSQVMZZEIWPYIX-SGTLLEGYSA-N 0 0 427.548 1.523 50 0 IDAARN Cc1nn(CCC(=O)NCc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029656 526277885 /nfs/dbraw/zinc/27/78/85/526277885.db2.gz KFQYGNFYNUXPNB-UHFFFAOYSA-N 0 0 440.953 1.881 50 0 IDAARN 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C[C@@H]1CN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccccc2Cl)NC(=O)N3C)C[C@@H](C)O1 ZINC000034792805 555916584 /nfs/dbraw/zinc/91/65/84/555916584.db2.gz PCBOQOSZKAYXIP-VPZZIHKRSA-N 0 0 432.908 1.768 50 0 IDAARN COCCCN(CC(=O)N(CCOC)Cc1cccn1C)C(=O)c1ccc2c(c1)OCO2 ZINC000034856533 555924510 /nfs/dbraw/zinc/92/45/10/555924510.db2.gz QNHOLWBBMQFRGP-UHFFFAOYSA-N 0 0 445.516 1.908 50 0 IDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000034861215 555924908 /nfs/dbraw/zinc/92/49/08/555924908.db2.gz BMWGTLBVDFGIJA-JZXOWHBKSA-N 0 0 437.562 1.966 50 0 IDAARN Cc1c(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000003612212 555940793 /nfs/dbraw/zinc/94/07/93/555940793.db2.gz HPXQJDDTWLKPCI-UHFFFAOYSA-N 0 0 443.529 1.736 50 0 IDAARN COCCOC(=O)C1=C(N)Oc2c(=O)cc(CO)oc2[C@H]1c1c(F)cccc1Cl ZINC000003628018 555941386 /nfs/dbraw/zinc/94/13/86/555941386.db2.gz FFLPSDIPYVNBRC-AWEZNQCLSA-N 0 0 425.796 1.809 50 0 IDAARN CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 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CCc1ccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(CCOC)c2=O)cc1 ZINC000032958175 556452308 /nfs/dbraw/zinc/45/23/08/556452308.db2.gz RXECUXFTFIYSQO-UHFFFAOYSA-N 0 0 429.521 1.430 50 0 IDAARN CCc1cccc(NC(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(CCOC)c2=O)c1 ZINC000032958181 556452359 /nfs/dbraw/zinc/45/23/59/556452359.db2.gz QWGSKCARUWLNSG-UHFFFAOYSA-N 0 0 429.521 1.430 50 0 IDAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000013069927 556452855 /nfs/dbraw/zinc/45/28/55/556452855.db2.gz CMVDLZXZDWTOHZ-UWJYYQICSA-N 0 0 435.546 1.515 50 0 IDAARN COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)Nc1ccc(F)cc1F ZINC000072274985 556453345 /nfs/dbraw/zinc/45/33/45/556453345.db2.gz WGCZLOAERVLJEI-UHFFFAOYSA-N 0 0 449.395 1.270 50 0 IDAARN CC(C)CN(C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000013072534 556454083 /nfs/dbraw/zinc/45/40/83/556454083.db2.gz WFJZSIJFNSTMIB-OAHLLOKOSA-N 0 0 449.529 1.071 50 0 IDAARN CCOC(=O)[C@@H]1[C@H](c2cn(-c3nc(C)cc(C)n3)nc2C)NC(=O)N[C@@]1(O)C(F)(F)F 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JPMWVDHIXDOVGK-HIFRSBDPSA-N 0 0 429.473 1.664 50 0 IDAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1 ZINC000013112526 556464798 /nfs/dbraw/zinc/46/47/98/556464798.db2.gz PLNVYBHYPRJWAT-UHFFFAOYSA-N 0 0 434.861 1.191 50 0 IDAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000013114561 556466995 /nfs/dbraw/zinc/46/69/95/556466995.db2.gz QIDQVZIUMYQWAE-UHFFFAOYSA-N 0 0 427.482 1.893 50 0 IDAARN C[C@@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000013115715 556468181 /nfs/dbraw/zinc/46/81/81/556468181.db2.gz AJQZTAKQBATWLI-TXEJJXNPSA-N 0 0 435.887 1.888 50 0 IDAARN Cc1cc(=O)n2nc(CN3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)sc2n1 ZINC000029142778 556468478 /nfs/dbraw/zinc/46/84/78/556468478.db2.gz NJDCJFFNLQVABY-MRXNPFEDSA-N 0 0 427.486 1.086 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000013116256 556468883 /nfs/dbraw/zinc/46/88/83/556468883.db2.gz KEQAZUYHIWFLOF-KRWDZBQOSA-N 0 0 433.505 1.396 50 0 IDAARN CSc1nc(C)c(CCC(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1 ZINC000029182606 556469216 /nfs/dbraw/zinc/46/92/16/556469216.db2.gz SJYUWNHATSZVMI-STQMWFEESA-N 0 0 430.596 1.303 50 0 IDAARN COC(=O)[C@@H]1CCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCn2ccnc2)C1=O ZINC000014986385 556472699 /nfs/dbraw/zinc/47/26/99/556472699.db2.gz DEXWEYMJOVMSQT-MBSDFSHPSA-N 0 0 438.484 1.134 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(Cc3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1OC ZINC000013121002 556473537 /nfs/dbraw/zinc/47/35/37/556473537.db2.gz SAOGWSILHARLJY-NRFANRHFSA-N 0 0 447.513 1.921 50 0 IDAARN Cc1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1NS(C)(=O)=O ZINC000029363280 556473729 /nfs/dbraw/zinc/47/37/29/556473729.db2.gz PDFQINOBYOBKPY-KRWDZBQOSA-N 0 0 436.578 1.525 50 0 IDAARN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1OC ZINC000072284021 556474798 /nfs/dbraw/zinc/47/47/98/556474798.db2.gz LXNDQDUQRUBCLL-AWEZNQCLSA-N 0 0 433.486 1.021 50 0 IDAARN COc1ccc(OC)c(NC(=O)CN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c1 ZINC000029450204 556475714 /nfs/dbraw/zinc/47/57/14/556475714.db2.gz WYKXLFNTYNOLGS-UHFFFAOYSA-N 0 0 437.500 1.468 50 0 IDAARN CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(OC)cc1 ZINC000013127372 556475984 /nfs/dbraw/zinc/47/59/84/556475984.db2.gz BSHMBAHJMWWVFR-KRWDZBQOSA-N 0 0 432.454 1.806 50 0 IDAARN NC(=O)c1ccsc1NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013127689 556476478 /nfs/dbraw/zinc/47/64/78/556476478.db2.gz YCTUJJXPTUGYSU-UHFFFAOYSA-N 0 0 440.522 1.321 50 0 IDAARN Cc1cc2c(c(F)c1)N(CN1CCN(S(=O)(=O)N3CCCCCC3)CC1)C(=O)C2=O ZINC000029503889 556476864 /nfs/dbraw/zinc/47/68/64/556476864.db2.gz JVFWBGDYGSUJJG-UHFFFAOYSA-N 0 0 438.525 1.359 50 0 IDAARN Cc1csc2nc(COC(=O)CCCNC3=NS(=O)(=O)c4ccccc43)cc(=O)n12 ZINC000013128734 556478149 /nfs/dbraw/zinc/47/81/49/556478149.db2.gz FAHZYJWBOKAJLC-UHFFFAOYSA-N 0 0 446.510 1.627 50 0 IDAARN O=C(COc1cccc(-n2cnnn2)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013128917 556478499 /nfs/dbraw/zinc/47/84/99/556478499.db2.gz GIPNKUFXSVVIBP-UHFFFAOYSA-N 0 0 428.474 1.464 50 0 IDAARN CCOC(=O)C1=C(Cn2nnc3ccccc3c2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013129868 556479514 /nfs/dbraw/zinc/47/95/14/556479514.db2.gz CCLURELADVRLTP-LJQANCHMSA-N 0 0 435.440 1.671 50 0 IDAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCc2ccccc2C1 ZINC000013134154 556482000 /nfs/dbraw/zinc/48/20/00/556482000.db2.gz RQPGZNWZJHBYBG-UHFFFAOYSA-N 0 0 444.509 1.449 50 0 IDAARN COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1OC ZINC000013135054 556483060 /nfs/dbraw/zinc/48/30/60/556483060.db2.gz YIRFWQZHUKOYRB-UHFFFAOYSA-N 0 0 428.850 1.800 50 0 IDAARN CCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000013137860 556484696 /nfs/dbraw/zinc/48/46/96/556484696.db2.gz SQHLHWYJFORWSN-UHFFFAOYSA-N 0 0 443.460 1.381 50 0 IDAARN COc1ccc([C@H](CNC(=O)CNC(=O)NCc2ccc(F)cc2)N2CCOCC2)cc1 ZINC000029901003 556486257 /nfs/dbraw/zinc/48/62/57/556486257.db2.gz ULTUYBGAGMQKBB-NRFANRHFSA-N 0 0 444.507 1.823 50 0 IDAARN CCn1cc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)OC)c(C)n1 ZINC000013143474 556487112 /nfs/dbraw/zinc/48/71/12/556487112.db2.gz XKWVEXZLFVLRPN-JOCIAKSLSA-N 0 0 438.509 1.384 50 0 IDAARN COc1cccc([C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c2nccn2C)c1 ZINC000029975706 556487643 /nfs/dbraw/zinc/48/76/43/556487643.db2.gz APMIYYUGUQYLIZ-WOJBJXKFSA-N 0 0 432.484 1.755 50 0 IDAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000013148226 556489747 /nfs/dbraw/zinc/48/97/47/556489747.db2.gz JEFNFRUOVSPNMC-UHFFFAOYSA-N 0 0 444.465 1.842 50 0 IDAARN C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)CCCn1nnnc1CN1CCOCC1 ZINC000015061696 556490540 /nfs/dbraw/zinc/49/05/40/556490540.db2.gz CKWVTHGNIUQLJS-INIZCTEOSA-N 0 0 430.509 1.276 50 0 IDAARN CCNC(=O)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000013149760 556491654 /nfs/dbraw/zinc/49/16/54/556491654.db2.gz UXQSRDAHDKBODS-CJNGLKHVSA-N 0 0 435.525 1.996 50 0 IDAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000013150136 556492301 /nfs/dbraw/zinc/49/23/01/556492301.db2.gz VHLOSHOSVDWSLA-UHFFFAOYSA-N 0 0 437.474 1.614 50 0 IDAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000013164254 556496113 /nfs/dbraw/zinc/49/61/13/556496113.db2.gz RBYOKCPUBXHGLD-LJQANCHMSA-N 0 0 442.501 1.117 50 0 IDAARN C[C@H]1c2cccn2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000013164493 556496459 /nfs/dbraw/zinc/49/64/59/556496459.db2.gz ICVDDSWROULFTF-SFHVURJKSA-N 0 0 442.585 1.887 50 0 IDAARN O=C(CN1CCOCC1)N1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000030584587 556498668 /nfs/dbraw/zinc/49/86/68/556498668.db2.gz HQWWYRBKNQJCOJ-UHFFFAOYSA-N 0 0 430.730 1.719 50 0 IDAARN Cc1ccc(CN2C[C@@H](C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2=O)cc1 ZINC000030643771 556500785 /nfs/dbraw/zinc/50/07/85/556500785.db2.gz PPMBOCZRKMFSND-NRFANRHFSA-N 0 0 436.560 1.462 50 0 IDAARN COc1ccc(-c2noc(C(=O)NCCNC(=O)Cc3ccc(F)cc3)n2)cc1OC ZINC000015082009 556501301 /nfs/dbraw/zinc/50/13/01/556501301.db2.gz GEDQEYOGAVNXAK-UHFFFAOYSA-N 0 0 428.420 1.982 50 0 IDAARN COc1cccc(C(=O)NCCNC(=O)c2nc(Cn3nc(C)c(Cl)c3C)no2)c1 ZINC000015082246 556501717 /nfs/dbraw/zinc/50/17/17/556501717.db2.gz RRQITGNPVCNELS-UHFFFAOYSA-N 0 0 432.868 1.753 50 0 IDAARN C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000013296291 556501739 /nfs/dbraw/zinc/50/17/39/556501739.db2.gz ILHARJDHIPSJBM-AAEUAGOBSA-N 0 0 435.506 1.739 50 0 IDAARN CSCC[C@@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000030672945 556501736 /nfs/dbraw/zinc/50/17/36/556501736.db2.gz SYDLHICQTRSXBH-GOSISDBHSA-N 0 0 436.553 1.556 50 0 IDAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1OC ZINC000013426678 556505923 /nfs/dbraw/zinc/50/59/23/556505923.db2.gz MINOBWAIXJDIQH-SILNSSARSA-N 0 0 439.512 1.923 50 0 IDAARN O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000013465417 556506826 /nfs/dbraw/zinc/50/68/26/556506826.db2.gz JMIDNHNLLUIISU-NRFANRHFSA-N 0 0 439.468 1.381 50 0 IDAARN COc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCOCC1 ZINC000013519147 556512112 /nfs/dbraw/zinc/51/21/12/556512112.db2.gz XIYGEQSMGANKFY-GOSISDBHSA-N 0 0 434.470 1.495 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)cc1C ZINC000013566291 556519116 /nfs/dbraw/zinc/51/91/16/556519116.db2.gz FKQCWLZBGNSHQU-SFHVURJKSA-N 0 0 439.578 1.243 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(NCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl ZINC000032891467 556519273 /nfs/dbraw/zinc/51/92/73/556519273.db2.gz KSDJFRAOTCYITG-ZDUSSCGKSA-N 0 0 437.971 1.086 50 0 IDAARN CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000013566842 556520307 /nfs/dbraw/zinc/52/03/07/556520307.db2.gz CTEJTUMRORORRU-UHFFFAOYSA-N 0 0 433.530 1.693 50 0 IDAARN COc1ccc(C)cc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000013566841 556520321 /nfs/dbraw/zinc/52/03/21/556520321.db2.gz DBSTXQPXEJPWMU-UHFFFAOYSA-N 0 0 447.557 1.647 50 0 IDAARN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc3c(c1)[nH]c(=O)n(CC)c3=O)CC2 ZINC000072295906 556520494 /nfs/dbraw/zinc/52/04/94/556520494.db2.gz YDKGLOYKSAUKLX-UHFFFAOYSA-N 0 0 442.497 1.211 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000013573949 556524499 /nfs/dbraw/zinc/52/44/99/556524499.db2.gz NAKPFXYKFPBXHW-FBKCMUNRSA-N 0 0 438.527 1.767 50 0 IDAARN O=C(CN1CCN(c2ccccn2)CC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000015403653 556524541 /nfs/dbraw/zinc/52/45/41/556524541.db2.gz IDSCCRAXVKGASN-HXUWFJFHSA-N 0 0 428.558 1.420 50 0 IDAARN C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015406940 556524780 /nfs/dbraw/zinc/52/47/80/556524780.db2.gz KHTDJVBQTBMERX-AWEZNQCLSA-N 0 0 434.543 1.428 50 0 IDAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)n1 ZINC000072301577 556525135 /nfs/dbraw/zinc/52/51/35/556525135.db2.gz AFZQCQPMBUTQSC-SCLBCKFNSA-N 0 0 425.489 1.183 50 0 IDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N(C)C)c1)N(C)CC3)OCO2 ZINC000015415341 556526905 /nfs/dbraw/zinc/52/69/05/556526905.db2.gz HPRYQYFPGAOVAT-SFHVURJKSA-N 0 0 436.472 1.679 50 0 biogenic IDAARN CCN(C(=O)Cn1nnc(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000015481677 556530217 /nfs/dbraw/zinc/53/02/17/556530217.db2.gz OJBIOJAVADDFJZ-CYBMUJFWSA-N 0 0 428.312 1.138 50 0 IDAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)ccc2c1 ZINC000013595946 556531996 /nfs/dbraw/zinc/53/19/96/556531996.db2.gz JVOOFUPLYBAULU-SFHVURJKSA-N 0 0 435.480 1.981 50 0 IDAARN CC[C@@H](C)NC(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCc2cccs2)c1=O ZINC000013607300 556533256 /nfs/dbraw/zinc/53/32/56/556533256.db2.gz LULINZQKZURMMW-GFCCVEGCSA-N 0 0 434.543 1.517 50 0 IDAARN NC(=O)C1CCN(C(=O)Cn2c3ccccc3c(=O)n(-c3ccc(Cl)cc3)c2=O)CC1 ZINC000013607460 556533269 /nfs/dbraw/zinc/53/32/69/556533269.db2.gz ZUCFUXUANIWWKI-UHFFFAOYSA-N 0 0 440.887 1.530 50 0 IDAARN O=C(c1ccc2c[nH]nc2c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000032900965 556534978 /nfs/dbraw/zinc/53/49/78/556534978.db2.gz BSAVJMLDNNKMNJ-UHFFFAOYSA-N 0 0 442.497 1.871 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2nc(N)nc(N(C)C)n2)c(C)c1 ZINC000032901729 556537440 /nfs/dbraw/zinc/53/74/40/556537440.db2.gz BKEJHRWQEGUMRU-OAHLLOKOSA-N 0 0 448.549 1.342 50 0 IDAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 ZINC000032903762 556540251 /nfs/dbraw/zinc/54/02/51/556540251.db2.gz SXAOQYXJOAACEC-HNNXBMFYSA-N 0 0 429.564 1.758 50 0 IDAARN COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 ZINC000032579272 556541335 /nfs/dbraw/zinc/54/13/35/556541335.db2.gz CAPVFZQQGKFNBY-CQSZACIVSA-N 0 0 433.534 1.195 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccccc3F)C2)cc1 ZINC000013654368 556545696 /nfs/dbraw/zinc/54/56/96/556545696.db2.gz NZRSWXLOVLWVJW-OAHLLOKOSA-N 0 0 449.504 1.990 50 0 IDAARN O=C(NC[C@@H](CO)Cc1cc(F)ccc1F)C1CCN(c2ccc3nncn3n2)CC1 ZINC000072303110 556547024 /nfs/dbraw/zinc/54/70/24/556547024.db2.gz YNTKYLFCJQTFER-AWEZNQCLSA-N 0 0 430.459 1.586 50 0 IDAARN NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000072302760 556547180 /nfs/dbraw/zinc/54/71/80/556547180.db2.gz CBZNQTRLAWMEQH-UHFFFAOYSA-N 0 0 449.916 1.197 50 0 IDAARN CCOC(=O)CNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1OC ZINC000015767585 556549132 /nfs/dbraw/zinc/54/91/32/556549132.db2.gz ICVYGROUJDBJJO-MHWRWJLKSA-N 0 0 426.425 1.874 50 0 IDAARN Cc1ccc(N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c(C)c1 ZINC000071281611 556557931 /nfs/dbraw/zinc/55/79/31/556557931.db2.gz XNMBSEZWRSMYAK-KRWDZBQOSA-N 0 0 432.546 1.118 50 0 IDAARN C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)CN1CCOCC1 ZINC000072306615 556558405 /nfs/dbraw/zinc/55/84/05/556558405.db2.gz UEMJKBZVKVZLFW-IFXJQAMLSA-N 0 0 440.338 1.001 50 0 IDAARN CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C(=O)NC4CC4)CC3)cn2C)CC1 ZINC000033275175 556559333 /nfs/dbraw/zinc/55/93/33/556559333.db2.gz AKYCTUAPENYGDT-UHFFFAOYSA-N 0 0 436.578 1.577 50 0 IDAARN CC(C)CCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868856 556559703 /nfs/dbraw/zinc/55/97/03/556559703.db2.gz RAEXTXVXOHFVLD-UHFFFAOYSA-N 0 0 438.015 1.612 50 0 IDAARN O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br ZINC000015879993 556560588 /nfs/dbraw/zinc/56/05/88/556560588.db2.gz NTHFLAJGWUVSIW-UHFFFAOYSA-N 0 0 429.292 1.993 50 0 IDAARN Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000015952078 556568883 /nfs/dbraw/zinc/56/88/83/556568883.db2.gz FGFNMSWFLVNEPH-OAHLLOKOSA-N 0 0 432.355 1.906 50 0 IDAARN C[C@H](O)[C@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016010091 556573817 /nfs/dbraw/zinc/57/38/17/556573817.db2.gz PWWIMLJAYVPOBC-RKSLUDBYSA-N 0 0 443.862 1.781 50 0 IDAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016033979 556577129 /nfs/dbraw/zinc/57/71/29/556577129.db2.gz BBRJAESPJYCZMT-ARGWBDOXSA-N 0 0 427.407 1.266 50 0 IDAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000016044967 556579215 /nfs/dbraw/zinc/57/92/15/556579215.db2.gz ZCCJOWYLNYHIAG-QFIPXVFZSA-N 0 0 445.523 1.975 50 0 IDAARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000016056419 556581431 /nfs/dbraw/zinc/58/14/31/556581431.db2.gz OPFDSTNTXFXQQZ-UHFFFAOYSA-N 0 0 427.852 1.126 50 0 IDAARN CC(=O)N1CCC(N(C(=O)COc2ccccc2C(=O)NC[C@H]2CCCO2)C2CC2)CC1 ZINC000016080189 556581902 /nfs/dbraw/zinc/58/19/02/556581902.db2.gz RKQVPBSHEZMTPA-HXUWFJFHSA-N 0 0 443.544 1.976 50 0 IDAARN CC(=O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000032969355 556588789 /nfs/dbraw/zinc/58/87/89/556588789.db2.gz JCCFSDAMGRZOQU-UHFFFAOYSA-N 0 0 438.369 1.164 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036158449 556594386 /nfs/dbraw/zinc/59/43/86/556594386.db2.gz UVTUHAIFKPNGOS-GOSISDBHSA-N 0 0 436.528 1.907 50 0 IDAARN O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)N1CCN(c2ccccn2)CC1 ZINC000016251741 556594651 /nfs/dbraw/zinc/59/46/51/556594651.db2.gz DYLCNZQZZBRMQU-QGZVFWFLSA-N 0 0 426.498 1.777 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000032913633 556594662 /nfs/dbraw/zinc/59/46/62/556594662.db2.gz MKPPRLUNTMJGOS-UHFFFAOYSA-N 0 0 440.525 1.882 50 0 IDAARN Cc1c(NC(=O)c2cccc(NC(=O)C3=NNC(=O)CC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000032973894 556595579 /nfs/dbraw/zinc/59/55/79/556595579.db2.gz KQORELJFFOYCFQ-UHFFFAOYSA-N 0 0 446.467 1.941 50 0 IDAARN NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1nnc(-c2ccco2)o1 ZINC000036646213 556599673 /nfs/dbraw/zinc/59/96/73/556599673.db2.gz PCUDJIIEBIWUIK-UHFFFAOYSA-N 0 0 425.430 1.799 50 0 IDAARN CCOC(=O)[C@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)Cc1ccccc1 ZINC000060269961 556600813 /nfs/dbraw/zinc/60/08/13/556600813.db2.gz NLRAQFXOUSQLMQ-INIZCTEOSA-N 0 0 431.514 1.577 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000032983268 556601611 /nfs/dbraw/zinc/60/16/11/556601611.db2.gz PDXXJEONIXCTIY-HXUWFJFHSA-N 0 0 444.509 1.523 50 0 IDAARN COc1ccc(CC(=O)Nc2nc(C)c(C)s2)cc1S(=O)(=O)N1CCOCC1 ZINC000032983764 556602645 /nfs/dbraw/zinc/60/26/45/556602645.db2.gz RPZWCIWAIKBCMC-UHFFFAOYSA-N 0 0 425.532 1.971 50 0 IDAARN O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCCN1CCOCC1 ZINC000032987712 556607972 /nfs/dbraw/zinc/60/79/72/556607972.db2.gz CFNRTKBDRJJBEC-UHFFFAOYSA-N 0 0 437.497 1.285 50 0 IDAARN CN(CC(=O)NCc1ccco1)C(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O ZINC000032988629 556609021 /nfs/dbraw/zinc/60/90/21/556609021.db2.gz VQZNQIDHZUAYSY-HXUWFJFHSA-N 0 0 430.486 1.358 50 0 IDAARN O=C(CCn1cnc2ccccc2c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000016468779 556609714 /nfs/dbraw/zinc/60/97/14/556609714.db2.gz DPPCEYDCELANNE-UHFFFAOYSA-N 0 0 444.488 1.459 50 0 IDAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000016483846 556611636 /nfs/dbraw/zinc/61/16/36/556611636.db2.gz HCFLSOZLUABRAR-UHFFFAOYSA-N 0 0 431.518 1.488 50 0 IDAARN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OCc2ccccc2)[C@@H]1OC(C)=O ZINC000038263373 556612443 /nfs/dbraw/zinc/61/24/43/556612443.db2.gz SJPSXDYBIIGRQJ-YMQHIKHWSA-N 0 0 438.429 1.286 50 0 IDAARN Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000038469892 556612601 /nfs/dbraw/zinc/61/26/01/556612601.db2.gz QWKYIPKCLAUFCM-SSEXGKCCSA-N 0 0 441.387 1.953 50 0 in-vitro IDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 ZINC000038530862 556613482 /nfs/dbraw/zinc/61/34/82/556613482.db2.gz VAQNJQIGQHHLJE-UHFFFAOYSA-N 0 0 430.534 1.546 50 0 IDAARN COc1cc(CCNC(=O)CN(C)S(=O)(=O)c2cccnc2)ccc1OC(F)F ZINC000032916113 556613541 /nfs/dbraw/zinc/61/35/41/556613541.db2.gz VCNJOBBNEVVFJM-UHFFFAOYSA-N 0 0 429.445 1.671 50 0 IDAARN Cc1nc(-c2ccncc2C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)no1 ZINC000032916151 556613818 /nfs/dbraw/zinc/61/38/18/556613818.db2.gz NGMWECUSMPTBLY-UHFFFAOYSA-N 0 0 432.462 1.192 50 0 IDAARN COc1ccc(-c2ccc(=O)n(CC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000040267377 556634297 /nfs/dbraw/zinc/63/42/97/556634297.db2.gz YLQJJXFKTCCLPO-KRWDZBQOSA-N 0 0 433.530 1.591 50 0 IDAARN CCS(=O)(=O)Nc1ccc(C)n(CC(=O)N2CCN(c3ccccc3OC)CC2)c1=O ZINC000097938454 556634707 /nfs/dbraw/zinc/63/47/07/556634707.db2.gz GMVUEKFGRRILDC-UHFFFAOYSA-N 0 0 448.545 1.276 50 0 IDAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000016753839 556638630 /nfs/dbraw/zinc/63/86/30/556638630.db2.gz BTWSZTVPJLFHEH-ZDUSSCGKSA-N 0 0 443.934 1.363 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)NCCCn2nc(-c3ccncc3)ccc2=O)cc1 ZINC000011746785 556650125 /nfs/dbraw/zinc/65/01/25/556650125.db2.gz RXIGZKLBMLMGHN-UHFFFAOYSA-N 0 0 442.497 1.851 50 0 IDAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000011758050 556652003 /nfs/dbraw/zinc/65/20/03/556652003.db2.gz QRHODTOUFMKECO-UHFFFAOYSA-N 0 0 435.893 1.728 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NC3CCCCC3)nc(-c3ccco3)nc2n(C)c1=O ZINC000011758279 556652540 /nfs/dbraw/zinc/65/25/40/556652540.db2.gz SJJYHRZDMVJYLP-UHFFFAOYSA-N 0 0 429.502 1.828 50 0 IDAARN COCCN(Cc1ccccc1)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000033000130 556654041 /nfs/dbraw/zinc/65/40/41/556654041.db2.gz NSSSXNKIUYVEER-UHFFFAOYSA-N 0 0 438.571 1.987 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)c1 ZINC000017063162 556654922 /nfs/dbraw/zinc/65/49/22/556654922.db2.gz WZOISOXMGYMJEQ-UHFFFAOYSA-N 0 0 429.498 1.744 50 0 IDAARN CCN(CC)C(=O)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032925695 556654940 /nfs/dbraw/zinc/65/49/40/556654940.db2.gz PRPYYNUKHJQAJH-ZDUSSCGKSA-N 0 0 431.942 1.348 50 0 IDAARN Cn1c2c(cc(C(=O)NCC(=O)c3ccccc3)n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000011845111 556660806 /nfs/dbraw/zinc/66/08/06/556660806.db2.gz HWZHUYGYUPBCBS-UHFFFAOYSA-N 0 0 430.464 1.700 50 0 IDAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000017098830 556663800 /nfs/dbraw/zinc/66/38/00/556663800.db2.gz ZNCGMBGTAHWQFB-UHFFFAOYSA-N 0 0 434.493 1.842 50 0 IDAARN CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3NC=C[C@@]3(O)C(F)(F)F)C2)c(C)n1 ZINC000017101268 556665973 /nfs/dbraw/zinc/66/59/73/556665973.db2.gz VPJSUTRZBAGHIW-SWLSCSKDSA-N 0 0 437.444 1.081 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)cc1 ZINC000017167793 556671096 /nfs/dbraw/zinc/67/10/96/556671096.db2.gz VDLXPXWNEKDKAP-MRXNPFEDSA-N 0 0 430.530 1.781 50 0 IDAARN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1NC(C)=O ZINC000017333510 556675932 /nfs/dbraw/zinc/67/59/32/556675932.db2.gz UFKRMQILWLNGHY-UHFFFAOYSA-N 0 0 433.530 1.964 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Nc4ccccc4)CC3)cc2NC1=O ZINC000033021669 556686625 /nfs/dbraw/zinc/68/66/25/556686625.db2.gz BBGFARQBFCGHGK-CQSZACIVSA-N 0 0 430.486 1.944 50 0 IDAARN COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)C2=O)cc1 ZINC000018265565 556688842 /nfs/dbraw/zinc/68/88/42/556688842.db2.gz ORRXDXJQSZTCHS-FQEVSTJZSA-N 0 0 443.525 1.553 50 0 IDAARN CS(=O)(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000018271310 556688866 /nfs/dbraw/zinc/68/88/66/556688866.db2.gz MVSOFZRFJKPUMN-LJQANCHMSA-N 0 0 431.489 1.683 50 0 IDAARN Cn1c(Sc2nnc(NC(=O)c3cccc(F)c3)s2)nc2c1c(=O)n(C)c(=O)n2C ZINC000045966988 556688988 /nfs/dbraw/zinc/68/89/88/556688988.db2.gz XTRRSXGVIURFSZ-UHFFFAOYSA-N 0 0 447.477 1.365 50 0 IDAARN CC(C)CN1C[C@@H]2CN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)CCN2C1=O ZINC000252539877 556692294 /nfs/dbraw/zinc/69/22/94/556692294.db2.gz OPNHFHHBIOCXAA-SAHWJRBASA-N 0 0 447.580 1.728 50 0 IDAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000013548347 556696610 /nfs/dbraw/zinc/69/66/10/556696610.db2.gz GNXSDTZKJJOENM-IEBWSBKVSA-N 0 0 429.542 1.908 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)N1CCN(C(=O)N[C@H](C(=O)OC)[C@H](C)CC)CC1)C(=O)OC ZINC000013575971 556698327 /nfs/dbraw/zinc/69/83/27/556698327.db2.gz GCNHBHXKPVRWGP-WCVJEAGWSA-N 0 0 428.530 1.199 50 0 IDAARN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000033027013 556704071 /nfs/dbraw/zinc/70/40/71/556704071.db2.gz PUKXSSUZOZJERL-YMXMSLLWSA-N 0 0 433.574 1.714 50 0 IDAARN CCCc1ccc(S(=O)(=O)N2CCN([C@]3(CC)CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000065292219 556707124 /nfs/dbraw/zinc/70/71/24/556707124.db2.gz HBZWDIPJNZCPFK-HXUWFJFHSA-N 0 0 443.635 1.760 50 0 IDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(C)cc2)cc1OC ZINC000019210507 556708867 /nfs/dbraw/zinc/70/88/67/556708867.db2.gz KUXAMKIFXHZGIP-UHFFFAOYSA-N 0 0 447.557 1.982 50 0 IDAARN Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000013691643 556711607 /nfs/dbraw/zinc/71/16/07/556711607.db2.gz ZUCFXFUGGHQVNO-JCYILVPMSA-N 0 0 428.576 1.383 50 0 IDAARN COc1ccc(F)c(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000019220850 556715113 /nfs/dbraw/zinc/71/51/13/556715113.db2.gz BACFPSIJHDFYFN-SFHVURJKSA-N 0 0 425.530 1.730 50 0 IDAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NC[C@@H]1CCCO1 ZINC000061720345 556727692 /nfs/dbraw/zinc/72/76/92/556727692.db2.gz NAUZVNBJTNKFQV-SFHVURJKSA-N 0 0 431.924 1.519 50 0 IDAARN COc1cccc(-c2nc(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cs2)c1 ZINC000061722045 556730290 /nfs/dbraw/zinc/73/02/90/556730290.db2.gz VWFAJEHYCVPIKF-KRWDZBQOSA-N 0 0 435.571 1.693 50 0 IDAARN Cn1c2ncn(CCCC(=O)Nc3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2c(=O)n(C)c1=O ZINC000078729470 556735302 /nfs/dbraw/zinc/73/53/02/556735302.db2.gz GNEITSDNAHVASN-UHFFFAOYSA-N 0 0 448.487 1.515 50 0 IDAARN CNS(=O)(=O)c1cc(NC(=O)CSc2nnc(-c3ccoc3C)n2N)ccc1C ZINC000019315543 556735852 /nfs/dbraw/zinc/73/58/52/556735852.db2.gz TZECIETUKLADSQ-UHFFFAOYSA-N 0 0 436.519 1.508 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3n[nH]nc3c1)n2C ZINC000079021380 556737704 /nfs/dbraw/zinc/73/77/04/556737704.db2.gz DZYCDCCOSMCPIK-UHFFFAOYSA-N 0 0 427.490 1.666 50 0 IDAARN CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000079216467 556738444 /nfs/dbraw/zinc/73/84/44/556738444.db2.gz NIVGLXXJIRMIAK-HOTGVXAUSA-N 0 0 443.500 1.729 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCCn2nc(-c3ccco3)ccc2=O)cc1 ZINC000013797645 556741649 /nfs/dbraw/zinc/74/16/49/556741649.db2.gz SFFANZGKWYHHMI-UHFFFAOYSA-N 0 0 430.486 1.574 50 0 IDAARN O=C(CNC(=O)COC(=O)CCn1c(=O)oc2ccccc21)Nc1ccc(F)c(F)c1 ZINC000019355579 556745150 /nfs/dbraw/zinc/74/51/50/556745150.db2.gz JQKHZCZBQADRRR-UHFFFAOYSA-N 0 0 433.367 1.561 50 0 IDAARN O=CN[C@H](N1CCN([C@H](NC=O)C(Cl)(Cl)Cl)CC1)C(Cl)(Cl)Cl ZINC000019364239 556746002 /nfs/dbraw/zinc/74/60/02/556746002.db2.gz RROQIUMZODEXOR-OCAPTIKFSA-N 0 0 434.966 1.489 50 0 in-vitro IDAARN CCc1ccccc1-n1c(SCC(=O)NCCCC(=O)OC)nnc1N1CCOCC1 ZINC000019370306 556747712 /nfs/dbraw/zinc/74/77/12/556747712.db2.gz DRVHEJNAVLVQGO-UHFFFAOYSA-N 0 0 447.561 1.828 50 0 IDAARN O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(CCc2ccncc2)CC1 ZINC000206237004 556748616 /nfs/dbraw/zinc/74/86/16/556748616.db2.gz HIAIKYRZDCHHAF-OAQYLSRUSA-N 0 0 435.528 1.322 50 0 IDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000019372082 556748834 /nfs/dbraw/zinc/74/88/34/556748834.db2.gz OXLZTXPTZVIAKO-UHFFFAOYSA-N 0 0 429.542 1.666 50 0 IDAARN CC1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1=O ZINC000057995748 556751673 /nfs/dbraw/zinc/75/16/73/556751673.db2.gz LUBMVKHSMACLBJ-UHFFFAOYSA-N 0 0 444.351 1.498 50 0 IDAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccn(CC(N)=O)n3)ccc2Cl)C1 ZINC000057997242 556751888 /nfs/dbraw/zinc/75/18/88/556751888.db2.gz OUGRFYFOQWIOFI-LBPRGKRZSA-N 0 0 439.925 1.695 50 0 IDAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)Nc3ccn(CC(N)=O)n3)ccc2Cl)C1 ZINC000057997238 556751911 /nfs/dbraw/zinc/75/19/11/556751911.db2.gz OUGRFYFOQWIOFI-GFCCVEGCSA-N 0 0 439.925 1.695 50 0 IDAARN O=C(Nc1ccc(N2CCCC2)nc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000058004081 556752351 /nfs/dbraw/zinc/75/23/51/556752351.db2.gz UYYYDRMLLBJXFF-UHFFFAOYSA-N 0 0 436.582 1.952 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOCC3CC3)CC2)o1 ZINC000058004150 556752381 /nfs/dbraw/zinc/75/23/81/556752381.db2.gz ATBFECQFCCRIIN-UHFFFAOYSA-N 0 0 442.534 1.790 50 0 IDAARN CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(C(N)=O)cc1 ZINC000058010417 556753116 /nfs/dbraw/zinc/75/31/16/556753116.db2.gz NDGNBVRJCZJYFD-UHFFFAOYSA-N 0 0 426.498 1.609 50 0 IDAARN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000058010544 556753138 /nfs/dbraw/zinc/75/31/38/556753138.db2.gz PSJXORXVIJHDJA-MRXNPFEDSA-N 0 0 442.417 1.822 50 0 IDAARN O=C(Cn1cnc2nc(N3CCOCC3)ncc2c1=O)NCc1ccc(F)c(Cl)c1 ZINC000062006743 556764930 /nfs/dbraw/zinc/76/49/30/556764930.db2.gz JCLXCDOVQZPUQA-UHFFFAOYSA-N 0 0 432.843 1.132 50 0 IDAARN Cc1ccc(N2CC[C@H](C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)cc1C ZINC000058162036 556765744 /nfs/dbraw/zinc/76/57/44/556765744.db2.gz YZHSELVGBSVPHN-ZHALLVOQSA-N 0 0 437.562 1.212 50 0 IDAARN Cc1ccc(N2CC[C@@H](C(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)C2=O)cc1C ZINC000058162035 556765802 /nfs/dbraw/zinc/76/58/02/556765802.db2.gz YZHSELVGBSVPHN-SCTDSRPQSA-N 0 0 437.562 1.212 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)o2)CC1 ZINC000062022965 556766476 /nfs/dbraw/zinc/76/64/76/556766476.db2.gz AMMFKNZUFWBKGU-AWEZNQCLSA-N 0 0 433.490 1.200 50 0 IDAARN CNS(=O)(=O)c1cc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc(C)c1C ZINC000058209329 556771953 /nfs/dbraw/zinc/77/19/53/556771953.db2.gz DOCWJTKZQDXEBV-UHFFFAOYSA-N 0 0 447.561 1.227 50 0 IDAARN COc1cc(C(=O)Nc2c(C)nn(C)c2-n2cncn2)ccc1OCC(=O)NC(C)C ZINC000058268140 556776917 /nfs/dbraw/zinc/77/69/17/556776917.db2.gz FHRQQLTWPZLPAP-UHFFFAOYSA-N 0 0 427.465 1.474 50 0 IDAARN CC(C)C(=O)Nc1cccc(NC(=O)NCC(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000058315311 556780421 /nfs/dbraw/zinc/78/04/21/556780421.db2.gz FZXDGIXPHAAWGK-UHFFFAOYSA-N 0 0 425.493 1.541 50 0 IDAARN COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)c3nnc4n3CCC4)CC2=O)cc1OC ZINC000058329534 556781246 /nfs/dbraw/zinc/78/12/46/556781246.db2.gz RTRBNMNTYDMHQH-GDBMZVCRSA-N 0 0 427.505 1.510 50 0 IDAARN COc1ccc(S(=O)(=O)NCCN(C2CC2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000058368134 556783106 /nfs/dbraw/zinc/78/31/06/556783106.db2.gz UGYBBOXPHJQRLC-UHFFFAOYSA-N 0 0 440.543 1.835 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000058393805 556785077 /nfs/dbraw/zinc/78/50/77/556785077.db2.gz YMESIZRFBCLBFO-UHFFFAOYSA-N 0 0 443.529 1.137 50 0 IDAARN CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)C1 ZINC000058439220 556788605 /nfs/dbraw/zinc/78/86/05/556788605.db2.gz NVXVJDOQBGWKSB-CQSZACIVSA-N 0 0 429.974 1.910 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000059362866 556798814 /nfs/dbraw/zinc/79/88/14/556798814.db2.gz NIITZZRDCPYPOJ-UHFFFAOYSA-N 0 0 441.557 1.537 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)C[C@H](C[NH+]2CCN(c3ccccn3)CC2)C(=O)[O-])c1 ZINC000072401666 556800937 /nfs/dbraw/zinc/80/09/37/556800937.db2.gz QWCBWDIYFCTXLV-QGZVFWFLSA-N 0 0 425.489 1.892 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)N1CCOCC1 ZINC000059765859 556804458 /nfs/dbraw/zinc/80/44/58/556804458.db2.gz JZODYWPXFHOMSS-UHFFFAOYSA-N 0 0 429.498 1.625 50 0 IDAARN CCNC(=O)CN(CC)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000059875055 556805320 /nfs/dbraw/zinc/80/53/20/556805320.db2.gz JYBUAUPKSAELCI-KRWDZBQOSA-N 0 0 435.571 1.848 50 0 IDAARN O=C(OC[C@@H]1O[C@@H]2[C@H](Oc3nc(=O)ccn32)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000034255643 556812350 /nfs/dbraw/zinc/81/23/50/556812350.db2.gz WLLCZAIADALVGH-MTFMMBMASA-N 0 0 434.404 1.984 50 0 IDAARN O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)OCC(=O)N1CCCC1=O ZINC000060385272 556816185 /nfs/dbraw/zinc/81/61/85/556816185.db2.gz TZGBJYGGVKJUGQ-UHFFFAOYSA-N 0 0 442.799 1.329 50 0 IDAARN COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000003557228 556817732 /nfs/dbraw/zinc/81/77/32/556817732.db2.gz REXUDRBLJOFTQY-UHFFFAOYSA-N 0 0 432.498 1.542 50 0 IDAARN O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000096503678 556822046 /nfs/dbraw/zinc/82/20/46/556822046.db2.gz DZFNEMZTLCGBJH-UHFFFAOYSA-N 0 0 439.969 1.805 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)NCCn3nc(-c4cccnc4)n(C4CC4)c3=O)CC2=O)cc1 ZINC000206637742 556823287 /nfs/dbraw/zinc/82/32/87/556823287.db2.gz ZKBCERZLFQVDQE-SFHVURJKSA-N 0 0 446.511 1.919 50 0 IDAARN COC(=O)c1ccccc1NC(=O)C[C@@H](C[NH+]1CCN(Cc2cccnc2)CC1)C(=O)[O-] ZINC000072403439 556823355 /nfs/dbraw/zinc/82/33/55/556823355.db2.gz VQALZEFBAJQSMB-SFHVURJKSA-N 0 0 440.500 1.715 50 0 IDAARN CN1CCN(C(=O)Cn2c3ccccc3n(Cc3ccc(Cl)cc3)c(=O)c2=O)CC1 ZINC000033068519 556823411 /nfs/dbraw/zinc/82/34/11/556823411.db2.gz OHYWRINNAJZGSD-UHFFFAOYSA-N 0 0 426.904 1.639 50 0 IDAARN O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NCCc1c[nH]cn1 ZINC000033068544 556824418 /nfs/dbraw/zinc/82/44/18/556824418.db2.gz QNEOASLVIBTEQG-UHFFFAOYSA-N 0 0 437.887 1.947 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCC4CCOCC4)CC3)CC2=O)cc1 ZINC000072403724 556827813 /nfs/dbraw/zinc/82/78/13/556827813.db2.gz FAJAVZCZJZRECX-LJQANCHMSA-N 0 0 443.544 1.830 50 0 IDAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000064893388 556828460 /nfs/dbraw/zinc/82/84/60/556828460.db2.gz DUOMPLQWNQOWRP-UHFFFAOYSA-N 0 0 445.545 1.670 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)c1 ZINC000064893350 556828494 /nfs/dbraw/zinc/82/84/94/556828494.db2.gz YTAFHTGKJUSLFY-UHFFFAOYSA-N 0 0 434.518 1.420 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1OC ZINC000064893352 556828509 /nfs/dbraw/zinc/82/85/09/556828509.db2.gz FCVANFDYFRWGMT-UHFFFAOYSA-N 0 0 434.518 1.420 50 0 IDAARN CCCc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)cc1 ZINC000064893392 556828540 /nfs/dbraw/zinc/82/85/40/556828540.db2.gz JLCTVOTUDIHKAP-UHFFFAOYSA-N 0 0 432.546 1.592 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)cc1 ZINC000064893738 556828595 /nfs/dbraw/zinc/82/85/95/556828595.db2.gz XUNQYQRXVRDSSC-UHFFFAOYSA-N 0 0 441.488 1.659 50 0 IDAARN COc1ccc(OC)c(NC(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)c1 ZINC000064893716 556828666 /nfs/dbraw/zinc/82/86/66/556828666.db2.gz ZIWZCQFWKGUYES-UHFFFAOYSA-N 0 0 429.477 1.500 50 0 IDAARN COC[C@@H](CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)OC(=O)c1ccccc1 ZINC000019638428 556836382 /nfs/dbraw/zinc/83/63/82/556836382.db2.gz BEYGRJFMKKXYLN-GOSISDBHSA-N 0 0 443.525 1.625 50 0 IDAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000019647267 556840830 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NC(=O)c1ccc(C(F)(F)F)n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O ZINC000024111314 557137677 /nfs/dbraw/zinc/13/76/77/557137677.db2.gz PVTJGXXWNOZPRF-UHFFFAOYSA-N 0 0 426.370 1.454 50 0 IDAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1nn2c(nc(C)cc2=O)s1 ZINC000024215867 557141484 /nfs/dbraw/zinc/14/14/84/557141484.db2.gz GXJLJOMSCIDOSW-HXUWFJFHSA-N 0 0 449.540 1.935 50 0 IDAARN COC(=O)[C@H](C)[C@@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(=O)N1CCOCC1 ZINC000004302011 557141909 /nfs/dbraw/zinc/14/19/09/557141909.db2.gz BGMDJXVXRCLPGC-VCTAVGKDSA-N 0 0 426.263 1.736 50 0 IDAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCOCC1)n(C[C@H]1CCCO1)c2=O ZINC000024789113 557142254 /nfs/dbraw/zinc/14/22/54/557142254.db2.gz LOTSSRNYQDDBAW-OAHLLOKOSA-N 0 0 447.513 1.313 50 0 IDAARN CCNC(=O)[C@@H](C)NC(=O)c1cccc(NC(=O)Cc2sc(N(CC)CC)nc2O)c1 ZINC000011409551 557142558 /nfs/dbraw/zinc/14/25/58/557142558.db2.gz VDKLGKMNDMPXNF-CJNGLKHVSA-N 0 0 447.561 1.609 50 0 IDAARN O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000024345726 557144782 /nfs/dbraw/zinc/14/47/82/557144782.db2.gz QTQFZYQBCDDLMS-MRXNPFEDSA-N 0 0 432.564 1.335 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1C ZINC000024497730 557148666 /nfs/dbraw/zinc/14/86/66/557148666.db2.gz QWJRQKWNMUDYCU-UHFFFAOYSA-N 0 0 432.528 1.903 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(Cn3ncc4ccccc4c3=O)CC2)cc1 ZINC000024527690 557150019 /nfs/dbraw/zinc/15/00/19/557150019.db2.gz UNFBCRGWTHXJJQ-UHFFFAOYSA-N 0 0 428.514 1.759 50 0 IDAARN CCn1c2ccccc2n(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1=O ZINC000011452139 557150441 /nfs/dbraw/zinc/15/04/41/557150441.db2.gz WHRLDNTZEKSSPX-UHFFFAOYSA-N 0 0 448.570 1.854 50 0 IDAARN CC(=O)NCCc1nc2ccc(NC(=O)Cn3nc(C)c4ccccc4c3=O)cc2n1C ZINC000016400981 557151287 /nfs/dbraw/zinc/15/12/87/557151287.db2.gz OAORCEMKHARDBM-UHFFFAOYSA-N 0 0 432.484 1.909 50 0 IDAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O)OCc1ccccc1 ZINC000072290898 557153811 /nfs/dbraw/zinc/15/38/11/557153811.db2.gz WBFPLCBVKNLGCL-WZONZLPQSA-N 0 0 436.468 1.335 50 0 IDAARN CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC000024609703 557154507 /nfs/dbraw/zinc/15/45/07/557154507.db2.gz VTEKZRYNDDHASK-UHFFFAOYSA-N 0 0 441.525 1.668 50 0 IDAARN Nc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000024630991 557156674 /nfs/dbraw/zinc/15/66/74/557156674.db2.gz LXJZOYYDUUUZLT-UHFFFAOYSA-N 0 0 438.893 1.007 50 0 IDAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000024683866 557158808 /nfs/dbraw/zinc/15/88/08/557158808.db2.gz WFXXIFKYZSGXMX-QPJJXVBHSA-N 0 0 444.557 1.507 50 0 IDAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206904225 557165949 /nfs/dbraw/zinc/16/59/49/557165949.db2.gz ZABUPSRYAWPIMA-UHFFFAOYSA-N 0 0 433.394 1.804 50 0 IDAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206910986 557166648 /nfs/dbraw/zinc/16/66/48/557166648.db2.gz DIPSUDVOUDPEAV-UHFFFAOYSA-N 0 0 429.506 1.194 50 0 IDAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206911110 557166717 /nfs/dbraw/zinc/16/67/17/557166717.db2.gz OYPTYVWRMLVNPG-UHFFFAOYSA-N 0 0 439.423 1.587 50 0 IDAARN Nc1cc(CCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)nn1-c1ccccc1 ZINC000024788373 557167815 /nfs/dbraw/zinc/16/78/15/557167815.db2.gz FVPMJGAHPNKUKR-UHFFFAOYSA-N 0 0 426.502 1.001 50 0 IDAARN O=C(NCCN1CCN(S(=O)(=O)c2ccccc2Br)CC1)c1ccco1 ZINC000024838948 557167997 /nfs/dbraw/zinc/16/79/97/557167997.db2.gz WJJXXHXSLTVTKF-UHFFFAOYSA-N 0 0 442.335 1.778 50 0 IDAARN CCCn1c(C(=O)N2CC[C@H](Oc3cc(C)oc(=O)c3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000206965460 557168125 /nfs/dbraw/zinc/16/81/25/557168125.db2.gz WRMYWAKKCZWOKE-AWEZNQCLSA-N 0 0 442.472 1.004 50 0 IDAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000024840835 557173315 /nfs/dbraw/zinc/17/33/15/557173315.db2.gz MVFGDLKNCRKXLH-NVXWUHKLSA-N 0 0 440.518 1.019 50 0 IDAARN COc1cc(/C=C/C(=O)OCC(=O)N2CCNC2=O)ccc1OCc1c(C)noc1C ZINC000024919820 557178787 /nfs/dbraw/zinc/17/87/87/557178787.db2.gz HYZKYDCSPZHNCS-FNORWQNLSA-N 0 0 429.429 1.987 50 0 IDAARN O=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000011556085 557183998 /nfs/dbraw/zinc/18/39/98/557183998.db2.gz SKHSIPUATZMSQE-UHFFFAOYSA-N 0 0 440.525 1.866 50 0 IDAARN CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000024985354 557186119 /nfs/dbraw/zinc/18/61/19/557186119.db2.gz NXCBMQBUNMDVLW-NRFANRHFSA-N 0 0 431.496 1.729 50 0 IDAARN O=S1(=O)CC[C@@H](N(Cc2cccs2)Cn2nnn(C[C@@H]3CCCO3)c2=S)C1 ZINC000024988828 557187042 /nfs/dbraw/zinc/18/70/42/557187042.db2.gz ZEVGJXSGUSQAAU-KGLIPLIRSA-N 0 0 429.593 1.696 50 0 IDAARN Nc1c(N(CC(=O)N2CCCCC2)C[C@@H]2CCCO2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000024991901 557188019 /nfs/dbraw/zinc/18/80/19/557188019.db2.gz JCLVSNXMHMOAAR-SFHVURJKSA-N 0 0 441.532 1.165 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1C(N)=O ZINC000025050409 557191256 /nfs/dbraw/zinc/19/12/56/557191256.db2.gz KYUUAADARZVVNJ-UHFFFAOYSA-N 0 0 444.557 1.716 50 0 IDAARN CC(C)C(=O)NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000025083383 557194859 /nfs/dbraw/zinc/19/48/59/557194859.db2.gz LLDCKYPYXLJBCR-OAHLLOKOSA-N 0 0 446.367 1.491 50 0 IDAARN O=C(CNc1c(=O)c(=O)c1N1CCN(c2ccc(Cl)cc2)CC1)NCc1ccco1 ZINC000218357394 557195086 /nfs/dbraw/zinc/19/50/86/557195086.db2.gz JRGXRFFJPOIGKT-UHFFFAOYSA-N 0 0 428.876 1.584 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000100876579 557195147 /nfs/dbraw/zinc/19/51/47/557195147.db2.gz GZBBCQICGAEBLS-JZJYNLBNSA-N 0 0 439.902 1.918 50 0 IDAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)CN1C(=O)c2ccccc2C1=O ZINC000100877034 557195344 /nfs/dbraw/zinc/19/53/44/557195344.db2.gz HVTUCUYVSPXUPZ-DQRAZIAOSA-N 0 0 439.449 1.608 50 0 IDAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O ZINC000011583934 557204663 /nfs/dbraw/zinc/20/46/63/557204663.db2.gz UTDFQUARVNHCHZ-IBGZPJMESA-N 0 0 437.424 1.774 50 0 IDAARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CCN1C(=O)c2ccccc2S1(=O)=O ZINC000011591226 557206517 /nfs/dbraw/zinc/20/65/17/557206517.db2.gz BLPGBNKAKCRQNU-FQEVSTJZSA-N 0 0 427.438 1.061 50 0 IDAARN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000025404607 557208603 /nfs/dbraw/zinc/20/86/03/557208603.db2.gz YIQLDXQBKAAOHW-JXFKEZNVSA-N 0 0 444.532 1.518 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)NCCCc3ccccc3)c(=O)n3c2CCCC3)no1 ZINC000169763861 557211315 /nfs/dbraw/zinc/21/13/15/557211315.db2.gz FHHXRJPEHXGVQF-UHFFFAOYSA-N 0 0 437.500 1.708 50 0 IDAARN CCc1nc(-c2c(=O)n(CC(=O)NCc3ccc(F)cc3)c(=O)n3c2CCCC3)no1 ZINC000169779929 557212247 /nfs/dbraw/zinc/21/22/47/557212247.db2.gz ZWBKPQIBABHJDI-UHFFFAOYSA-N 0 0 427.436 1.414 50 0 IDAARN COc1ccc(N2C(=O)C[C@@H](N(O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)C2=O)cc1 ZINC000101026742 557214143 /nfs/dbraw/zinc/21/41/43/557214143.db2.gz CXHAMAQTOXEWAJ-HDICACEKSA-N 0 0 439.424 1.359 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 ZINC000025748829 557224272 /nfs/dbraw/zinc/22/42/72/557224272.db2.gz RQLMFRGGZQMRQF-UHFFFAOYSA-N 0 0 438.575 1.623 50 0 IDAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NCCc1ccccc1 ZINC000010734482 557224334 /nfs/dbraw/zinc/22/43/34/557224334.db2.gz YAZCJVSJCHGEDI-UHFFFAOYSA-N 0 0 432.498 1.223 50 0 IDAARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000010717359 557224351 /nfs/dbraw/zinc/22/43/51/557224351.db2.gz QCRAGZIJHIKRCE-UHFFFAOYSA-N 0 0 448.453 1.232 50 0 IDAARN Cc1ccccc1C(=O)OCC(=O)N1CCN(C(=O)COC(=O)c2ccccc2C)CC1 ZINC000010862157 557224686 /nfs/dbraw/zinc/22/46/86/557224686.db2.gz UWKOPWJUDMIEOR-UHFFFAOYSA-N 0 0 438.480 1.988 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CCOc3ccccc3)cc2)CC1 ZINC000018072961 557235342 /nfs/dbraw/zinc/23/53/42/557235342.db2.gz FZRXQSQJQRWYIO-UHFFFAOYSA-N 0 0 445.541 1.690 50 0 IDAARN CCOc1ccc(NC(=O)Cn2c(=O)c(C(=O)OC)nn(-c3ccc(C)cc3)c2=O)cc1 ZINC000098212070 557235467 /nfs/dbraw/zinc/23/54/67/557235467.db2.gz HFXPJWUQPADURF-UHFFFAOYSA-N 0 0 438.440 1.527 50 0 IDAARN Cc1cccc(CN2CCn3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)nc3C2=O)c1 ZINC000098213156 557236315 /nfs/dbraw/zinc/23/63/15/557236315.db2.gz PNHPIJLYLPSZGQ-UHFFFAOYSA-N 0 0 439.903 1.979 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)s1 ZINC000026149353 557236459 /nfs/dbraw/zinc/23/64/59/557236459.db2.gz TWGFFBATZQFPFW-UHFFFAOYSA-N 0 0 438.579 1.600 50 0 IDAARN O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)N[C@H]1CCc2ccccc21 ZINC000098213211 557236580 /nfs/dbraw/zinc/23/65/80/557236580.db2.gz ZFNVBLMEUVLTME-IBGZPJMESA-N 0 0 435.459 1.644 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(F)c2)C3=O)cc1 ZINC000098213181 557236641 /nfs/dbraw/zinc/23/66/41/557236641.db2.gz TZJNCABBTCUXHW-UHFFFAOYSA-N 0 0 425.420 1.487 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000026193058 557237056 /nfs/dbraw/zinc/23/70/56/557237056.db2.gz PZGJPQWJNSCNRW-HZPDHXFCSA-N 0 0 428.530 1.126 50 0 IDAARN CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)CCCc1nnc2cccnn21 ZINC000604405937 557239223 /nfs/dbraw/zinc/23/92/23/557239223.db2.gz UJYJQKPHGSNIJV-INIZCTEOSA-N 0 0 438.488 1.164 50 0 biogenic IDAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000069951465 557239379 /nfs/dbraw/zinc/23/93/79/557239379.db2.gz BUQNMFORHCPSJC-UHFFFAOYSA-N 0 0 447.495 1.615 50 0 IDAARN CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)[C@H](C)N1Cc2ccccc2C1=O ZINC000604406373 557239877 /nfs/dbraw/zinc/23/98/77/557239877.db2.gz SSKVAUMUZWCCHB-LIRRHRJNSA-N 0 0 437.496 1.748 50 0 biogenic IDAARN CN1CCc2c(CNC(=O)c3cncc(Br)c3)c3c(c(O)c2C1=O)OCO3 ZINC000604405231 557248704 /nfs/dbraw/zinc/24/87/04/557248704.db2.gz OCVSSTGMCUGPOT-UHFFFAOYSA-N 0 0 434.246 1.837 50 0 biogenic IDAARN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc3c(c2)OCO3)c1 ZINC000026912294 557250824 /nfs/dbraw/zinc/25/08/24/557250824.db2.gz MUVXOBXEVGWIPH-UHFFFAOYSA-N 0 0 440.905 1.966 50 0 IDAARN COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1 ZINC000000813701 557255092 /nfs/dbraw/zinc/25/50/92/557255092.db2.gz XOSOYTWORZPHCA-UHFFFAOYSA-N 0 0 444.513 1.898 50 0 IDAARN CCOC(=O)C1=C(CN2CCC[C@@H]2C(=O)NCc2ccco2)NC(=O)N[C@@H]1c1ccco1 ZINC000027143539 557257804 /nfs/dbraw/zinc/25/78/04/557257804.db2.gz KKZZSMQOEQDIOB-VQIMIIECSA-N 0 0 442.472 1.825 50 0 IDAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000027556880 557265522 /nfs/dbraw/zinc/26/55/22/557265522.db2.gz KSAFAPBKVHXODZ-HNNXBMFYSA-N 0 0 432.521 1.573 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000000823409 557269204 /nfs/dbraw/zinc/26/92/04/557269204.db2.gz GMHYNAOFGRHEHB-FCMAGTKHSA-N 0 0 437.445 1.490 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CC(C)C)NC(N)=O)CC2)cc1 ZINC000008380604 557270353 /nfs/dbraw/zinc/27/03/53/557270353.db2.gz YLRPZMSBWRNHBI-KRWDZBQOSA-N 0 0 426.539 1.001 50 0 IDAARN C[C@H]1c2cc(NC(=O)C(=O)NC[C@H](O)c3ccc4c(c3)CCO4)cc3c2N(CCC3)C1=O ZINC000101326196 557273678 /nfs/dbraw/zinc/27/36/78/557273678.db2.gz DUFCGTNFYFJYME-DJJJIMSYSA-N 0 0 435.480 1.806 50 0 IDAARN COC(=O)Cn1c2ccc(Cl)cc2s/c1=N\C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000101345250 557279555 /nfs/dbraw/zinc/27/95/55/557279555.db2.gz BYRPHMNUKDOQNL-UJLXTZEKSA-N 0 0 445.950 1.628 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 ZINC000100987946 557280819 /nfs/dbraw/zinc/28/08/19/557280819.db2.gz BEWMJAHFWGNBPA-QGZVFWFLSA-N 0 0 425.441 1.546 50 0 IDAARN O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000101374573 557280937 /nfs/dbraw/zinc/28/09/37/557280937.db2.gz YRRZOAXMZNQRFR-GOSISDBHSA-N 0 0 439.578 1.026 50 0 IDAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000101395652 557283398 /nfs/dbraw/zinc/28/33/98/557283398.db2.gz MKYIOBGSZDLCBX-IRXDYDNUSA-N 0 0 444.513 1.437 50 0 IDAARN CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NCc2cn(C)nc2C)C1=O ZINC000101455918 557286393 /nfs/dbraw/zinc/28/63/93/557286393.db2.gz RKJFBUGRVLPEOQ-OAHLLOKOSA-N 0 0 434.294 1.331 50 0 IDAARN Cc1ccc(S(=O)(=O)NN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000101579664 557291617 /nfs/dbraw/zinc/29/16/17/557291617.db2.gz JOIKXMCUWSZGLA-OAHLLOKOSA-N 0 0 438.303 1.873 50 0 IDAARN CN1CCN(CCCNc2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000101703809 557294243 /nfs/dbraw/zinc/29/42/43/557294243.db2.gz BNSLJZAGVNVMMD-UHFFFAOYSA-N 0 0 431.968 1.312 50 0 IDAARN O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Nc1ccc2c(c1)OCO2 ZINC000013117608 557296424 /nfs/dbraw/zinc/29/64/24/557296424.db2.gz FRTFGNVEVLMZAK-FQEVSTJZSA-N 0 0 425.441 1.338 50 0 IDAARN CCOc1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc(Br)c1OC ZINC000014122056 557306263 /nfs/dbraw/zinc/30/62/63/557306263.db2.gz DVADYYGEQWWBIH-UHFFFAOYSA-N 0 0 428.327 1.702 50 0 IDAARN O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(=O)NC1CC1 ZINC000102129981 557313366 /nfs/dbraw/zinc/31/33/66/557313366.db2.gz HYBYIMHLJHYVNK-IYBDPMFKSA-N 0 0 439.468 1.402 50 0 IDAARN Cc1csc(CC(=O)N2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)CC2)n1 ZINC000014170640 557313468 /nfs/dbraw/zinc/31/34/68/557313468.db2.gz CDDSVRIPTUIQMV-UHFFFAOYSA-N 0 0 427.534 1.352 50 0 IDAARN O=C(COC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCCc1cccs1 ZINC000023327834 557313596 /nfs/dbraw/zinc/31/35/96/557313596.db2.gz OBTOOZVYISTSJG-QFIPXVFZSA-N 0 0 441.509 1.734 50 0 IDAARN CCN1CCN(S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2OC)CC1 ZINC000102290327 557315805 /nfs/dbraw/zinc/31/58/05/557315805.db2.gz VSEAMJWXRRPSKH-HDICACEKSA-N 0 0 449.573 1.697 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3nc4cccnc4n(CC)c3=O)C2)CC1 ZINC000033259354 557329714 /nfs/dbraw/zinc/32/97/14/557329714.db2.gz UANBCQRYPRVVAR-QGZVFWFLSA-N 0 0 441.532 1.830 50 0 IDAARN COc1ccc(-c2nnc(Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)o2)cc1 ZINC000014350238 557334816 /nfs/dbraw/zinc/33/48/16/557334816.db2.gz YSEPRHBRAXWMMV-UHFFFAOYSA-N 0 0 433.490 1.628 50 0 IDAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C(=O)c2cc(C)on2)CC1 ZINC000023330215 557340558 /nfs/dbraw/zinc/34/05/58/557340558.db2.gz BJSNMSAGJWVASW-UHFFFAOYSA-N 0 0 427.465 1.187 50 0 IDAARN Cn1ncc2c1ncn(CC(=O)Nc1ccc3nc(N4CCOCC4)sc3c1)c2=O ZINC000011673422 557347110 /nfs/dbraw/zinc/34/71/10/557347110.db2.gz VPKYPZSRQRYOBS-UHFFFAOYSA-N 0 0 425.474 1.215 50 0 IDAARN Cc1sc2nc(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)[nH]c(=O)c2c1C ZINC000014672391 557347615 /nfs/dbraw/zinc/34/76/15/557347615.db2.gz ZKPGUPFAOGOQPA-NSHDSACASA-N 0 0 439.588 1.999 50 0 IDAARN C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1CC(N)=O)c1ccc2c(c1)OCCO2 ZINC000023349066 557350465 /nfs/dbraw/zinc/35/04/65/557350465.db2.gz HSXLJIMPXIGHJI-LBPRGKRZSA-N 0 0 443.485 1.764 50 0 IDAARN O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(COCC(F)(F)F)cc3)cc2[nH]c1=O ZINC000023436306 557354286 /nfs/dbraw/zinc/35/42/86/557354286.db2.gz UBPZOXDBSMEYRP-UHFFFAOYSA-N 0 0 443.403 1.774 50 0 IDAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1C1CC1 ZINC000102573567 557354798 /nfs/dbraw/zinc/35/47/98/557354798.db2.gz IUHKIXSJMPHWJU-OAHLLOKOSA-N 0 0 432.329 1.590 50 0 IDAARN CCOC(=O)c1cc(CC)sc1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O ZINC000023597769 557367507 /nfs/dbraw/zinc/36/75/07/557367507.db2.gz OLGUYDFVJOECMW-UHFFFAOYSA-N 0 0 441.531 1.538 50 0 IDAARN Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)c(=O)n2C ZINC000023640867 557370474 /nfs/dbraw/zinc/37/04/74/557370474.db2.gz GWZAPPRADJOFLC-KRWDZBQOSA-N 0 0 442.472 1.239 50 0 IDAARN O=C(Nc1nnc(Cc2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000011694634 557392677 /nfs/dbraw/zinc/39/26/77/557392677.db2.gz NAJSLNPAJJXVIL-UHFFFAOYSA-N 0 0 434.499 1.995 50 0 IDAARN O=C(c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)N1CCOC[C@H]1c1nc[nH]n1 ZINC000408516453 557411988 /nfs/dbraw/zinc/41/19/88/557411988.db2.gz GVTVPLUYSPNORJ-IBGZPJMESA-N 0 0 431.452 1.857 50 0 IDAARN O=C(c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000408516454 557412001 /nfs/dbraw/zinc/41/20/01/557412001.db2.gz GVTVPLUYSPNORJ-LJQANCHMSA-N 0 0 431.452 1.857 50 0 IDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@H](C(=O)OC)[C@H]3C2=O)cc1 ZINC000102916352 557412353 /nfs/dbraw/zinc/41/23/53/557412353.db2.gz OGHTWSBACFWVHF-NQBHXWOUSA-N 0 0 448.478 1.534 50 0 IDAARN CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)c3oc(C)nc3C)c2)CC1 ZINC000408521016 557413281 /nfs/dbraw/zinc/41/32/81/557413281.db2.gz FRVLTWOOPAEYCZ-KRWDZBQOSA-N 0 0 436.534 1.621 50 0 IDAARN CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccnc(C)n3)cc2)CC1 ZINC000408521061 557413632 /nfs/dbraw/zinc/41/36/32/557413632.db2.gz GRUJDQGOXPNXAS-QGZVFWFLSA-N 0 0 433.534 1.115 50 0 IDAARN CCc1ccccc1N1C[C@H](C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000103263181 557432370 /nfs/dbraw/zinc/43/23/70/557432370.db2.gz KPUVJYRSLBRSAI-QYZOEREBSA-N 0 0 434.558 1.797 50 0 IDAARN COc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1S(=O)(=O)N(C)C ZINC000103413023 557436474 /nfs/dbraw/zinc/43/64/74/557436474.db2.gz GGAVSKMLBBVNMF-YUELXQCFSA-N 0 0 435.502 1.224 50 0 IDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000100872980 557454671 /nfs/dbraw/zinc/45/46/71/557454671.db2.gz UTZQLWMHKOTYPT-VZCXRCSSSA-N 0 0 449.510 1.509 50 0 IDAARN O=C(Cn1c(=O)[nH]c2c(-c3ccccc3F)c[nH]c2c1=O)NCc1ccc2c(c1)OCO2 ZINC000101270637 557455971 /nfs/dbraw/zinc/45/59/71/557455971.db2.gz YOVXYEPOFNBDBZ-UHFFFAOYSA-N 0 0 436.399 1.869 50 0 IDAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000105352201 557495815 /nfs/dbraw/zinc/49/58/15/557495815.db2.gz UXKZVKPESZJUQE-POKHYADKSA-N 0 0 436.306 1.350 50 0 IDAARN CCc1ccc2c(c1)[C@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000105379220 557496864 /nfs/dbraw/zinc/49/68/64/557496864.db2.gz WZMLRSVHAXQUKU-HEIFXHCZSA-N 0 0 433.508 1.593 50 0 biogenic IDAARN Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)N1CCN(C)CC1 ZINC000019852356 557509341 /nfs/dbraw/zinc/50/93/41/557509341.db2.gz DDXQNSVUTMKLEH-UHFFFAOYSA-N 0 0 436.969 1.307 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)n(C)c1 ZINC000018396467 557512220 /nfs/dbraw/zinc/51/22/20/557512220.db2.gz OEIWJWIJCVSPLL-UHFFFAOYSA-N 0 0 432.502 1.729 50 0 IDAARN O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031057 557524094 /nfs/dbraw/zinc/52/40/94/557524094.db2.gz OZFGMAFEPZMZGG-HNNXBMFYSA-N 0 0 429.466 1.856 50 0 IDAARN O=C(NCCc1ccc(F)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031143 557524218 /nfs/dbraw/zinc/52/42/18/557524218.db2.gz YYJXFKFGHBFOOE-MRXNPFEDSA-N 0 0 443.493 1.898 50 0 IDAARN CC(=O)NCc1ccc(-c2csc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)n2)o1 ZINC000012052576 557525682 /nfs/dbraw/zinc/52/56/82/557525682.db2.gz OIXFNQMJKVOZDP-UHFFFAOYSA-N 0 0 447.498 1.475 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(N)=O)s2)cc1 ZINC000012080612 557527235 /nfs/dbraw/zinc/52/72/35/557527235.db2.gz VSFGZSFSKXPNRR-UHFFFAOYSA-N 0 0 429.549 1.398 50 0 IDAARN Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012080761 557527401 /nfs/dbraw/zinc/52/74/01/557527401.db2.gz MSVWMDQTFPAFQT-LJQANCHMSA-N 0 0 431.514 1.083 50 0 IDAARN O=C([O-])[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000106715361 557531686 /nfs/dbraw/zinc/53/16/86/557531686.db2.gz HQNLBCQUZJYGKV-INIZCTEOSA-N 0 0 441.488 1.490 50 0 IDAARN Cc1cc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1 ZINC000211103184 557534275 /nfs/dbraw/zinc/53/42/75/557534275.db2.gz HNEGJGSNEAWKSF-UHFFFAOYSA-N 0 0 432.424 1.999 50 0 IDAARN Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)s1 ZINC000085807937 557536792 /nfs/dbraw/zinc/53/67/92/557536792.db2.gz BJWALPDSSNYBPT-UHFFFAOYSA-N 0 0 438.556 1.810 50 0 IDAARN COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000044841084 557539599 /nfs/dbraw/zinc/53/95/99/557539599.db2.gz MICPFMFKDUPDKV-UHFFFAOYSA-N 0 0 425.441 1.245 50 0 IDAARN O=C(NCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000044892927 557539932 /nfs/dbraw/zinc/53/99/32/557539932.db2.gz WTPPSBYDQIDWES-UHFFFAOYSA-N 0 0 441.513 1.072 50 0 IDAARN CN1C(=O)COc2ccc(C(=O)COc3coc(CN4CCSCC4)cc3=O)cc21 ZINC000044900921 557540180 /nfs/dbraw/zinc/54/01/80/557540180.db2.gz NFUMHFJJDHNWCU-UHFFFAOYSA-N 0 0 430.482 1.806 50 0 IDAARN Cc1ccc(-n2nc(-c3noc(C(=O)N(C)Cc4ccccc4)n3)c(=O)n(C)c2=O)cc1 ZINC000045946557 557551059 /nfs/dbraw/zinc/55/10/59/557551059.db2.gz DCHURRBTGNQLKA-UHFFFAOYSA-N 0 0 432.440 1.562 50 0 IDAARN CCn1c(=O)c(-c2noc(C(=O)NCCc3ccco3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000045946040 557554282 /nfs/dbraw/zinc/55/42/82/557554282.db2.gz TYINSFZIGXSVGO-UHFFFAOYSA-N 0 0 440.391 1.169 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCCN3CCOCC3)CC2)c1C ZINC000045973940 557555739 /nfs/dbraw/zinc/55/57/39/557555739.db2.gz MESLJFBEWNHMSV-UHFFFAOYSA-N 0 0 448.564 1.499 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCN3CCOCC3)CC2)c1C ZINC000045973903 557555801 /nfs/dbraw/zinc/55/58/01/557555801.db2.gz ANOUAXJHCGHTJT-UHFFFAOYSA-N 0 0 448.564 1.499 50 0 IDAARN COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCN3CCOCC3)CC2)c1C ZINC000045973962 557556021 /nfs/dbraw/zinc/55/60/21/557556021.db2.gz FGVNBUDPYCBCQF-UHFFFAOYSA-N 0 0 434.537 1.109 50 0 IDAARN COc1cccc(CNC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)c1OC ZINC000045970599 557558069 /nfs/dbraw/zinc/55/80/69/557558069.db2.gz OUJVNVXSCXUNAZ-UHFFFAOYSA-N 0 0 429.502 1.787 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000027772063 557583433 /nfs/dbraw/zinc/58/34/33/557583433.db2.gz DLVDTZLJMQJBRP-UHFFFAOYSA-N 0 0 440.566 1.113 50 0 IDAARN C[C@@H](OC(=O)CNC(=O)c1ccc2c(c1)OCO2)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000040161887 557709621 /nfs/dbraw/zinc/70/96/21/557709621.db2.gz MDXGZLJIJDAFPT-GFCCVEGCSA-N 0 0 448.453 1.331 50 0 IDAARN COc1ccc(C(=O)N2CCc3nc[nH]c(=O)c3C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000225497984 557730574 /nfs/dbraw/zinc/73/05/74/557730574.db2.gz CLUONQURTBZVFK-UHFFFAOYSA-N 0 0 446.529 1.542 50 0 IDAARN COc1cccc(Cn2nnc3c2ncn(CC(=O)Nc2ccc(N(C)C)cc2)c3=O)c1 ZINC000040478115 557753289 /nfs/dbraw/zinc/75/32/89/557753289.db2.gz TVDUKEMQAIWXDY-UHFFFAOYSA-N 0 0 433.472 1.750 50 0 IDAARN COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CS(=O)(=O)N(C)C ZINC000225738240 557770947 /nfs/dbraw/zinc/77/09/47/557770947.db2.gz MMRLPRGAINODCM-MRXNPFEDSA-N 0 0 441.550 1.707 50 0 IDAARN COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000225800187 557778952 /nfs/dbraw/zinc/77/89/52/557778952.db2.gz XJNTYGJHMZDTNC-MRXNPFEDSA-N 0 0 429.864 1.577 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC[S@@](=O)C1 ZINC000225828608 557781937 /nfs/dbraw/zinc/78/19/37/557781937.db2.gz FOTWHRRBPFGJJR-XAPAVIRMSA-N 0 0 428.576 1.818 50 0 IDAARN COC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc(N)n3)C2)s1 ZINC000225829665 557782283 /nfs/dbraw/zinc/78/22/83/557782283.db2.gz BXMRXNKTLVIUDN-LBPRGKRZSA-N 0 0 425.536 1.587 50 0 IDAARN CNC(=O)c1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@@H]3C2=O)cc1 ZINC000226883267 557810429 /nfs/dbraw/zinc/81/04/29/557810429.db2.gz WOBLPFFOUXIMJB-YQQAZPJKSA-N 0 0 435.461 1.524 50 0 IDAARN O=C([C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCOCCOCCOCC1 ZINC000000859442 557831556 /nfs/dbraw/zinc/83/15/56/557831556.db2.gz CFGJWTJLHBJPQJ-NRFANRHFSA-N 0 0 438.480 1.916 50 0 IDAARN CCN1CCO[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000240412830 557845259 /nfs/dbraw/zinc/84/52/59/557845259.db2.gz FOBCPXCGCDBSHZ-AOIWGVFYSA-N 0 0 438.569 1.118 50 0 IDAARN O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000240886183 557845679 /nfs/dbraw/zinc/84/56/79/557845679.db2.gz INPLAIZUXHTMNA-RBUKOAKNSA-N 0 0 445.545 1.776 50 0 IDAARN O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000240886182 557845697 /nfs/dbraw/zinc/84/56/97/557845697.db2.gz INPLAIZUXHTMNA-OALUTQOASA-N 0 0 445.545 1.776 50 0 IDAARN COC(=O)C1(NC(=O)c2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)CCS(=O)(=O)CC1 ZINC000241170953 557846181 /nfs/dbraw/zinc/84/61/81/557846181.db2.gz KDBWAJVOTHJVRM-IYBDPMFKSA-N 0 0 438.546 1.146 50 0 IDAARN COCC1(C(=O)Nc2ccc(-n3c(=O)[nH][nH]c3=O)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000241926479 557847030 /nfs/dbraw/zinc/84/70/30/557847030.db2.gz 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439.560 1.925 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCc3ccco3)CC2)cc1 ZINC000002368993 562927242 /nfs/dbraw/zinc/92/72/42/562927242.db2.gz HMXUBPYTWTTWDT-INIZCTEOSA-N 0 0 433.530 1.810 50 0 IDAARN CC(C)[C@H](C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 ZINC000002648628 562929255 /nfs/dbraw/zinc/92/92/55/562929255.db2.gz BIVZPZRNRSYTTI-HNNXBMFYSA-N 0 0 425.551 1.855 50 0 IDAARN O=C(c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl)N1CCOCC1 ZINC000002655671 562929463 /nfs/dbraw/zinc/92/94/63/562929463.db2.gz OWKYOAUFUSZTPO-UHFFFAOYSA-N 0 0 429.926 1.103 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C(=O)c2cccc(N)c2C1=O ZINC000002655794 562929502 /nfs/dbraw/zinc/92/95/02/562929502.db2.gz USVOWHZUYRCNTO-UHFFFAOYSA-N 0 0 429.454 1.035 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)CC1 ZINC000002720486 562929905 /nfs/dbraw/zinc/92/99/05/562929905.db2.gz XZVLUHLTACGHER-HNNXBMFYSA-N 0 0 434.474 1.975 50 0 IDAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)c1ccccc1 ZINC000002954150 562931179 /nfs/dbraw/zinc/93/11/79/562931179.db2.gz GBYRDQASFOXVHO-KRWDZBQOSA-N 0 0 437.562 1.660 50 0 IDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3cccs3)C(=O)N21 ZINC000002967749 562931307 /nfs/dbraw/zinc/93/13/07/562931307.db2.gz RYVTVDIICGBXAC-CQSZACIVSA-N 0 0 427.511 1.632 50 0 IDAARN COc1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 ZINC000003218225 562932963 /nfs/dbraw/zinc/93/29/63/562932963.db2.gz JWRNGYXTCCLNIJ-UHFFFAOYSA-N 0 0 448.497 1.820 50 0 IDAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1N ZINC000003274975 562933590 /nfs/dbraw/zinc/93/35/90/562933590.db2.gz DKIWUWOTWXYRKP-UHFFFAOYSA-N 0 0 434.503 1.046 50 0 IDAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000003337800 562934392 /nfs/dbraw/zinc/93/43/92/562934392.db2.gz VKQRBICMPSTLGX-UHFFFAOYSA-N 0 0 432.820 1.323 50 0 IDAARN CC(C)CN(C(=O)CSc1nnc2ccccn21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003347994 562934622 /nfs/dbraw/zinc/93/46/22/562934622.db2.gz YCTRUIQPWXRQKK-UHFFFAOYSA-N 0 0 445.549 1.599 50 0 IDAARN COc1ccc(CNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000003348119 562934627 /nfs/dbraw/zinc/93/46/27/562934627.db2.gz XOWQRMXVUDNKRD-UHFFFAOYSA-N 0 0 448.497 1.189 50 0 IDAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000003398566 562935216 /nfs/dbraw/zinc/93/52/16/562935216.db2.gz ABRBHPLOMVSGKX-UHFFFAOYSA-N 0 0 431.514 1.858 50 0 IDAARN CCCCN(C(=O)c1nn(C)c(=O)c2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003565651 562936492 /nfs/dbraw/zinc/93/64/92/562936492.db2.gz OCMJBONEYXDVLD-UHFFFAOYSA-N 0 0 440.504 1.469 50 0 IDAARN Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1 ZINC000003565353 562936507 /nfs/dbraw/zinc/93/65/07/562936507.db2.gz RWXZKHSBCIAOEJ-UHFFFAOYSA-N 0 0 438.416 1.971 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(NCCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000004038239 562941225 /nfs/dbraw/zinc/94/12/25/562941225.db2.gz SDELGVUQATWUIA-SFHVURJKSA-N 0 0 449.511 1.826 50 0 aggregator IDAARN O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000004110427 562942004 /nfs/dbraw/zinc/94/20/04/562942004.db2.gz YIQZFLJXMTVZRU-UHFFFAOYSA-N 0 0 436.468 1.085 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1 ZINC000004142153 562942271 /nfs/dbraw/zinc/94/22/71/562942271.db2.gz AHNZBTGLZGBUOU-LJQANCHMSA-N 0 0 431.514 1.794 50 0 IDAARN O=C(COC(=O)CNC(=O)c1ccc(Br)o1)Nc1ccc2c(c1)OCCO2 ZINC000004195265 562942537 /nfs/dbraw/zinc/94/25/37/562942537.db2.gz LLCHVFSWQVHQII-UHFFFAOYSA-N 0 0 439.218 1.725 50 0 IDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccccc1-c1ccccc1 ZINC000004195457 562942630 /nfs/dbraw/zinc/94/26/30/562942630.db2.gz JLXWZBWIENDDRY-SFHVURJKSA-N 0 0 430.526 1.884 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004256078 562942939 /nfs/dbraw/zinc/94/29/39/562942939.db2.gz GMHYNAOFGRHEHB-QSUVIHHLSA-N 0 0 437.445 1.490 50 0 IDAARN CCOC(=O)COc1cccc2c1ccn(CC(=O)N1CCN(C(=O)OCC)CC1)c2=O ZINC000006529268 562947019 /nfs/dbraw/zinc/94/70/19/562947019.db2.gz HXSUTYCYCPSKQJ-UHFFFAOYSA-N 0 0 445.472 1.244 50 0 IDAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCC2)c1 ZINC000006530844 562947166 /nfs/dbraw/zinc/94/71/66/562947166.db2.gz FLSHTPVQLYYEMJ-UHFFFAOYSA-N 0 0 440.529 1.648 50 0 IDAARN CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(OCC)cc1 ZINC000006577957 562947962 /nfs/dbraw/zinc/94/79/62/562947962.db2.gz ARSGWEAMUHEDJW-LBPRGKRZSA-N 0 0 445.501 1.677 50 0 aggregator IDAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000006894338 562948452 /nfs/dbraw/zinc/94/84/52/562948452.db2.gz QWKPRMWQOOWHKJ-QGZVFWFLSA-N 0 0 427.592 1.356 50 0 IDAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000006894342 562948457 /nfs/dbraw/zinc/94/84/57/562948457.db2.gz BIXIPWGTOOBSRF-GOSISDBHSA-N 0 0 425.551 1.379 50 0 IDAARN COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(CC(=O)Nc2ccccc2F)c1=O ZINC000008592146 562952203 /nfs/dbraw/zinc/95/22/03/562952203.db2.gz WKHAUGLASUOXCP-UHFFFAOYSA-N 0 0 449.398 1.507 50 0 IDAARN COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(C[C@@H]3CCCO3)c2=O)cc(OC)c1 ZINC000008593473 562952692 /nfs/dbraw/zinc/95/26/92/562952692.db2.gz QPYDWSSNNSIUMD-INIZCTEOSA-N 0 0 439.468 1.998 50 0 IDAARN COc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1OC ZINC000008598461 562954303 /nfs/dbraw/zinc/95/43/03/562954303.db2.gz VSAIOTYFUGBFRP-UHFFFAOYSA-N 0 0 448.497 1.671 50 0 IDAARN O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008601629 562955499 /nfs/dbraw/zinc/95/54/99/562955499.db2.gz DDDCKJUEDLYNOM-KRWDZBQOSA-N 0 0 447.488 1.382 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4ccccc4)C3)cc2oc1=O ZINC000008603647 562956077 /nfs/dbraw/zinc/95/60/77/562956077.db2.gz OLQSQWHQQSVZEC-KRWDZBQOSA-N 0 0 443.525 1.891 50 0 IDAARN CCOCCc1nn2c(nc(COC(=O)CNC(=O)c3cccc(C)c3)cc2=O)s1 ZINC000008605496 562956750 /nfs/dbraw/zinc/95/67/50/562956750.db2.gz RUCWFCXENWVADM-UHFFFAOYSA-N 0 0 430.486 1.512 50 0 IDAARN COc1ccc(CN2CCCN(CC(=O)Nc3ccc4c(c3)OCCO4)S2(=O)=O)cc1 ZINC000008607266 562957292 /nfs/dbraw/zinc/95/72/92/562957292.db2.gz NTMDPDVYFPPWLE-UHFFFAOYSA-N 0 0 447.513 1.858 50 0 IDAARN CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000008607684 562957355 /nfs/dbraw/zinc/95/73/55/562957355.db2.gz RLGNZXKNPPWDGH-UHFFFAOYSA-N 0 0 431.470 1.788 50 0 IDAARN CCOc1ccc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000008608287 562957411 /nfs/dbraw/zinc/95/74/11/562957411.db2.gz MVWHXWDXKWXCPO-UHFFFAOYSA-N 0 0 432.506 1.902 50 0 IDAARN CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)CC2)cc1 ZINC000008666627 562960500 /nfs/dbraw/zinc/96/05/00/562960500.db2.gz NBKZLZUCVDAKRQ-UHFFFAOYSA-N 0 0 443.573 1.547 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O ZINC000008667132 562960597 /nfs/dbraw/zinc/96/05/97/562960597.db2.gz XXGAOTSQBKOYBL-UHFFFAOYSA-N 0 0 441.669 1.534 50 0 IDAARN CCC(CC)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1OC ZINC000008680898 562961615 /nfs/dbraw/zinc/96/16/15/562961615.db2.gz DIGCBLLMYZQBFW-UHFFFAOYSA-N 0 0 428.507 1.634 50 0 IDAARN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC(=O)NC(=O)c1cccn1C ZINC000008684963 562962322 /nfs/dbraw/zinc/96/23/22/562962322.db2.gz RXFNLVWEBKVQJA-INIZCTEOSA-N 0 0 431.514 1.685 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc1 ZINC000008791270 562964188 /nfs/dbraw/zinc/96/41/88/562964188.db2.gz XCIGKBBPJQAESH-XAUMDUMWSA-N 0 0 425.485 1.403 50 0 biogenic IDAARN CCSc1nnc(C)c(=O)n1COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008860127 562965270 /nfs/dbraw/zinc/96/52/70/562965270.db2.gz ISBFJAZTRFHCPT-UHFFFAOYSA-N 0 0 438.531 1.658 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000008861038 562965449 /nfs/dbraw/zinc/96/54/49/562965449.db2.gz QMHXFFHQCFHHNJ-XMSQKQJNSA-N 0 0 441.509 1.674 50 0 IDAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 ZINC000008878216 562965634 /nfs/dbraw/zinc/96/56/34/562965634.db2.gz CFMRGWSWSRFICU-UHFFFAOYSA-N 0 0 440.477 1.752 50 0 IDAARN CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)OCO2 ZINC000009126490 562967520 /nfs/dbraw/zinc/96/75/20/562967520.db2.gz BVMKVFWQNDYXMR-UHFFFAOYSA-N 0 0 437.499 1.994 50 0 IDAARN O=C(/C=C/c1cccs1)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009138634 562967768 /nfs/dbraw/zinc/96/77/68/562967768.db2.gz YHKHYYWVECOHQR-VOTSOKGWSA-N 0 0 436.511 1.964 50 0 IDAARN NC(=O)Nc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009144721 562967851 /nfs/dbraw/zinc/96/78/51/562967851.db2.gz NHISCFFWTPEBEL-GOSISDBHSA-N 0 0 445.497 1.550 50 0 IDAARN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000009373607 562969691 /nfs/dbraw/zinc/96/96/91/562969691.db2.gz FMJNBXCSDIUYDK-UHFFFAOYSA-N 0 0 440.499 1.280 50 0 IDAARN COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)C1 ZINC000009429543 562970545 /nfs/dbraw/zinc/97/05/45/562970545.db2.gz XBDLVJDWYHIRAI-RDJZCZTQSA-N 0 0 449.573 1.538 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009442975 562971218 /nfs/dbraw/zinc/97/12/18/562971218.db2.gz RPPKEWOTRCGUBA-FQEVSTJZSA-N 0 0 441.484 1.562 50 0 IDAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000009466931 562971675 /nfs/dbraw/zinc/97/16/75/562971675.db2.gz OEHOPHNJQFJONC-BLLLJJGKSA-N 0 0 445.588 1.576 50 0 IDAARN Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 ZINC000009467934 562971679 /nfs/dbraw/zinc/97/16/79/562971679.db2.gz FQGHUXUPDBPUEA-UHFFFAOYSA-N 0 0 444.488 1.074 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1OC ZINC000009467350 562971689 /nfs/dbraw/zinc/97/16/89/562971689.db2.gz JWYCDTBMMHJAFY-UHFFFAOYSA-N 0 0 436.534 1.508 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1 ZINC000009491339 562971951 /nfs/dbraw/zinc/97/19/51/562971951.db2.gz WEJSOKCPQSQPNG-UHFFFAOYSA-N 0 0 431.470 1.520 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000009492256 562972053 /nfs/dbraw/zinc/97/20/53/562972053.db2.gz SWSHOUJNJUSDNU-SFHVURJKSA-N 0 0 426.448 1.776 50 0 IDAARN CCCCCCn1nc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O ZINC000009492483 562972155 /nfs/dbraw/zinc/97/21/55/562972155.db2.gz QKFFOIFRWWEOLZ-HNNXBMFYSA-N 0 0 449.529 1.437 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000009493488 562972211 /nfs/dbraw/zinc/97/22/11/562972211.db2.gz XUXIGXWRBPAUBQ-UHFFFAOYSA-N 0 0 436.534 1.829 50 0 IDAARN NC(=O)C1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)CC1 ZINC000009519478 562972875 /nfs/dbraw/zinc/97/28/75/562972875.db2.gz ULKIUOTYBJJFSJ-UHFFFAOYSA-N 0 0 438.528 1.951 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c1 ZINC000009562468 562973337 /nfs/dbraw/zinc/97/33/37/562973337.db2.gz AYMHIBHJAJBROP-SFHVURJKSA-N 0 0 444.513 1.429 50 0 IDAARN O=C(NCc1ccccc1F)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1 ZINC000009577623 562973378 /nfs/dbraw/zinc/97/33/78/562973378.db2.gz MDEMEYOLYQPNRC-OAHLLOKOSA-N 0 0 441.506 1.057 50 0 IDAARN Cc1cc(F)ccc1S(=O)(=O)N1CCCO[C@H]1CNC(=O)C(=O)NC1CCCC1 ZINC000009577638 562973390 /nfs/dbraw/zinc/97/33/90/562973390.db2.gz ZHALYJAKCURBIQ-KRWDZBQOSA-N 0 0 427.498 1.046 50 0 IDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1 ZINC000009580748 562973540 /nfs/dbraw/zinc/97/35/40/562973540.db2.gz AKSIGRYRXFQFJD-UHFFFAOYSA-N 0 0 430.438 1.839 50 0 IDAARN COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 ZINC000009584421 562973613 /nfs/dbraw/zinc/97/36/13/562973613.db2.gz BLLBRPXYPKVRFV-JOCHJYFZSA-N 0 0 441.440 1.881 50 0 IDAARN COc1ccc(C(=O)N2CCO[C@@H]2CNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000009600536 562973949 /nfs/dbraw/zinc/97/39/49/562973949.db2.gz QGDLXWREUVYOAV-GOSISDBHSA-N 0 0 431.876 1.580 50 0 IDAARN COCCCNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl ZINC000009612758 562974175 /nfs/dbraw/zinc/97/41/75/562974175.db2.gz IPTCVDMGGFZCFO-UHFFFAOYSA-N 0 0 431.942 1.397 50 0 IDAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1)c(=O)n(C[C@H]1CCCO1)c2=O ZINC000009617451 562974323 /nfs/dbraw/zinc/97/43/23/562974323.db2.gz CBOSFPNSAMCOIU-MRXNPFEDSA-N 0 0 439.468 1.998 50 0 IDAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000009632381 562974461 /nfs/dbraw/zinc/97/44/61/562974461.db2.gz JOUQKCVSLUPYEZ-CQSZACIVSA-N 0 0 436.461 1.416 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1cccs1 ZINC000009634191 562974576 /nfs/dbraw/zinc/97/45/76/562974576.db2.gz OKTHHVDRLIDSLQ-UHFFFAOYSA-N 0 0 438.527 1.802 50 0 IDAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000009670253 562975071 /nfs/dbraw/zinc/97/50/71/562975071.db2.gz AUCZUVLQUHHJHQ-UHFFFAOYSA-N 0 0 435.849 1.515 50 0 IDAARN CCCn1c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nnc1-c1ccncc1 ZINC000009712627 562975708 /nfs/dbraw/zinc/97/57/08/562975708.db2.gz XMAVDOBCMQYBPT-UHFFFAOYSA-N 0 0 427.490 1.492 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccncc1 ZINC000009715271 562975897 /nfs/dbraw/zinc/97/58/97/562975897.db2.gz SJHRNMDTLTXJBB-SFHVURJKSA-N 0 0 448.520 1.587 50 0 IDAARN O=C(NCCc1ccco1)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009743689 562976432 /nfs/dbraw/zinc/97/64/32/562976432.db2.gz IBGKUGVSMMWJIP-KRWDZBQOSA-N 0 0 433.530 1.688 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000009806070 562977005 /nfs/dbraw/zinc/97/70/05/562977005.db2.gz HDTLLQKFDDJEBI-SFHVURJKSA-N 0 0 445.541 1.323 50 0 IDAARN COc1ccccc1CCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000009806046 562977031 /nfs/dbraw/zinc/97/70/31/562977031.db2.gz GNUKBNRINHLOKH-GOSISDBHSA-N 0 0 445.541 1.323 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C)cc2)cc1 ZINC000009806554 562977052 /nfs/dbraw/zinc/97/70/52/562977052.db2.gz VEDWIOJDXOGUQM-QGZVFWFLSA-N 0 0 431.514 1.912 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C)cc2)cc1 ZINC000009806551 562977097 /nfs/dbraw/zinc/97/70/97/562977097.db2.gz VEDWIOJDXOGUQM-KRWDZBQOSA-N 0 0 431.514 1.912 50 0 IDAARN COc1cccc(NC(=O)c2cnc(SCC(=O)NC[C@@H]3CCCO3)n(C)c2=O)c1 ZINC000009828833 562977285 /nfs/dbraw/zinc/97/72/85/562977285.db2.gz NDDIRDJWWNMGPF-HNNXBMFYSA-N 0 0 432.502 1.429 50 0 IDAARN CCOc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1 ZINC000009960631 562977992 /nfs/dbraw/zinc/97/79/92/562977992.db2.gz VPVGSZHEDSGMEF-HXUWFJFHSA-N 0 0 447.557 1.846 50 0 IDAARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009981846 562978163 /nfs/dbraw/zinc/97/81/63/562978163.db2.gz LXTQVCNJRALUPJ-UHFFFAOYSA-N 0 0 430.465 1.902 50 0 IDAARN Cc1nc(C)n(C[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000010233303 562978559 /nfs/dbraw/zinc/97/85/59/562978559.db2.gz CESURPBUBOXWTK-ZDUSSCGKSA-N 0 0 425.942 1.718 50 0 IDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCC2CCOCC2)cc1OC ZINC000011708086 562979210 /nfs/dbraw/zinc/97/92/10/562979210.db2.gz QMMUMUHEFZBKQR-LJQANCHMSA-N 0 0 433.549 1.669 50 0 IDAARN CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)c(OC)c1 ZINC000011843725 562979510 /nfs/dbraw/zinc/97/95/10/562979510.db2.gz DKZMFVGIQZTLFC-SFHVURJKSA-N 0 0 429.521 1.140 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000013009328 562984042 /nfs/dbraw/zinc/98/40/42/562984042.db2.gz LYQOFQMLIWJGIF-IBGZPJMESA-N 0 0 433.505 1.999 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(NCCCOC(C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000037866242 563095861 /nfs/dbraw/zinc/09/58/61/563095861.db2.gz CBUKOAZGSAQYSF-MRXNPFEDSA-N 0 0 445.520 1.399 50 0 IDAARN COc1ccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000037866244 563095872 /nfs/dbraw/zinc/09/58/72/563095872.db2.gz BFEWQUYRXOPUSK-UHFFFAOYSA-N 0 0 437.250 1.096 50 0 IDAARN Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)no1 ZINC000038140713 563095982 /nfs/dbraw/zinc/09/59/82/563095982.db2.gz XUAUSSMPOJGPPG-UHFFFAOYSA-N 0 0 436.472 1.999 50 0 IDAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC[C@@H]1CCCO1 ZINC000056945553 563142788 /nfs/dbraw/zinc/14/27/88/563142788.db2.gz SLGBFKGBWPQNEW-PMACEKPBSA-N 0 0 444.507 1.693 50 0 IDAARN Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000096099664 563195121 /nfs/dbraw/zinc/19/51/21/563195121.db2.gz KJCZPXWXBSUMNC-UHFFFAOYSA-N 0 0 439.346 1.749 50 0 IDAARN COC(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)[C@@H](C(=O)OC)C1 ZINC000222236293 568626282 /nfs/dbraw/zinc/62/62/82/568626282.db2.gz QDJPMBVMCUILTI-JKIFEVAISA-N 0 0 434.514 1.715 50 0 IDAARN COc1ccc(-c2cc(=O)n(CCNC(=O)[C@@H](C)n3nc4c(cc3=O)CCC4)cn2)cc1 ZINC000585150616 568627822 /nfs/dbraw/zinc/62/78/22/568627822.db2.gz YMUVOUMQBQECAB-OAHLLOKOSA-N 0 0 435.484 1.342 50 0 IDAARN C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000015038774 568634220 /nfs/dbraw/zinc/63/42/20/568634220.db2.gz KZDFDXUFRPYWIY-MRXNPFEDSA-N 0 0 432.546 1.630 50 0 IDAARN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1N1CCOCC1 ZINC000015038777 568634291 /nfs/dbraw/zinc/63/42/91/568634291.db2.gz KZDFDXUFRPYWIY-INIZCTEOSA-N 0 0 432.546 1.630 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)COC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000025118011 568636637 /nfs/dbraw/zinc/63/66/37/568636637.db2.gz MJOVYIJMDNFLMD-UHFFFAOYSA-N 0 0 431.489 1.636 50 0 IDAARN COCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019076885 568637089 /nfs/dbraw/zinc/63/70/89/568637089.db2.gz OZYBLQNSKNNHNT-UHFFFAOYSA-N 0 0 442.563 1.213 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2cccc3nsnc32)cc1 ZINC000019077203 568637380 /nfs/dbraw/zinc/63/73/80/568637380.db2.gz YDFLOWNVYMICFM-UHFFFAOYSA-N 0 0 434.499 1.802 50 0 IDAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000000937633 568638951 /nfs/dbraw/zinc/63/89/51/568638951.db2.gz NMDIKCGAKJQDHO-UHFFFAOYSA-N 0 0 443.481 1.613 50 0 IDAARN Cc1ccc([C@H](CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)N2CCOCC2)o1 ZINC000025399438 568654998 /nfs/dbraw/zinc/65/49/98/568654998.db2.gz RNLPYISTLUMYIW-INIZCTEOSA-N 0 0 441.575 1.545 50 0 IDAARN COc1ccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000063376382 568739499 /nfs/dbraw/zinc/73/94/99/568739499.db2.gz MAOYCCSILAQNLG-MOPGFXCFSA-N 0 0 446.525 1.727 50 0 IDAARN CCOC(=O)c1csc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 ZINC000003235358 568743373 /nfs/dbraw/zinc/74/33/73/568743373.db2.gz ZUHANODEAQRHKA-UHFFFAOYSA-N 0 0 439.515 1.901 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000003341343 568746501 /nfs/dbraw/zinc/74/65/01/568746501.db2.gz CLNOJFISYNEHGU-UHFFFAOYSA-N 0 0 441.509 1.514 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000003404592 568748517 /nfs/dbraw/zinc/74/85/17/568748517.db2.gz BUEMVZONFWPTJB-UHFFFAOYSA-N 0 0 437.543 1.682 50 0 IDAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 ZINC000003428598 568748884 /nfs/dbraw/zinc/74/88/84/568748884.db2.gz OJZUXRXFTMUODL-UHFFFAOYSA-N 0 0 425.474 1.208 50 0 IDAARN Cc1cc(=NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159275 568751102 /nfs/dbraw/zinc/75/11/02/568751102.db2.gz QDALOYIDZCKJJR-QGZVFWFLSA-N 0 0 432.550 1.235 50 0 IDAARN Cc1cc(=NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159189 568751149 /nfs/dbraw/zinc/75/11/49/568751149.db2.gz YNFWOIBVTLKARN-SFHVURJKSA-N 0 0 427.530 1.957 50 0 IDAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccnc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000003623585 568751794 /nfs/dbraw/zinc/75/17/94/568751794.db2.gz YBTUXVJMISFPKI-IBGZPJMESA-N 0 0 445.357 1.369 50 0 IDAARN CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000004074115 568760404 /nfs/dbraw/zinc/76/04/04/568760404.db2.gz LFGKSTXMMGLRGH-ICSRJNTNSA-N 0 0 428.533 1.892 50 0 biogenic IDAARN COc1cccc(-c2cc3n(n2)[C@H](NCCc2ccc(S(N)(=O)=O)cc2)CNC3=O)c1 ZINC000263615011 568775600 /nfs/dbraw/zinc/77/56/00/568775600.db2.gz ADSUPTKBIOBMGH-FQEVSTJZSA-N 0 0 441.513 1.280 50 0 IDAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)N[C@H]4CCS(=O)(=O)C4)ccc3c2=O)c1 ZINC000032072349 568776523 /nfs/dbraw/zinc/77/65/23/568776523.db2.gz YESHSYKJRBXJQP-AWEZNQCLSA-N 0 0 443.481 1.320 50 0 IDAARN CN1CCN(C(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccccc3)C4)CC2)CC1 ZINC000263618822 568777884 /nfs/dbraw/zinc/77/78/84/568777884.db2.gz VRVXMXJWEDEVBO-NRFANRHFSA-N 0 0 437.544 1.781 50 0 IDAARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@H]2C1=O ZINC000001311022 568779478 /nfs/dbraw/zinc/77/94/78/568779478.db2.gz NBMDFEYMLHFTAW-STECZYCISA-N 0 0 426.429 1.933 50 0 IDAARN CN(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000223157105 568781953 /nfs/dbraw/zinc/78/19/53/568781953.db2.gz QLZGDXAWTRKJFP-VQTJNVASSA-N 0 0 431.514 1.615 50 0 IDAARN COc1ccc(COC(=O)c2cccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000083947370 568786373 /nfs/dbraw/zinc/78/63/73/568786373.db2.gz CBNPMLAVQJIFJW-MRXNPFEDSA-N 0 0 439.511 1.518 50 0 IDAARN COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCOc3ccc(S(C)(=O)=O)cc32)c1C ZINC000084007916 568789651 /nfs/dbraw/zinc/78/96/51/568789651.db2.gz CFKHQDIRJGHAOE-UHFFFAOYSA-N 0 0 436.486 1.877 50 0 IDAARN CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccc(OC)c(OC)c1 ZINC000001430534 568794739 /nfs/dbraw/zinc/79/47/39/568794739.db2.gz QGFLHHVORLKCMQ-UHFFFAOYSA-N 0 0 429.477 1.180 50 0 IDAARN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)cc1 ZINC000084160362 568795448 /nfs/dbraw/zinc/79/54/48/568795448.db2.gz ZZQJVUKGEWHUHS-UHFFFAOYSA-N 0 0 441.553 1.894 50 0 IDAARN COc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1-n1nnnc1C ZINC000084297320 568796783 /nfs/dbraw/zinc/79/67/83/568796783.db2.gz HDRCYFPRMWKDRD-OWQGQXMQSA-N 0 0 431.522 1.644 50 0 IDAARN O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000084544118 568798635 /nfs/dbraw/zinc/79/86/35/568798635.db2.gz AFRVUQKUNRLBHJ-PQCJFMQRSA-N 0 0 433.593 1.659 50 0 IDAARN CC(C)COC[C@H](O)CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000084544426 568798649 /nfs/dbraw/zinc/79/86/49/568798649.db2.gz DDIALFCTZFFXDS-LJQANCHMSA-N 0 0 426.579 1.944 50 0 IDAARN O=C(NCCNc1nnnn1-c1ccccc1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000084572641 568798861 /nfs/dbraw/zinc/79/88/61/568798861.db2.gz IPCXQQPRALCIAW-UHFFFAOYSA-N 0 0 431.460 1.501 50 0 IDAARN COCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000084678166 568799811 /nfs/dbraw/zinc/79/98/11/568799811.db2.gz CVGPIUGKDFLQDC-ZDUSSCGKSA-N 0 0 427.548 1.243 50 0 IDAARN CC1=C(C)C(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000084674102 568799836 /nfs/dbraw/zinc/79/98/36/568799836.db2.gz ZPFILJXSYSTPPK-UHFFFAOYSA-N 0 0 441.893 1.005 50 0 IDAARN COCCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000084678165 568799871 /nfs/dbraw/zinc/79/98/71/568799871.db2.gz CVGPIUGKDFLQDC-CYBMUJFWSA-N 0 0 427.548 1.243 50 0 IDAARN CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CN1CC[C@@H](CO)C1 ZINC000084774485 568801359 /nfs/dbraw/zinc/80/13/59/568801359.db2.gz GRIRDPJDBHHMAY-QGZVFWFLSA-N 0 0 440.610 1.816 50 0 IDAARN CSc1ccc(CCNC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn32)cc1 ZINC000015678774 568805459 /nfs/dbraw/zinc/80/54/59/568805459.db2.gz CNNGEFJUQJOSDV-UHFFFAOYSA-N 0 0 439.589 1.890 50 0 IDAARN O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000015713344 568811461 /nfs/dbraw/zinc/81/14/61/568811461.db2.gz VDGCMXSZGGZLRI-UHFFFAOYSA-N 0 0 433.440 1.692 50 0 IDAARN COc1ccc(Br)cc1CNC(=O)COc1nsnc1N1CCOCC1 ZINC000015729181 568813290 /nfs/dbraw/zinc/81/32/90/568813290.db2.gz ALTLDKOXFUSDSR-UHFFFAOYSA-N 0 0 443.323 1.841 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)COc3ccccc3C)CC2)cc1 ZINC000015730005 568814292 /nfs/dbraw/zinc/81/42/92/568814292.db2.gz SZDQZQAYQMURGY-UHFFFAOYSA-N 0 0 447.557 1.505 50 0 IDAARN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2S1 ZINC000015730884 568814370 /nfs/dbraw/zinc/81/43/70/568814370.db2.gz KTVBILAMIOLFTR-SNVBAGLBSA-N 0 0 427.529 1.958 50 0 IDAARN COc1cc(Cl)c(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)c(OC)c1 ZINC000015734677 568816477 /nfs/dbraw/zinc/81/64/77/568816477.db2.gz WZBPUXMDUZBJDF-UHFFFAOYSA-N 0 0 428.898 1.977 50 0 IDAARN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000015766543 568821551 /nfs/dbraw/zinc/82/15/51/568821551.db2.gz TYIYINWHNJGLAF-CQSZACIVSA-N 0 0 433.461 1.977 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCC[C@H](C)C2)cc1 ZINC000006081283 568821912 /nfs/dbraw/zinc/82/19/12/568821912.db2.gz YUAUNVQUHALXCP-AWEZNQCLSA-N 0 0 425.507 1.067 50 0 IDAARN O=C(CCc1nnc2ccc(NCc3cccnc3)nn21)N1CCN(c2ccccn2)CC1 ZINC000015776339 568823764 /nfs/dbraw/zinc/82/37/64/568823764.db2.gz XIEOHMKXXJOXSJ-UHFFFAOYSA-N 0 0 443.515 1.808 50 0 IDAARN CC1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4CCOCC4)cc3sc2=O)CC1 ZINC000085651669 568831456 /nfs/dbraw/zinc/83/14/56/568831456.db2.gz ONZIDZAKDRILMF-UHFFFAOYSA-N 0 0 439.559 1.342 50 0 IDAARN O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000085650955 568831618 /nfs/dbraw/zinc/83/16/18/568831618.db2.gz QMPCJZBPUAJZTI-OAHLLOKOSA-N 0 0 434.518 1.561 50 0 IDAARN CCCN1C(=O)c2c(C(=O)NC(C)C)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000085664922 568833749 /nfs/dbraw/zinc/83/37/49/568833749.db2.gz OZVKELHHUADODG-QHCPKHFHSA-N 0 0 441.532 1.971 50 0 IDAARN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000015822280 568840034 /nfs/dbraw/zinc/84/00/34/568840034.db2.gz UIEBNPGWJSPNCD-UHFFFAOYSA-N 0 0 433.486 1.271 50 0 IDAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O ZINC000025691679 568842534 /nfs/dbraw/zinc/84/25/34/568842534.db2.gz SNFAMLWBYDUMBA-CCKFTAQKSA-N 0 0 430.457 1.268 50 0 IDAARN O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000015866098 568850733 /nfs/dbraw/zinc/85/07/33/568850733.db2.gz QPKLKGHAGZSUQA-UHFFFAOYSA-N 0 0 432.502 1.060 50 0 IDAARN COc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c(=O)n2C ZINC000015880289 568853771 /nfs/dbraw/zinc/85/37/71/568853771.db2.gz HBLAWDYMBKGDAX-UHFFFAOYSA-N 0 0 438.362 1.950 50 0 IDAARN CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(OC)cc1OC)c(=O)n2C ZINC000015880392 568853788 /nfs/dbraw/zinc/85/37/88/568853788.db2.gz UBVHCQCZZFTCLU-UHFFFAOYSA-N 0 0 428.445 1.458 50 0 IDAARN Cc1ccc(OCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000015881653 568855854 /nfs/dbraw/zinc/85/58/54/568855854.db2.gz OIEUNHQRPUSDTK-UHFFFAOYSA-N 0 0 431.558 1.805 50 0 IDAARN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000015883631 568857764 /nfs/dbraw/zinc/85/77/64/568857764.db2.gz KBBUCIWQIBVYSK-OKILXGFUSA-N 0 0 434.562 1.703 50 0 IDAARN COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CSc2nnnn2C)cc1=O ZINC000015883881 568858086 /nfs/dbraw/zinc/85/80/86/568858086.db2.gz WGXLIHYHUDDNRS-UHFFFAOYSA-N 0 0 443.489 1.270 50 0 IDAARN O=S(=O)(NC1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1Br ZINC000575414451 568860791 /nfs/dbraw/zinc/86/07/91/568860791.db2.gz JMFYXFKFTITIQZ-ZDUSSCGKSA-N 0 0 437.381 1.379 50 0 IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968491 568861336 /nfs/dbraw/zinc/86/13/36/568861336.db2.gz TYWOLZGGOZTIIF-FHZNGLGWSA-N 0 0 433.508 1.593 50 0 biogenic IDAARN COc1cccc(N2C[C@@H](C(=O)NC3CCN(c4nccn5c(C)nnc45)CC3)CC2=O)c1 ZINC000575414959 568862507 /nfs/dbraw/zinc/86/25/07/568862507.db2.gz UBZQHEBYSFDBRV-INIZCTEOSA-N 0 0 449.515 1.579 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000016026187 568864527 /nfs/dbraw/zinc/86/45/27/568864527.db2.gz NOQMWPSDBROJAC-NARGUJOISA-N 0 0 432.480 1.099 50 0 biogenic IDAARN CN(C)S(=O)(=O)c1ccc(SCC(=O)NC(=O)NCCc2cccs2)nc1 ZINC000026173163 568867076 /nfs/dbraw/zinc/86/70/76/568867076.db2.gz ZVAUCVUBYBPURM-UHFFFAOYSA-N 0 0 428.561 1.554 50 0 IDAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016032930 568867636 /nfs/dbraw/zinc/86/76/36/568867636.db2.gz OKERUZQAHHXNIF-YLSATLEASA-N 0 0 439.899 1.684 50 0 biogenic IDAARN CCc1cccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016033016 568867662 /nfs/dbraw/zinc/86/76/62/568867662.db2.gz XJBNWBJVVISKKM-NRGSMNHXSA-N 0 0 446.507 1.088 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000016044445 568868630 /nfs/dbraw/zinc/86/86/30/568868630.db2.gz NFLMEORRJGFHOR-GOSISDBHSA-N 0 0 439.559 1.974 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000016044446 568868696 /nfs/dbraw/zinc/86/86/96/568868696.db2.gz NFLMEORRJGFHOR-SFHVURJKSA-N 0 0 439.559 1.974 50 0 IDAARN C[C@@H](C(=O)N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012939839 568868849 /nfs/dbraw/zinc/86/88/49/568868849.db2.gz KHDHCSLPVWEPNT-ZDUSSCGKSA-N 0 0 436.361 1.547 50 0 IDAARN O=C1C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CN1c1ccc2c(c1)OCCO2 ZINC000016048056 568869449 /nfs/dbraw/zinc/86/94/49/568869449.db2.gz NTRXAMYGAANUFK-ZDUSSCGKSA-N 0 0 432.454 1.313 50 0 IDAARN Cn1nnnc1-c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000026231118 568875906 /nfs/dbraw/zinc/87/59/06/568875906.db2.gz HBOUXLNLEOZHAU-UHFFFAOYSA-N 0 0 434.503 1.119 50 0 IDAARN O=C(C1CC1)N1CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000008778379 568877778 /nfs/dbraw/zinc/87/77/78/568877778.db2.gz UZTJJSUIMGVNNJ-LICLKQGHSA-N 0 0 431.558 1.780 50 0 IDAARN CN(C)c1nc(CNS(=O)(=O)c2ccc(Br)s2)nc(N2CCCC2)n1 ZINC000575605241 568877996 /nfs/dbraw/zinc/87/79/96/568877996.db2.gz HYPNUDABIFBBKK-UHFFFAOYSA-N 0 0 447.384 1.840 50 0 IDAARN O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cncc(Br)c1 ZINC000575605843 568878075 /nfs/dbraw/zinc/87/80/75/568878075.db2.gz NHGZTILVHQAELO-UHFFFAOYSA-N 0 0 448.325 1.396 50 0 IDAARN Cc1nnc2c(N3CC[C@H](NC(=O)[C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)C3)nccn12 ZINC000575608399 568878418 /nfs/dbraw/zinc/87/84/18/568878418.db2.gz SLDYDUVHKWUFBX-MSOLQXFVSA-N 0 0 433.516 1.798 50 0 IDAARN O=S(=O)(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000575608590 568878475 /nfs/dbraw/zinc/87/84/75/568878475.db2.gz OQXASKNGVLPVPU-CQSZACIVSA-N 0 0 426.482 1.635 50 0 IDAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NC2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000575609110 568878692 /nfs/dbraw/zinc/87/86/92/568878692.db2.gz RXMHDXWSZWAEDG-GOSISDBHSA-N 0 0 442.603 1.179 50 0 IDAARN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)CC1 ZINC000575609769 568878876 /nfs/dbraw/zinc/87/88/76/568878876.db2.gz PSKNQUSFXNCHFC-UHFFFAOYSA-N 0 0 438.923 1.804 50 0 IDAARN Cc1nccc(O[C@H]2CCCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CC4)C2)n1 ZINC000575609520 568878928 /nfs/dbraw/zinc/87/89/28/568878928.db2.gz MQWNTLGYGKOMJF-KRWDZBQOSA-N 0 0 428.514 1.852 50 0 IDAARN CN1c2cc(F)c(NC(=O)CCn3cnc4ccccc4c3=O)cc2N(C)S1(=O)=O ZINC000575612832 568879637 /nfs/dbraw/zinc/87/96/37/568879637.db2.gz OIPOKORSWGXLKK-UHFFFAOYSA-N 0 0 431.449 1.695 50 0 IDAARN CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000000633121 568880157 /nfs/dbraw/zinc/88/01/57/568880157.db2.gz NUWHWHMEUAHHAK-QGZVFWFLSA-N 0 0 435.484 1.500 50 0 IDAARN Cn1c(=O)n(C2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)nc1C(F)(F)F ZINC000575614783 568881165 /nfs/dbraw/zinc/88/11/65/568881165.db2.gz HNFHFHHJHQGGBO-UHFFFAOYSA-N 0 0 425.367 1.372 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 ZINC000575615450 568881311 /nfs/dbraw/zinc/88/13/11/568881311.db2.gz IFCXOADOOWNFQW-UHFFFAOYSA-N 0 0 441.410 1.663 50 0 IDAARN CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000575616643 568881469 /nfs/dbraw/zinc/88/14/69/568881469.db2.gz VLDNMCZBBGIIPH-UHFFFAOYSA-N 0 0 446.414 1.307 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1C ZINC000575616607 568881473 /nfs/dbraw/zinc/88/14/73/568881473.db2.gz SUTMGMBUKPGXLO-UHFFFAOYSA-N 0 0 436.460 1.460 50 0 IDAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 ZINC000575616979 568881707 /nfs/dbraw/zinc/88/17/07/568881707.db2.gz PBMLCSJGCGGKCA-LLVKDONJSA-N 0 0 448.423 1.677 50 0 IDAARN CC(=O)Nc1ncc(S(=O)(=O)N2CCC[C@H](n3cnc4ccccc4c3=O)C2)s1 ZINC000575618219 568882106 /nfs/dbraw/zinc/88/21/06/568882106.db2.gz UGDLVIQMDUMFEM-ZDUSSCGKSA-N 0 0 433.515 1.837 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3ccccc32)cn1C ZINC000035478373 568882519 /nfs/dbraw/zinc/88/25/19/568882519.db2.gz URWNREFAEYIPMI-GOSISDBHSA-N 0 0 431.514 1.944 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)cn1C ZINC000035478381 568882590 /nfs/dbraw/zinc/88/25/90/568882590.db2.gz SKMGRMASDJUUNJ-OAHLLOKOSA-N 0 0 449.485 1.722 50 0 IDAARN COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575619093 568882753 /nfs/dbraw/zinc/88/27/53/568882753.db2.gz GJKJNIKAPTYGCG-UHFFFAOYSA-N 0 0 432.484 1.482 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)cn1C ZINC000035478338 568882763 /nfs/dbraw/zinc/88/27/63/568882763.db2.gz QGHMKENKHSIZJG-CQSZACIVSA-N 0 0 435.458 1.332 50 0 IDAARN COc1ccc(-c2cc(N3CCN(C(=O)Cn4nc(C5CC5)ccc4=O)CC3)ncn2)cc1 ZINC000575620431 568883017 /nfs/dbraw/zinc/88/30/17/568883017.db2.gz QXPLLRMORMYXAO-UHFFFAOYSA-N 0 0 446.511 1.935 50 0 IDAARN Cc1nc(-c2ccc(N3CCN(C(=O)CCn4cnc5ccccc5c4=O)CC3)nc2)no1 ZINC000090558838 568887826 /nfs/dbraw/zinc/88/78/26/568887826.db2.gz LXKCDZCOGZXQNT-UHFFFAOYSA-N 0 0 445.483 1.889 50 0 IDAARN COC(=O)N1CCC(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 ZINC000090567500 568888035 /nfs/dbraw/zinc/88/80/35/568888035.db2.gz VMEGHFUUHURNHJ-UHFFFAOYSA-N 0 0 445.563 1.373 50 0 IDAARN Cn1c(SCC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)nnc1C1CC1 ZINC000012974427 568889892 /nfs/dbraw/zinc/88/98/92/568889892.db2.gz XNNGSQCHOLZYIR-FQEVSTJZSA-N 0 0 428.518 1.759 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)C4CC4)CC3)C2)cc1 ZINC000012975406 568890158 /nfs/dbraw/zinc/89/01/58/568890158.db2.gz SJGHVPKUNUVBFU-KRWDZBQOSA-N 0 0 435.546 1.177 50 0 IDAARN C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000012985016 568895435 /nfs/dbraw/zinc/89/54/35/568895435.db2.gz IKQGRYYSSGGSAT-ZDUSSCGKSA-N 0 0 444.473 1.097 50 0 IDAARN CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000013005558 568899278 /nfs/dbraw/zinc/89/92/78/568899278.db2.gz BRHGZIIWBBNFFB-UHFFFAOYSA-N 0 0 431.761 1.805 50 0 IDAARN O=C(CCN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1 ZINC000013010180 568899935 /nfs/dbraw/zinc/89/99/35/568899935.db2.gz YDDGHDVTPGOWCO-UHFFFAOYSA-N 0 0 440.541 1.681 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc(C)c3)CC2)cc1 ZINC000013022583 568902535 /nfs/dbraw/zinc/90/25/35/568902535.db2.gz SOCWRYSYMIZWBL-UHFFFAOYSA-N 0 0 431.514 1.267 50 0 IDAARN O=C(CSc1nnnn1Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000016447385 568903544 /nfs/dbraw/zinc/90/35/44/568903544.db2.gz KCKIKORRVAYRMN-UHFFFAOYSA-N 0 0 426.458 1.933 50 0 IDAARN CCOC(=O)C(CCCCCN1C(=O)c2ccccc2C1=O)(NC(C)=O)C(=O)OCC ZINC000039242549 568904152 /nfs/dbraw/zinc/90/41/52/568904152.db2.gz AQWXRDXJAJAWRK-UHFFFAOYSA-N 0 0 432.473 1.844 50 0 IDAARN CC(=O)N[C@@H]1[C@H](Oc2ccccc2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245225738 568912850 /nfs/dbraw/zinc/91/28/50/568912850.db2.gz KJHQVFWBNCVROC-NXNFSMPISA-N 0 0 437.445 1.030 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O ZINC000244866368 568912937 /nfs/dbraw/zinc/91/29/37/568912937.db2.gz VUVQPEDNHSWZRJ-FZKCQIBNSA-N 0 0 426.558 1.543 50 0 IDAARN O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000245255465 568913829 /nfs/dbraw/zinc/91/38/29/568913829.db2.gz IMVUCEVWNFCJAV-WGSAOQKQSA-N 0 0 443.573 1.910 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CC1 ZINC000245256972 568914101 /nfs/dbraw/zinc/91/41/01/568914101.db2.gz VCRSURRJSCAEHB-WKILWMFISA-N 0 0 448.545 1.012 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 ZINC000245257437 568914297 /nfs/dbraw/zinc/91/42/97/568914297.db2.gz ZUCVYEBWIGKQGX-BZUAXINKSA-N 0 0 442.559 1.207 50 0 IDAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000245327357 568914998 /nfs/dbraw/zinc/91/49/98/568914998.db2.gz OPNZIEVNEBUACP-DYXJXGRVSA-N 0 0 436.306 1.349 50 0 IDAARN CCCCCN1C(=O)NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N(CC)[C@H]2C)C1=O ZINC000245325637 568915030 /nfs/dbraw/zinc/91/50/30/568915030.db2.gz GSJPVWMHGHBZSS-FPTDNZKUSA-N 0 0 425.489 1.720 50 0 IDAARN CCCCCN1C(=O)NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N(CC)[C@H]2C)C1=O ZINC000245325639 568915105 /nfs/dbraw/zinc/91/51/05/568915105.db2.gz GSJPVWMHGHBZSS-RCDICMHDSA-N 0 0 425.489 1.720 50 0 IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccc(F)cc1 ZINC000001873270 568917256 /nfs/dbraw/zinc/91/72/56/568917256.db2.gz DNHVPMCSWWUSHB-LJQANCHMSA-N 0 0 448.332 1.805 50 0 IDAARN CCn1c(SCC(=O)N2CCC(C(N)=O)CC2)nnc1-c1sc2ncccc2c1N ZINC000064370103 568920054 /nfs/dbraw/zinc/92/00/54/568920054.db2.gz LIDLSPYOKVGIIP-UHFFFAOYSA-N 0 0 445.574 1.973 50 0 IDAARN CS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000089490218 568926768 /nfs/dbraw/zinc/92/67/68/568926768.db2.gz RKYINZCAYGIIIB-XLIONFOSSA-N 0 0 438.571 1.251 50 0 IDAARN Cn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCC(=O)NCc1cccc(F)c1)C2 ZINC000064565482 568932545 /nfs/dbraw/zinc/93/25/45/568932545.db2.gz AMDZJCHTSGHHKO-UHFFFAOYSA-N 0 0 441.507 1.777 50 0 IDAARN Cc1nn2cc(S(=O)(=O)NCc3ccccc3S(=O)(=O)N(C)C)cnc2c1Cl ZINC000089534518 568936574 /nfs/dbraw/zinc/93/65/74/568936574.db2.gz RUSBIBCWTYLTQB-UHFFFAOYSA-N 0 0 443.938 1.420 50 0 IDAARN O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1=O)N1CCN(c2ccccc2)CC1 ZINC000064606175 568939809 /nfs/dbraw/zinc/93/98/09/568939809.db2.gz VDIQXXFNZKDGSG-UHFFFAOYSA-N 0 0 439.491 1.851 50 0 IDAARN COc1ccc(OC)c(/C=C2\SC(=O)N(CCC(=O)N[C@H]3CSC[C@@H]3O)C2=O)c1 ZINC000054361022 568940736 /nfs/dbraw/zinc/94/07/36/568940736.db2.gz KIWVNOHTHHVOLH-RJLQUFMYSA-N 0 0 438.527 1.723 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)CC2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000036000055 568941832 /nfs/dbraw/zinc/94/18/32/568941832.db2.gz WZONAZDEVIOYHT-HXUWFJFHSA-N 0 0 432.496 1.893 50 0 IDAARN C[C@H](c1ccccc1)n1c(=O)c(C(=O)N2CCN(C)CC2)nn(-c2ccccc2F)c1=O ZINC000036085412 568947922 /nfs/dbraw/zinc/94/79/22/568947922.db2.gz KVBVHSGFCIQSGM-MRXNPFEDSA-N 0 0 437.475 1.530 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)N3CCN(C)CC3)nn(-c3ccc(F)cc3)c2=O)c1 ZINC000036085546 568948113 /nfs/dbraw/zinc/94/81/13/568948113.db2.gz GDJFBCKVVJMLCQ-UHFFFAOYSA-N 0 0 437.475 1.278 50 0 IDAARN COc1cccc(Cn2c(=O)c(C(=O)NC3CC3)nn(-c3ccc(Cl)cc3)c2=O)c1 ZINC000036085792 568948239 /nfs/dbraw/zinc/94/82/39/568948239.db2.gz AZVVALVTJAOLGU-UHFFFAOYSA-N 0 0 426.860 1.997 50 0 IDAARN COc1ccc(-n2nc(C(=O)NC3CC3)c(=O)n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000036087209 568948626 /nfs/dbraw/zinc/94/86/26/568948626.db2.gz XHSSEKCMHFACTF-UHFFFAOYSA-N 0 0 426.860 1.997 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCC(C)C)c(=O)n(Cc3cccc(OC)c3)c2=O)cc1 ZINC000036087286 568948834 /nfs/dbraw/zinc/94/88/34/568948834.db2.gz UBDCJPOLAFRTAE-UHFFFAOYSA-N 0 0 438.484 1.846 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3cccc(C)c3)c2=O)c1 ZINC000036086969 568949209 /nfs/dbraw/zinc/94/92/09/568949209.db2.gz KDAVYEQHZPUTOX-FQEVSTJZSA-N 0 0 434.496 1.968 50 0 IDAARN O=C(c1nn(-c2cccc(Cl)c2)c(=O)n(Cc2cccc(F)c2)c1=O)N1CCOCC1 ZINC000036087526 568949561 /nfs/dbraw/zinc/94/95/61/568949561.db2.gz YYSUGZXCLOBQHE-UHFFFAOYSA-N 0 0 444.850 1.707 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCOCC3)c(=O)n([C@H](C)c3ccccc3)c2=O)cc1F ZINC000036089033 568950057 /nfs/dbraw/zinc/95/00/57/568950057.db2.gz IRHYDWYZECIKRK-MRXNPFEDSA-N 0 0 438.459 1.923 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036089090 568950106 /nfs/dbraw/zinc/95/01/06/568950106.db2.gz YRXHLGOMOWBHSB-UHFFFAOYSA-N 0 0 446.866 1.920 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)N3CCN(C)CC3)nn(-c3cccc(F)c3)c2=O)cc1 ZINC000036088443 568950370 /nfs/dbraw/zinc/95/03/70/568950370.db2.gz FVATTYYAGQBHMT-UHFFFAOYSA-N 0 0 437.475 1.278 50 0 IDAARN CCCn1c(=O)c(C(=O)NCc2ccc(F)cc2)nn(-c2ccc(OC)c(OC)c2)c1=O ZINC000036088355 568950448 /nfs/dbraw/zinc/95/04/48/568950448.db2.gz LUSYSPYZMABQTD-UHFFFAOYSA-N 0 0 442.447 1.891 50 0 IDAARN CC(=O)Nc1ccc(C(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)cc1 ZINC000064755596 568951227 /nfs/dbraw/zinc/95/12/27/568951227.db2.gz NDMSLOAXMMWOMZ-UHFFFAOYSA-N 0 0 444.517 1.506 50 0 IDAARN CCCCNC(=O)Cn1c2c(C)nn(CC)c2c(=O)n(Cc2ccc(OC)cc2)c1=O ZINC000064775039 568954390 /nfs/dbraw/zinc/95/43/90/568954390.db2.gz TVBVGMSBHZSHKY-UHFFFAOYSA-N 0 0 427.505 1.661 50 0 IDAARN COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 ZINC000064818751 568965296 /nfs/dbraw/zinc/96/52/96/568965296.db2.gz HPYBESZBALYBDG-UHFFFAOYSA-N 0 0 449.460 1.418 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(C)=O)c2)cn1C ZINC000064818954 568965636 /nfs/dbraw/zinc/96/56/36/568965636.db2.gz GSTIRTYGEMBDNV-QGZVFWFLSA-N 0 0 433.486 1.806 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cl)cc2)cn1C ZINC000064818927 568965664 /nfs/dbraw/zinc/96/56/64/568965664.db2.gz IMXUQZIOWCHDLF-MRXNPFEDSA-N 0 0 439.921 1.935 50 0 IDAARN COc1ccccc1NC(=O)C1CCC(CNc2c(=O)c(=O)c2N2CCOCC2)CC1 ZINC000006752478 568973849 /nfs/dbraw/zinc/97/38/49/568973849.db2.gz PJZUREOXXJCYIW-UHFFFAOYSA-N 0 0 427.501 1.985 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000036210248 568974636 /nfs/dbraw/zinc/97/46/36/568974636.db2.gz FFQHIARYQBKGAF-OAQYLSRUSA-N 0 0 445.560 1.985 50 0 IDAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)COC)CC1 ZINC000036211365 568975300 /nfs/dbraw/zinc/97/53/00/568975300.db2.gz NZJXWVKVWRBYSI-HXUWFJFHSA-N 0 0 433.505 1.267 50 0 IDAARN COCC(=O)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)CC1 ZINC000036211325 568977102 /nfs/dbraw/zinc/97/71/02/568977102.db2.gz BIEZQHSWPMEIMA-NRFANRHFSA-N 0 0 445.516 1.411 50 0 IDAARN COCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036214078 568977142 /nfs/dbraw/zinc/97/71/42/568977142.db2.gz RJRBGAPTHRHWJH-LJQANCHMSA-N 0 0 448.564 1.776 50 0 IDAARN CCNC(=S)N1CCC([C@@H](NC(=O)c2ccccc2Cl)C(=O)NCCOC)CC1 ZINC000036214441 568977250 /nfs/dbraw/zinc/97/72/50/568977250.db2.gz FMTFXPMXADVSSF-QGZVFWFLSA-N 0 0 440.997 1.807 50 0 IDAARN CC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000036228998 568978421 /nfs/dbraw/zinc/97/84/21/568978421.db2.gz RMXBDFAGPSILAI-GXTWGEPZSA-N 0 0 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ZINC000064889910 568980565 /nfs/dbraw/zinc/98/05/65/568980565.db2.gz HMRMSISJMLHQAQ-OAHLLOKOSA-N 0 0 445.497 1.318 50 0 IDAARN C[C@H]1Oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)cc2NC1=O ZINC000064889807 568980582 /nfs/dbraw/zinc/98/05/82/568980582.db2.gz KHYGAPMGEBIXDW-LLVKDONJSA-N 0 0 439.877 1.799 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1C ZINC000064889924 568980645 /nfs/dbraw/zinc/98/06/45/568980645.db2.gz FRUKFFXTERUUMT-UHFFFAOYSA-N 0 0 429.498 1.781 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)s1 ZINC000064890047 568980763 /nfs/dbraw/zinc/98/07/63/568980763.db2.gz AYYNITBHAKXJPS-CYBMUJFWSA-N 0 0 435.527 1.923 50 0 IDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)s1 ZINC000064890046 568980767 /nfs/dbraw/zinc/98/07/67/568980767.db2.gz AYYNITBHAKXJPS-ZDUSSCGKSA-N 0 0 435.527 1.923 50 0 IDAARN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000064890064 568980783 /nfs/dbraw/zinc/98/07/83/568980783.db2.gz JBIXAHCQSOYELE-INIZCTEOSA-N 0 0 443.525 1.790 50 0 IDAARN O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064889935 568980828 /nfs/dbraw/zinc/98/08/28/568980828.db2.gz XADAKJKCCOXOBW-ZZXKWVIFSA-N 0 0 433.511 1.625 50 0 IDAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCN(c4ncccn4)CC3)n2)cc1 ZINC000064891577 568982608 /nfs/dbraw/zinc/98/26/08/568982608.db2.gz IZBQLUAPRLYNBB-UHFFFAOYSA-N 0 0 447.499 1.333 50 0 IDAARN Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCC4(CC3)OCCO4)n2)cc1C ZINC000064891959 568982912 /nfs/dbraw/zinc/98/29/12/568982912.db2.gz UEPCMBSDURFAMZ-UHFFFAOYSA-N 0 0 440.500 1.868 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C)cc3)ccc2=O)cc1 ZINC000064943364 568992444 /nfs/dbraw/zinc/99/24/44/568992444.db2.gz OTNTVWZORURHCI-UHFFFAOYSA-N 0 0 441.465 1.810 50 0 IDAARN Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000064943497 568992559 /nfs/dbraw/zinc/99/25/59/568992559.db2.gz HNSVURSPBJPXNH-UHFFFAOYSA-N 0 0 441.465 1.794 50 0 IDAARN Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)c1 ZINC000064943496 568992570 /nfs/dbraw/zinc/99/25/70/568992570.db2.gz OVIWMVLNGDMUSP-UHFFFAOYSA-N 0 0 427.438 1.752 50 0 IDAARN CCCN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(CC)n2)CC1 ZINC000064946894 568993916 /nfs/dbraw/zinc/99/39/16/568993916.db2.gz OPGYAUHKUBRNFD-UHFFFAOYSA-N 0 0 435.506 1.305 50 0 IDAARN CCN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2noc(C3CC3)n2)CC1 ZINC000064946933 568994134 /nfs/dbraw/zinc/99/41/34/568994134.db2.gz FOOPDLJRGUKFLD-UHFFFAOYSA-N 0 0 433.490 1.229 50 0 IDAARN CCN1C(=O)c2c(C(=O)NC3CC3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953561 568997547 /nfs/dbraw/zinc/99/75/47/568997547.db2.gz DQRWDFJCGGNANQ-JOCHJYFZSA-N 0 0 425.489 1.335 50 0 IDAARN CCCNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954094 568997707 /nfs/dbraw/zinc/99/77/07/568997707.db2.gz NEOSHDDSIWKXGD-QFIPXVFZSA-N 0 0 427.480 1.855 50 0 IDAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)NC3CC3)c2C(=O)N1C1CC1 ZINC000064954813 568998095 /nfs/dbraw/zinc/99/80/95/568998095.db2.gz AYUASLRVEALQOA-QHCPKHFHSA-N 0 0 437.500 1.477 50 0 IDAARN COC(=O)c1ccccc1NC(=O)NCCn1nnc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000064956769 568998726 /nfs/dbraw/zinc/99/87/26/568998726.db2.gz FCDGKBFSWYQYLQ-UHFFFAOYSA-N 0 0 446.489 1.290 50 0 IDAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000064958182 568999256 /nfs/dbraw/zinc/99/92/56/568999256.db2.gz ZQSRHAJLVNADLY-MRXNPFEDSA-N 0 0 434.518 1.910 50 0 IDAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000064958181 568999336 /nfs/dbraw/zinc/99/93/36/568999336.db2.gz ZQSRHAJLVNADLY-INIZCTEOSA-N 0 0 434.518 1.910 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1ccccc1)C(=O)N2 ZINC000064965696 569000879 /nfs/dbraw/zinc/00/08/79/569000879.db2.gz GVMZOJOMTFWJOI-UHFFFAOYSA-N 0 0 427.482 1.573 50 0 IDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1ccc(C)cc1)C(=O)N2 ZINC000064965698 569000892 /nfs/dbraw/zinc/00/08/92/569000892.db2.gz ZESQCIQJELVOIB-UHFFFAOYSA-N 0 0 441.509 1.882 50 0 IDAARN CCCNC(=O)CN1c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC[C@H]2C1=O ZINC000064966494 569001134 /nfs/dbraw/zinc/00/11/34/569001134.db2.gz DWRSCHFLTYUDPU-SFHVURJKSA-N 0 0 436.578 1.949 50 0 IDAARN CC(C)NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000064966574 569001350 /nfs/dbraw/zinc/00/13/50/569001350.db2.gz LWCIHPUORXOZHR-SFHVURJKSA-N 0 0 434.562 1.701 50 0 IDAARN CCN(CCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(C)c1=O)c1ccccc1 ZINC000064966968 569001575 /nfs/dbraw/zinc/00/15/75/569001575.db2.gz GVEKDUUWEFTBAJ-UHFFFAOYSA-N 0 0 425.464 1.717 50 0 IDAARN Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)N[C@H](C)C(=O)N1CCCCC1)c2=O ZINC000064970803 569076329 /nfs/dbraw/zinc/07/63/29/569076329.db2.gz XSOOMAFVNGAOMV-MRXNPFEDSA-N 0 0 436.516 1.716 50 0 IDAARN CC[C@@H](C(=O)NCCN1CCOCC1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971013 569076504 /nfs/dbraw/zinc/07/65/04/569076504.db2.gz GCROJAOZTGEJIJ-IBGZPJMESA-N 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O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036360753 569086701 /nfs/dbraw/zinc/08/67/01/569086701.db2.gz USJMXUJBZHLWAW-QGZVFWFLSA-N 0 0 428.514 1.535 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1 ZINC000036365628 569086848 /nfs/dbraw/zinc/08/68/48/569086848.db2.gz WQDVAYHAHHYPHS-OAHLLOKOSA-N 0 0 444.513 1.887 50 0 IDAARN CC(C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000036366520 569087188 /nfs/dbraw/zinc/08/71/88/569087188.db2.gz RBRTWTPEPVAFHB-GJZGRUSLSA-N 0 0 425.507 1.297 50 0 IDAARN Cc1ccnc(SCC(=O)N2CCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)n1 ZINC000065024385 569089630 /nfs/dbraw/zinc/08/96/30/569089630.db2.gz PHJACAJEUJIKLT-UHFFFAOYSA-N 0 0 446.577 1.711 50 0 IDAARN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)cc2sc1=O ZINC000065032923 569091740 /nfs/dbraw/zinc/09/17/40/569091740.db2.gz KAFHVKBTKMAAFB-MRXNPFEDSA-N 0 0 439.559 1.485 50 0 IDAARN Cc1nnc(SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccccc1 ZINC000036385103 569093037 /nfs/dbraw/zinc/09/30/37/569093037.db2.gz NIGXUSQCKWXLFT-UHFFFAOYSA-N 0 0 442.589 1.494 50 0 IDAARN COCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 ZINC000169758898 569093941 /nfs/dbraw/zinc/09/39/41/569093941.db2.gz RXAGHRQLFLMCAX-FQEVSTJZSA-N 0 0 442.516 1.778 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2c(=O)c3cnc(-c4ccccc4)nc3n(C)c2=O)c1 ZINC000065057376 569094942 /nfs/dbraw/zinc/09/49/42/569094942.db2.gz PYGKCQBZKRFRQT-UHFFFAOYSA-N 0 0 447.451 1.813 50 0 IDAARN Cn1ccnc1[C@@H](NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccc(Cl)cc1 ZINC000036396042 569098890 /nfs/dbraw/zinc/09/88/90/569098890.db2.gz COQVANQUJTWZQJ-INIZCTEOSA-N 0 0 429.893 1.783 50 0 IDAARN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000065075800 569099744 /nfs/dbraw/zinc/09/97/44/569099744.db2.gz MTYAYXSRAQWYKQ-UHFFFAOYSA-N 0 0 429.498 1.516 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cc2oc1=O ZINC000065075756 569099754 /nfs/dbraw/zinc/09/97/54/569099754.db2.gz LZNUYCJLUCMEPU-UHFFFAOYSA-N 0 0 445.453 1.007 50 0 IDAARN Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000065075786 569099755 /nfs/dbraw/zinc/09/97/55/569099755.db2.gz RPTXIBLVPNSDKL-UHFFFAOYSA-N 0 0 429.498 1.516 50 0 IDAARN O=C(Cn1nc(C(=O)N2CCc3ccccc32)ccc1=O)Nc1ccc2c(c1)OCCO2 ZINC000065076327 569100110 /nfs/dbraw/zinc/10/01/10/569100110.db2.gz QFGBPMIZPPDMPZ-UHFFFAOYSA-N 0 0 432.436 1.856 50 0 IDAARN O=C(c1ccc2c(c1)CCC(=O)N2)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000036397144 569100137 /nfs/dbraw/zinc/10/01/37/569100137.db2.gz GYRBMSUPNOUZHB-UHFFFAOYSA-N 0 0 435.452 1.996 50 0 IDAARN O=C(NCC1CCCCC1)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 ZINC000169772508 569101615 /nfs/dbraw/zinc/10/16/15/569101615.db2.gz IZSLEBKBNQVKQO-UHFFFAOYSA-N 0 0 447.557 1.996 50 0 IDAARN COc1cccc(-c2cc3c(=O)n(CCNC(=O)C4CCN(C(C)=O)CC4)ccn3n2)c1 ZINC000169777081 569102232 /nfs/dbraw/zinc/10/22/32/569102232.db2.gz QIEVFNPCILWANJ-UHFFFAOYSA-N 0 0 437.500 1.546 50 0 IDAARN Cc1cn2nc(C(=O)N3CCC(NC(=O)c4ccc5ccccc5n4)CC3)cc2c(=O)[nH]1 ZINC000169776998 569102296 /nfs/dbraw/zinc/10/22/96/569102296.db2.gz WGIPRLZIELKAQJ-UHFFFAOYSA-N 0 0 430.468 1.914 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)CC1 ZINC000169778370 569102620 /nfs/dbraw/zinc/10/26/20/569102620.db2.gz RUXJJXIZFVFZRQ-UHFFFAOYSA-N 0 0 429.521 1.970 50 0 IDAARN CC[C@H](C)NC(=O)Cn1cnc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1=O ZINC000065101364 569105397 /nfs/dbraw/zinc/10/53/97/569105397.db2.gz NQPBZJYVOXQSSU-LBPRGKRZSA-N 0 0 432.550 1.263 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)NCc4ccccc4)c(=O)c3s2)CC1 ZINC000065101038 569105730 /nfs/dbraw/zinc/10/57/30/569105730.db2.gz AXJIICSURKNNSK-UHFFFAOYSA-N 0 0 440.529 1.132 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)NC4CCCCC4)c(=O)c3s2)CC1 ZINC000065101046 569105741 /nfs/dbraw/zinc/10/57/41/569105741.db2.gz WHOOWXWMYJTRPQ-UHFFFAOYSA-N 0 0 432.550 1.264 50 0 IDAARN COc1ccc(CNC(=O)c2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)c(OC)c1 ZINC000065113959 569108571 /nfs/dbraw/zinc/10/85/71/569108571.db2.gz GZEUORQVYSUDEK-UHFFFAOYSA-N 0 0 446.485 1.934 50 0 IDAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)CC1 ZINC000036452472 569111306 /nfs/dbraw/zinc/11/13/06/569111306.db2.gz KUNRMXCEMLDMQJ-UHFFFAOYSA-N 0 0 442.541 1.767 50 0 IDAARN CCCCNC(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2OCC)CC1 ZINC000065152064 569111506 /nfs/dbraw/zinc/11/15/06/569111506.db2.gz XREWXLJPCOGEBI-UHFFFAOYSA-N 0 0 449.577 1.860 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C(=S)NC2CCCCC2)CC1 ZINC000006949567 569112477 /nfs/dbraw/zinc/11/24/77/569112477.db2.gz FGWIVGNVSMBGRC-UHFFFAOYSA-N 0 0 425.576 1.971 50 0 IDAARN COc1cccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(C)cc32)c1 ZINC000065183366 569113810 /nfs/dbraw/zinc/11/38/10/569113810.db2.gz CNAQYGAEUSYCCJ-UHFFFAOYSA-N 0 0 429.498 1.970 50 0 IDAARN Cc1ccc(N2N=C(C(=O)NCCN3CCOCC3)S(=O)(=O)c3cc(F)ccc32)cc1 ZINC000065183205 569113836 /nfs/dbraw/zinc/11/38/36/569113836.db2.gz IMKDDMZYUQEMLA-UHFFFAOYSA-N 0 0 446.504 1.821 50 0 IDAARN CCC(=O)N1CCc2cc(N3C[C@@H](C(=O)N4CCC5(CC4)OCCO5)CC3=O)ccc21 ZINC000065195397 569115460 /nfs/dbraw/zinc/11/54/60/569115460.db2.gz UIDDSUAWPVNIPY-KRWDZBQOSA-N 0 0 427.501 1.704 50 0 biogenic IDAARN O=C(CN1CCN(Cc2nc(-c3ccc(N4CCCC4)nc3)no2)CC1)N1CCCC1 ZINC000065215910 569116899 /nfs/dbraw/zinc/11/68/99/569116899.db2.gz ZWGVNLGPKRRHGP-UHFFFAOYSA-N 0 0 425.537 1.472 50 0 IDAARN CC(C)NC(=O)CN1CCN(Cc2nc(-c3ccc(N4CCCCC4)nc3)no2)CC1 ZINC000065215997 569116976 /nfs/dbraw/zinc/11/69/76/569116976.db2.gz BZBPRWNAVSXDEL-UHFFFAOYSA-N 0 0 427.553 1.764 50 0 IDAARN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H](C1)O2 ZINC000065225197 569117732 /nfs/dbraw/zinc/11/77/32/569117732.db2.gz DNHNVEKOSAJJPO-IYBDPMFKSA-N 0 0 426.491 1.288 50 0 IDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H](O)c1ccccc1 ZINC000036579887 569119788 /nfs/dbraw/zinc/11/97/88/569119788.db2.gz CDRUFNNWRBEJEQ-IAGOWNOFSA-N 0 0 425.441 1.466 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)C1 ZINC000065240006 569120717 /nfs/dbraw/zinc/12/07/17/569120717.db2.gz PQGYVWMRNDNBKE-OAHLLOKOSA-N 0 0 430.534 1.631 50 0 IDAARN COC(=O)CC[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000036589821 569121143 /nfs/dbraw/zinc/12/11/43/569121143.db2.gz ZUWJYCHFZLPDJI-APWZRJJASA-N 0 0 430.461 1.570 50 0 IDAARN COc1ccc(OCCN2CC(=O)N(c3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000036592925 569121264 /nfs/dbraw/zinc/12/12/64/569121264.db2.gz MSRXSRSKVDILFW-RTWAWAEBSA-N 0 0 446.525 1.597 50 0 IDAARN COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1N(C)CCc1ccncc1 ZINC000036594921 569121454 /nfs/dbraw/zinc/12/14/54/569121454.db2.gz UWUWPTMVACQKTE-YLJYHZDGSA-N 0 0 438.571 1.512 50 0 IDAARN CCc1nn(C)c(=O)c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)cn21 ZINC000065247233 569121928 /nfs/dbraw/zinc/12/19/28/569121928.db2.gz NAPBFUBFIYEUHT-UHFFFAOYSA-N 0 0 429.546 1.723 50 0 IDAARN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C1)C(=O)N2 ZINC000065249025 569121984 /nfs/dbraw/zinc/12/19/84/569121984.db2.gz HMRXJHPJNXLZQV-FQEVSTJZSA-N 0 0 429.454 1.425 50 0 biogenic IDAARN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C1)C(=O)N2C ZINC000065249448 569122038 /nfs/dbraw/zinc/12/20/38/569122038.db2.gz JPNGDBUJCCCUBD-OAQYLSRUSA-N 0 0 430.482 1.775 50 0 biogenic IDAARN COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2cn(C)nc2C)cc1OC ZINC000036615262 569122449 /nfs/dbraw/zinc/12/24/49/569122449.db2.gz MUNZDIZINBIYNY-UHFFFAOYSA-N 0 0 433.534 1.913 50 0 IDAARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 ZINC000524730042 569125899 /nfs/dbraw/zinc/12/58/99/569125899.db2.gz SHRIEBVKGSKUHS-GJYPPUQNSA-N 0 0 444.557 1.872 50 0 biogenic IDAARN COc1cc([C@@H](CC(=O)N[C@H]2C=CS(=O)(=O)C2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731796 569126640 /nfs/dbraw/zinc/12/66/40/569126640.db2.gz KQRGDAUIDRPQMW-UONOGXRCSA-N 0 0 435.454 1.317 50 0 biogenic IDAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCN1CCCC1=O ZINC000524732816 569126930 /nfs/dbraw/zinc/12/69/30/569126930.db2.gz PYIFDWRYRIQGJE-JOCHJYFZSA-N 0 0 432.480 1.930 50 0 IDAARN Cn1c(C(=O)NCCNC(=O)c2c3c(sc2-n2cnnn2)CCC3)cc2ccccc21 ZINC000524733096 569126974 /nfs/dbraw/zinc/12/69/74/569126974.db2.gz UFEFGDQZSXRHLP-UHFFFAOYSA-N 0 0 435.513 1.864 50 0 IDAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000065270951 569127713 /nfs/dbraw/zinc/12/77/13/569127713.db2.gz BKLTUHXMERQULP-UHFFFAOYSA-N 0 0 449.486 1.899 50 0 IDAARN C=C1C(N2CCC(NC(=O)N[C@H](C)C(=O)OC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271802 569128599 /nfs/dbraw/zinc/12/85/99/569128599.db2.gz OTWWISMTUHZAGP-CQSZACIVSA-N 0 0 434.518 1.485 50 0 IDAARN Cc1nnc2cc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)cnn12 ZINC000065282375 569130104 /nfs/dbraw/zinc/13/01/04/569130104.db2.gz CTMGWNASVHFELD-UHFFFAOYSA-N 0 0 437.323 1.706 50 0 IDAARN O=C(CSc1ncccn1)NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O ZINC000036653451 569130282 /nfs/dbraw/zinc/13/02/82/569130282.db2.gz YGMSUPWPVLINRD-UHFFFAOYSA-N 0 0 439.476 1.479 50 0 IDAARN CCOc1ccc(CNC(=O)Cn2ncc3c2ncnc3N2CCOCC2)cc1OCC ZINC000065295135 569131361 /nfs/dbraw/zinc/13/13/61/569131361.db2.gz IDRKNAZKEYHWGE-UHFFFAOYSA-N 0 0 440.504 1.777 50 0 IDAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCN2CCCCCC2=O)C(C)C)cc1 ZINC000036674340 569132250 /nfs/dbraw/zinc/13/22/50/569132250.db2.gz DFVPPUCQJIGEHD-FQEVSTJZSA-N 0 0 439.578 1.907 50 0 IDAARN CC[C@@]1(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292164 569132367 /nfs/dbraw/zinc/13/23/67/569132367.db2.gz FUXUJMQLGCQQJX-LJQANCHMSA-N 0 0 429.970 1.921 50 0 IDAARN Cn1nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c2c1NC(=O)C[C@@H]2c1cccs1 ZINC000036705634 569134345 /nfs/dbraw/zinc/13/43/45/569134345.db2.gz HVRHKKNJPYMIDU-GFCCVEGCSA-N 0 0 437.547 1.566 50 0 IDAARN CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 ZINC000036708281 569135049 /nfs/dbraw/zinc/13/50/49/569135049.db2.gz BTDGTRZFCNKGIE-UHFFFAOYSA-N 0 0 444.561 1.936 50 0 IDAARN CN1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCCCC4)cc3C(C)(C)C2=O)CC1 ZINC000065314782 569135585 /nfs/dbraw/zinc/13/55/85/569135585.db2.gz WBROFCHVVVVYRJ-UHFFFAOYSA-N 0 0 448.589 1.259 50 0 IDAARN COc1ccc(OC)c(-c2cc(N)c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)n2)c1 ZINC000036709046 569136137 /nfs/dbraw/zinc/13/61/37/569136137.db2.gz PILNKYBRFZJJOZ-UHFFFAOYSA-N 0 0 438.440 1.555 50 0 IDAARN Cc1nc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)sc1C(=O)N(C)C ZINC000036709243 569136275 /nfs/dbraw/zinc/13/62/75/569136275.db2.gz RSLJSCNLABVIJV-UHFFFAOYSA-N 0 0 446.514 1.732 50 0 IDAARN Cc1oc2ncn(Cc3cccnc3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1 ZINC000065329785 569136889 /nfs/dbraw/zinc/13/68/89/569136889.db2.gz AYPQSWHGLVPLIS-UHFFFAOYSA-N 0 0 440.441 1.036 50 0 IDAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000238831065 569137298 /nfs/dbraw/zinc/13/72/98/569137298.db2.gz FXGHNASYIFDUBS-UHFFFAOYSA-N 0 0 432.424 1.856 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NCCn3cnc4ccsc4c3=O)cc3c2N1CC3 ZINC000238847970 569137450 /nfs/dbraw/zinc/13/74/50/569137450.db2.gz ITVGHVQSJXICIU-UHFFFAOYSA-N 0 0 430.511 1.272 50 0 IDAARN O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000238937258 569138023 /nfs/dbraw/zinc/13/80/23/569138023.db2.gz UTEHXFJKOUNMJY-WKILWMFISA-N 0 0 436.513 1.152 50 0 IDAARN CCCCn1c2nc(CN(CCC3CCCCC3)CC(N)=O)n(CC)c2c(=O)[nH]c1=O ZINC000065566302 569139398 /nfs/dbraw/zinc/13/93/98/569139398.db2.gz WIZBLYGBUPICNC-UHFFFAOYSA-N 0 0 432.569 1.964 50 0 IDAARN Cn1cnnc1S(=O)(=O)C1CN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000239808074 569140098 /nfs/dbraw/zinc/14/00/98/569140098.db2.gz KGGXJYXDUOSFFZ-UHFFFAOYSA-N 0 0 436.490 1.468 50 0 IDAARN COC(=O)C[C@@]1(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)CCOC1 ZINC000170596761 569141721 /nfs/dbraw/zinc/14/17/21/569141721.db2.gz KVSJUDUXXFDPIX-VGSWGCGISA-N 0 0 431.489 1.801 50 0 IDAARN CCCCOCCOCCOCCS(=O)(=O)N1CCN(c2ccccc2OC)CC1 ZINC000170595711 569141749 /nfs/dbraw/zinc/14/17/49/569141749.db2.gz HLTFTEZRHOHPCD-UHFFFAOYSA-N 0 0 444.594 1.997 50 0 IDAARN COc1ccc(S(=O)(=O)NC[Si](C)(C)c2ccccc2)cc1[C@]1(C)NC(=O)NC1=O ZINC000170599225 569142377 /nfs/dbraw/zinc/14/23/77/569142377.db2.gz UBDZBTIRPLXLRP-FQEVSTJZSA-N 0 0 447.589 1.183 50 0 IDAARN CS(=O)(=O)c1ccc(NC(=O)CN2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1 ZINC000170599788 569142612 /nfs/dbraw/zinc/14/26/12/569142612.db2.gz NZPMLBRPLQRSQF-KRWDZBQOSA-N 0 0 442.497 1.213 50 0 IDAARN COC(=O)N1CCC([C@@H](C)NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 ZINC000170600796 569142923 /nfs/dbraw/zinc/14/29/23/569142923.db2.gz IFJJVLFHKNUTEN-MRXNPFEDSA-N 0 0 428.489 1.919 50 0 IDAARN NC(=O)C1=NO[C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C1 ZINC000170605989 569143893 /nfs/dbraw/zinc/14/38/93/569143893.db2.gz HRYQGJQUSUNLDL-FUHWJXTLSA-N 0 0 428.876 1.428 50 0 IDAARN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000170611113 569145101 /nfs/dbraw/zinc/14/51/01/569145101.db2.gz YKNWFAUTFFHIIC-ZFWWWQNUSA-N 0 0 432.926 1.600 50 0 IDAARN CN(C)S(=O)(=O)Nc1ccc2c(c1)c1c(n2S(=O)(=O)N(C)C)CC(C)(C)CC1=O ZINC000008753887 569145633 /nfs/dbraw/zinc/14/56/33/569145633.db2.gz KHARIJHSMDBTCX-UHFFFAOYSA-N 0 0 442.563 1.669 50 0 IDAARN Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)[C@H](NC(=O)COc1ccccc1)C(C)C ZINC000170616166 569146906 /nfs/dbraw/zinc/14/69/06/569146906.db2.gz RTLGEJINJJXCCQ-OAQYLSRUSA-N 0 0 448.541 1.919 50 0 IDAARN CC(=O)Nc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000170621241 569147589 /nfs/dbraw/zinc/14/75/89/569147589.db2.gz MIQWEIAUQCXMTK-UHFFFAOYSA-N 0 0 431.514 1.875 50 0 IDAARN COc1ccc(OC[C@H](O)Cn2c(SC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000170624818 569148168 /nfs/dbraw/zinc/14/81/68/569148168.db2.gz HRSPIEJIHVFTRK-CYBMUJFWSA-N 0 0 434.518 1.383 50 0 IDAARN Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000009908578 569150541 /nfs/dbraw/zinc/15/05/41/569150541.db2.gz NZBRKSAMGIMKSG-XOBRGWDASA-N 0 0 433.486 1.707 50 0 IDAARN COc1cc2c(=O)n(CCO)c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2cc1OC ZINC000071283683 569150821 /nfs/dbraw/zinc/15/08/21/569150821.db2.gz CKGNEDCWZHLZNG-UHFFFAOYSA-N 0 0 433.848 1.465 50 0 IDAARN O=C(NCc1ccncc1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219894 569152789 /nfs/dbraw/zinc/15/27/89/569152789.db2.gz NSTCBMNDGOJGBG-UHFFFAOYSA-N 0 0 445.888 1.604 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010216349 569153163 /nfs/dbraw/zinc/15/31/63/569153163.db2.gz GOMDJETZEBZGKJ-UHFFFAOYSA-N 0 0 427.486 1.630 50 0 IDAARN COc1ccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 ZINC000010216292 569153167 /nfs/dbraw/zinc/15/31/67/569153167.db2.gz QZDRPNGZGOQRGR-UHFFFAOYSA-N 0 0 430.486 1.689 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)CSc2c(C)cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000010216344 569153170 /nfs/dbraw/zinc/15/31/70/569153170.db2.gz DDBBDDXVWNZKRL-UHFFFAOYSA-N 0 0 427.486 1.630 50 0 IDAARN CC(=O)N1CCc2c(sc(NC(=O)CCCS(=O)(=O)c3ccccc3)c2C(N)=O)C1 ZINC000010218334 569153524 /nfs/dbraw/zinc/15/35/24/569153524.db2.gz SAWVMMHOKHMXHW-UHFFFAOYSA-N 0 0 449.554 1.944 50 0 IDAARN COc1cccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)c1 ZINC000010219715 569153859 /nfs/dbraw/zinc/15/38/59/569153859.db2.gz BBCGVKLHQZLXIQ-UHFFFAOYSA-N 0 0 440.481 1.564 50 0 IDAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-n2ncc3c2nc[nH]c3=O)C1 ZINC000071795550 569154337 /nfs/dbraw/zinc/15/43/37/569154337.db2.gz TXUMHUXSNKAMCE-CQSZACIVSA-N 0 0 444.517 1.499 50 0 IDAARN COc1ccc(OC[C@@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000010385769 569154397 /nfs/dbraw/zinc/15/43/97/569154397.db2.gz DNWBISQKNSCGSA-HNNXBMFYSA-N 0 0 445.520 1.340 50 0 IDAARN CC(C)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000010385979 569154465 /nfs/dbraw/zinc/15/44/65/569154465.db2.gz LSMOJTYRRXAOKN-AWEZNQCLSA-N 0 0 435.912 1.595 50 0 IDAARN CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000010385145 569154584 /nfs/dbraw/zinc/15/45/84/569154584.db2.gz FXMCIPWISBRPHE-HNNXBMFYSA-N 0 0 447.923 1.753 50 0 IDAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000071818933 569154680 /nfs/dbraw/zinc/15/46/80/569154680.db2.gz XLFMQWRYWBHHCP-KBMXLJTQSA-N 0 0 430.892 1.863 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc4nsnc43)CC2)cc1 ZINC000013324625 569155040 /nfs/dbraw/zinc/15/50/40/569155040.db2.gz AEHCFCOIIVHGKJ-UHFFFAOYSA-N 0 0 447.542 1.645 50 0 IDAARN Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)NCCc1cccs1 ZINC000013729287 569156898 /nfs/dbraw/zinc/15/68/98/569156898.db2.gz OYULNAQRMICXSV-CYBMUJFWSA-N 0 0 428.557 1.890 50 0 IDAARN COC(=O)c1c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2c1CCN(C(C)=O)C2 ZINC000013790350 569157008 /nfs/dbraw/zinc/15/70/08/569157008.db2.gz LNUVFMPXKBTELQ-LBPRGKRZSA-N 0 0 443.547 1.049 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000014232636 569158218 /nfs/dbraw/zinc/15/82/18/569158218.db2.gz CGBMZFQYNYXCNW-BBRMVZONSA-N 0 0 433.486 1.268 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000014342756 569158611 /nfs/dbraw/zinc/15/86/11/569158611.db2.gz ZLFHOMGPQHTUJJ-UHFFFAOYSA-N 0 0 448.520 1.466 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nc1N ZINC000014636837 569159853 /nfs/dbraw/zinc/15/98/53/569159853.db2.gz PCHCGQUPCNZAPY-ZDUSSCGKSA-N 0 0 442.563 1.286 50 0 IDAARN CC(C)(C(=O)Nc1ccc(C(N)=O)nn1)S(=O)(=O)c1ccc(Br)cc1 ZINC000089621019 569159919 /nfs/dbraw/zinc/15/99/19/569159919.db2.gz JZQFNZBRFGQFHC-UHFFFAOYSA-N 0 0 427.280 1.529 50 0 IDAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H]4[C@H](C3)OCCN4C)ccc2C)cc1 ZINC000089651311 569160697 /nfs/dbraw/zinc/16/06/97/569160697.db2.gz DNJALXHLHKTVCD-UXHICEINSA-N 0 0 445.541 1.959 50 0 IDAARN COc1ccc(NC(=O)[C@@H](C)OC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1OC ZINC000016772182 569161708 /nfs/dbraw/zinc/16/17/08/569161708.db2.gz KAROFHGUJLJTHW-GFCCVEGCSA-N 0 0 447.469 1.313 50 0 IDAARN CCOc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(C(C)=O)CC2)cc1 ZINC000016837647 569162632 /nfs/dbraw/zinc/16/26/32/569162632.db2.gz BRRSGCONYAZHQZ-UHFFFAOYSA-N 0 0 442.516 1.558 50 0 IDAARN O=C([C@@H](c1ccccc1F)N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000089847740 569165892 /nfs/dbraw/zinc/16/58/92/569165892.db2.gz QECFCUSBLOUNAM-OAQYLSRUSA-N 0 0 447.532 1.732 50 0 IDAARN COc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2=O)cc1OC ZINC000016913711 569165927 /nfs/dbraw/zinc/16/59/27/569165927.db2.gz SAJNTHMNENYYNQ-OAHLLOKOSA-N 0 0 447.513 1.489 50 0 IDAARN C[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)CNC(=O)OC(C)(C)C ZINC000089900673 569167056 /nfs/dbraw/zinc/16/70/56/569167056.db2.gz TVWIWCFDOHSGPL-GFCCVEGCSA-N 0 0 435.493 1.910 50 0 IDAARN COC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000089914345 569167437 /nfs/dbraw/zinc/16/74/37/569167437.db2.gz WWFWTKJEQCVVTF-SZNDQCEHSA-N 0 0 434.395 1.958 50 0 IDAARN COC(=O)C1(NC(=O)CN2C(=O)N[C@@](C)(CCc3ccc(OC)cc3)C2=O)CCCCC1 ZINC000089914314 569167478 /nfs/dbraw/zinc/16/74/78/569167478.db2.gz TVTMCTOVMGWYMR-QFIPXVFZSA-N 0 0 445.516 1.930 50 0 IDAARN COc1cccc(-n2nnc3c2ncn(CC(=O)NCc2ccc4c(c2)OCO4)c3=O)c1 ZINC000016960693 569168251 /nfs/dbraw/zinc/16/82/51/569168251.db2.gz NOHMKQXKOWNRGJ-UHFFFAOYSA-N 0 0 434.412 1.031 50 0 IDAARN COc1cccc(-n2nnc3c2ncn(CC(=O)Nc2ccc4c(c2)OCCO4)c3=O)c1 ZINC000016960697 569168260 /nfs/dbraw/zinc/16/82/60/569168260.db2.gz KCHDNVQRFVKHKW-UHFFFAOYSA-N 0 0 434.412 1.396 50 0 IDAARN CC[C@H](SC)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000089941912 569168372 /nfs/dbraw/zinc/16/83/72/569168372.db2.gz BGSFDKHCPKRCJC-HNNXBMFYSA-N 0 0 446.547 1.339 50 0 IDAARN CCCCCCn1cc(S(=O)(=O)N2CCN(c3nccs3)CC2)c(=O)[nH]c1=O ZINC000089953403 569168668 /nfs/dbraw/zinc/16/86/68/569168668.db2.gz YPVMISDRDKIEEL-UHFFFAOYSA-N 0 0 427.552 1.084 50 0 IDAARN Cc1cc(C)n(C(=O)c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)n[nH]2)n1 ZINC000017011507 569170312 /nfs/dbraw/zinc/17/03/12/569170312.db2.gz IXICIGNVOSBUDL-UHFFFAOYSA-N 0 0 432.481 1.562 50 0 IDAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1S[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000017039291 569171371 /nfs/dbraw/zinc/17/13/71/569171371.db2.gz QEMLTCVMXBCCPJ-JTQLQIEISA-N 0 0 427.552 1.809 50 0 IDAARN Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)c1 ZINC000017135559 569174384 /nfs/dbraw/zinc/17/43/84/569174384.db2.gz WZOGTKCONMSNAS-UHFFFAOYSA-N 0 0 426.502 1.258 50 0 IDAARN O=C(NCc1cccnc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000017169548 569175294 /nfs/dbraw/zinc/17/52/94/569175294.db2.gz DVMCMOOVJKTNCY-GOSISDBHSA-N 0 0 431.445 1.761 50 0 IDAARN O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000017178803 569175623 /nfs/dbraw/zinc/17/56/23/569175623.db2.gz ATAOHQYQAWCIFR-FQEVSTJZSA-N 0 0 439.512 1.654 50 0 IDAARN O=C(NCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178522 569175624 /nfs/dbraw/zinc/17/56/24/569175624.db2.gz KNRRABRWGGRAQL-NRFANRHFSA-N 0 0 425.485 1.976 50 0 IDAARN COc1ccccc1OC[C@@H](O)CN1CCN(C[C@H](O)COc2ccccc2OC)CC1 ZINC000019913296 569181023 /nfs/dbraw/zinc/18/10/23/569181023.db2.gz SBVOXBJBJCUZFP-PMACEKPBSA-N 0 0 446.544 1.501 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](Nc2cccc(C)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000252394314 569183175 /nfs/dbraw/zinc/18/31/75/569183175.db2.gz GMHYNAOFGRHEHB-AFDCHOCNSA-N 0 0 437.445 1.490 50 0 IDAARN COc1cc(OC)cc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1 ZINC000252445520 569183905 /nfs/dbraw/zinc/18/39/05/569183905.db2.gz SQYPKMUEQKHOLC-IZZGNVEXSA-N 0 0 448.475 1.942 50 0 IDAARN Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](CCC(=O)[O-])[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000002134324 569185188 /nfs/dbraw/zinc/18/51/88/569185188.db2.gz AHGOZVVUHWJLQW-FAODYONGSA-N 0 0 425.485 1.913 50 0 biogenic IDAARN Cn1c2nc(N3CCCC3)n(CCSc3nc4ccccc4[nH]3)c2c(=O)n(C)c1=O ZINC000000808381 569185408 /nfs/dbraw/zinc/18/54/08/569185408.db2.gz NGGNGATYALLBCX-UHFFFAOYSA-N 0 0 425.518 1.703 50 0 IDAARN COc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)cc1 ZINC000002145026 569186664 /nfs/dbraw/zinc/18/66/64/569186664.db2.gz LZEPRXPUFTYHSP-INIZCTEOSA-N 0 0 426.381 1.517 50 0 biogenic IDAARN CC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 ZINC000034677730 569189486 /nfs/dbraw/zinc/18/94/86/569189486.db2.gz MFOJALSIWAEXEB-FQEVSTJZSA-N 0 0 427.549 1.526 50 0 IDAARN Cc1cccc(S(=O)(=O)NCCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1 ZINC000252523046 569189577 /nfs/dbraw/zinc/18/95/77/569189577.db2.gz BSFRMZFDGMATCW-UHFFFAOYSA-N 0 0 445.541 1.758 50 0 IDAARN O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000252527772 569189675 /nfs/dbraw/zinc/18/96/75/569189675.db2.gz DIGJCLQWPVZGLW-SQNIBIBYSA-N 0 0 447.561 1.129 50 0 IDAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)NCCc3ccc(O)cc3)C2=O)cc1OC ZINC000252536807 569189994 /nfs/dbraw/zinc/18/99/94/569189994.db2.gz JPJYWGBSVNGDLW-QGZVFWFLSA-N 0 0 427.457 1.783 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1OC ZINC000252539855 569190229 /nfs/dbraw/zinc/19/02/29/569190229.db2.gz ONNSVJFGHIGOAP-ROUUACIJSA-N 0 0 441.484 1.611 50 0 IDAARN Cc1cccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)c1 ZINC000002192531 569190762 /nfs/dbraw/zinc/19/07/62/569190762.db2.gz BWEKLYWSBNAZDB-HXUWFJFHSA-N 0 0 444.369 1.974 50 0 IDAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)c3ccccc3)C2=O)cc1OC ZINC000252571285 569191050 /nfs/dbraw/zinc/19/10/50/569191050.db2.gz XRHKKAFHXWAIGY-ROUUACIJSA-N 0 0 441.484 1.959 50 0 IDAARN COc1ccc(-n2c(=O)c3ccc(Cl)cc3n(CC(=O)N3CCOCC3)c2=O)cc1 ZINC000037399491 569194602 /nfs/dbraw/zinc/19/46/02/569194602.db2.gz IFZPBFNKTPIIKS-UHFFFAOYSA-N 0 0 429.860 1.673 50 0 IDAARN CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)CC(=O)NC(C)(C)C ZINC000007683277 569197449 /nfs/dbraw/zinc/19/74/49/569197449.db2.gz WXYLHGQGBNBKRX-QFIPXVFZSA-N 0 0 431.537 1.198 50 0 IDAARN O=C(COc1cccc(F)c1)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)CO2 ZINC000037519743 569198160 /nfs/dbraw/zinc/19/81/60/569198160.db2.gz QJLUYWNMQWOHKI-UHFFFAOYSA-N 0 0 428.416 1.672 50 0 IDAARN COCC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000037524950 569198844 /nfs/dbraw/zinc/19/88/44/569198844.db2.gz FVSTWXOMFZVJOV-UHFFFAOYSA-N 0 0 437.544 1.775 50 0 IDAARN COc1ccc(C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)c(O)c1 ZINC000007778942 569202298 /nfs/dbraw/zinc/20/22/98/569202298.db2.gz WMLJFXGZJPOSCS-HNNXBMFYSA-N 0 0 425.503 1.906 50 0 IDAARN CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC[Si](C)(C)c2ccccc2)cc1 ZINC000195567541 569204324 /nfs/dbraw/zinc/20/43/24/569204324.db2.gz IXPOOSCMLCYTJV-UHFFFAOYSA-N 0 0 441.647 1.933 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000002224170 569204914 /nfs/dbraw/zinc/20/49/14/569204914.db2.gz AKVXVIMLPXYVEW-QGZVFWFLSA-N 0 0 435.484 1.784 50 0 IDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252670602 569209879 /nfs/dbraw/zinc/20/98/79/569209879.db2.gz LCWAIOOZNMSNSX-IBGZPJMESA-N 0 0 438.509 1.540 50 0 IDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252670603 569209966 /nfs/dbraw/zinc/20/99/66/569209966.db2.gz LCWAIOOZNMSNSX-LJQANCHMSA-N 0 0 438.509 1.540 50 0 IDAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)cc1 ZINC000002263434 569215935 /nfs/dbraw/zinc/21/59/35/569215935.db2.gz WWNFUHZASXBTLK-UHFFFAOYSA-N 0 0 448.530 1.436 50 0 IDAARN COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)CC2=O)c1 ZINC000253393218 569264406 /nfs/dbraw/zinc/26/44/06/569264406.db2.gz YOSGCFUUMCMLGT-GCKMJXCFSA-N 0 0 432.517 1.741 50 0 IDAARN Cc1nc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1C ZINC000253398204 569264706 /nfs/dbraw/zinc/26/47/06/569264706.db2.gz GSLVDVBYHFEWEO-UHFFFAOYSA-N 0 0 438.984 1.529 50 0 IDAARN CCc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)s1 ZINC000253405836 569265234 /nfs/dbraw/zinc/26/52/34/569265234.db2.gz TVMYLDOVHPEXJY-UHFFFAOYSA-N 0 0 432.593 1.438 50 0 IDAARN COCCn1ccc2ccc(NC(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)cc21 ZINC000253424160 569267128 /nfs/dbraw/zinc/26/71/28/569267128.db2.gz BCLHCBCJJNWCPS-UHFFFAOYSA-N 0 0 432.506 1.549 50 0 IDAARN COc1ccccc1[C@H](CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)N1CCCC1 ZINC000253427638 569267496 /nfs/dbraw/zinc/26/74/96/569267496.db2.gz GIMCDWLYYGITRR-WMZOPIPTSA-N 0 0 430.592 1.576 50 0 IDAARN O=C([O-])CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000002338686 569274951 /nfs/dbraw/zinc/27/49/51/569274951.db2.gz ITLLBGBJIXZGKY-QYUDBREXSA-N 0 0 437.427 1.611 50 0 IDAARN O=C(N[C@H](Cn1nccn1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000253472756 569282782 /nfs/dbraw/zinc/28/27/82/569282782.db2.gz PGNHJHSFWKOYOG-HXUWFJFHSA-N 0 0 441.513 1.470 50 0 IDAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253500143 569283413 /nfs/dbraw/zinc/28/34/13/569283413.db2.gz XVGNADCCCZEHRJ-JRSUCEMESA-N 0 0 438.429 1.457 50 0 biogenic IDAARN CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCOC2)CC1 ZINC000253630166 569284408 /nfs/dbraw/zinc/28/44/08/569284408.db2.gz SZNJUQPAGBTHAG-GOSISDBHSA-N 0 0 429.569 1.311 50 0 IDAARN CCOC(=O)C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)C2NN1 ZINC000018169805 569285908 /nfs/dbraw/zinc/28/59/08/569285908.db2.gz PEGQUHIGERVKBN-VHSXEESVSA-N 0 0 433.774 1.042 50 0 IDAARN CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(S(C)(=O)=O)CC3)C2=O)cc1 ZINC000252489289 569287987 /nfs/dbraw/zinc/28/79/87/569287987.db2.gz JNQONSAOZZOTFF-KRWDZBQOSA-N 0 0 436.534 1.323 50 0 IDAARN CCOC(=O)/C=C1\SCC(=O)N1CCSc1n[nH]c(=O)n1CCc1ccccc1 ZINC000009387627 569295980 /nfs/dbraw/zinc/29/59/80/569295980.db2.gz ZZCGNCLKTWYUPX-VBKFSLOCSA-N 0 0 434.543 1.886 50 0 IDAARN Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000010022436 569299156 /nfs/dbraw/zinc/29/91/56/569299156.db2.gz STUSTZHLQJCGLY-CMDGGOBGSA-N 0 0 432.454 1.796 50 0 IDAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCCCC1 ZINC000012945888 569305102 /nfs/dbraw/zinc/30/51/02/569305102.db2.gz HJZLKAPMWQYULF-OAHLLOKOSA-N 0 0 440.518 1.461 50 0 IDAARN NC(=O)c1cc(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(N)=O)c1 ZINC000013026689 569307241 /nfs/dbraw/zinc/30/72/41/569307241.db2.gz USNQVUNJAZPABE-UHFFFAOYSA-N 0 0 445.284 1.108 50 0 IDAARN CC(=O)c1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)OCO2 ZINC000013037832 569307597 /nfs/dbraw/zinc/30/75/97/569307597.db2.gz RGMLBDWJBWLCJV-UHFFFAOYSA-N 0 0 432.454 1.891 50 0 IDAARN COCCN(C(=O)CCC(=O)Nc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013041176 569308104 /nfs/dbraw/zinc/30/81/04/569308104.db2.gz UYYOGBXUQPWLSM-UHFFFAOYSA-N 0 0 431.493 1.173 50 0 IDAARN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013057635 569308426 /nfs/dbraw/zinc/30/84/26/569308426.db2.gz RJUJVONPUDWZPM-JTQLQIEISA-N 0 0 444.435 1.649 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)cc1 ZINC000013063550 569308758 /nfs/dbraw/zinc/30/87/58/569308758.db2.gz WZHTWTLEZHFJTL-LAUBAEHRSA-N 0 0 434.562 1.760 50 0 IDAARN CCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1N)[C@@H]1CCS(=O)(=O)C1 ZINC000013069409 569308852 /nfs/dbraw/zinc/30/88/52/569308852.db2.gz HPXSDBNFXPMHLY-CYBMUJFWSA-N 0 0 439.563 1.185 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)CC(=O)Nc1ccc(C)cc1 ZINC000013096104 569309489 /nfs/dbraw/zinc/30/94/89/569309489.db2.gz CQQULFPJJUKVKX-UHFFFAOYSA-N 0 0 448.545 1.763 50 0 IDAARN CCC[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O ZINC000013097751 569309810 /nfs/dbraw/zinc/30/98/10/569309810.db2.gz YXXRDPQGCKZYGJ-LJQANCHMSA-N 0 0 430.530 1.824 50 0 IDAARN COc1ccc(CCN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC ZINC000013115825 569310897 /nfs/dbraw/zinc/31/08/97/569310897.db2.gz OXVNHVMQCLAZQE-UHFFFAOYSA-N 0 0 434.562 1.714 50 0 IDAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000013164614 569312507 /nfs/dbraw/zinc/31/25/07/569312507.db2.gz GVTMGPSQYXAJBC-PEBXRYMYSA-N 0 0 439.424 1.139 50 0 IDAARN COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1OC ZINC000013371181 569314986 /nfs/dbraw/zinc/31/49/86/569314986.db2.gz RUVONYWNWWMWGE-BBRMVZONSA-N 0 0 431.557 1.494 50 0 IDAARN CCOC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)CC1 ZINC000013371897 569315005 /nfs/dbraw/zinc/31/50/05/569315005.db2.gz MXSHAZLOVLCYLF-ROUUACIJSA-N 0 0 447.550 1.349 50 0 IDAARN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc3c(c2)OCO3)ccc1F ZINC000013371840 569315031 /nfs/dbraw/zinc/31/50/31/569315031.db2.gz LTCZEPLJBFCOEQ-LPHOPBHVSA-N 0 0 441.502 1.592 50 0 IDAARN COc1cccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000013371509 569315052 /nfs/dbraw/zinc/31/50/52/569315052.db2.gz QRJALOSGTYJRFC-OALUTQOASA-N 0 0 427.519 1.606 50 0 IDAARN COC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013371961 569315091 /nfs/dbraw/zinc/31/50/91/569315091.db2.gz GDFWWUHATLKVOA-HOTGVXAUSA-N 0 0 435.951 1.164 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1CCN1CCOCC1 ZINC000019201014 569316584 /nfs/dbraw/zinc/31/65/84/569316584.db2.gz CWNDNMIQRNPCSL-RMKNXTFCSA-N 0 0 448.527 1.503 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(Br)c1 ZINC000328593824 569317453 /nfs/dbraw/zinc/31/74/53/569317453.db2.gz OESNHXIGHUFETQ-UHFFFAOYSA-N 0 0 449.352 1.176 50 0 IDAARN COC(=O)Cc1csc(N(C)C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)n1 ZINC000078813215 569319214 /nfs/dbraw/zinc/31/92/14/569319214.db2.gz JWJOTRQMLSEXPM-CQSZACIVSA-N 0 0 443.481 1.910 50 0 IDAARN O=C(NCC1(N2CCOCC2)CCCC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000078879390 569320008 /nfs/dbraw/zinc/32/00/08/569320008.db2.gz QAKFIWUUTGQGOF-UHFFFAOYSA-N 0 0 427.592 1.907 50 0 IDAARN CC(C)(C)c1nc(CN2CCCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)no1 ZINC000078878733 569320011 /nfs/dbraw/zinc/32/00/11/569320011.db2.gz ORUYQRXOWDSXID-UHFFFAOYSA-N 0 0 431.512 1.899 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1Br ZINC000078932606 569320209 /nfs/dbraw/zinc/32/02/09/569320209.db2.gz VLALNNIMEURURO-LBPRGKRZSA-N 0 0 430.367 1.566 50 0 IDAARN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1NC(=O)N[C@H]1CCC[C@@H]1C(N)=O ZINC000078947526 569320538 /nfs/dbraw/zinc/32/05/38/569320538.db2.gz WAPZNVFUDKASKT-JONQDZQNSA-N 0 0 430.509 1.546 50 0 IDAARN CCCNC(=O)Nc1cccc(OC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000078989462 569321492 /nfs/dbraw/zinc/32/14/92/569321492.db2.gz ABSCKOLRDORZGB-ZDUSSCGKSA-N 0 0 437.522 1.841 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3c[nH]c(=O)cc3C)CC2=O)cc1 ZINC000079015499 569321965 /nfs/dbraw/zinc/32/19/65/569321965.db2.gz YKOUJZNJHZVWBZ-HNNXBMFYSA-N 0 0 446.529 1.705 50 0 IDAARN O=C(CNC(=O)c1ccc2n[nH]nc2c1)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000079019307 569322206 /nfs/dbraw/zinc/32/22/06/569322206.db2.gz SLUYLLIFDZIMOU-UHFFFAOYSA-N 0 0 430.871 1.825 50 0 IDAARN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NCc2nncn2C2CC2)c1 ZINC000079023692 569322604 /nfs/dbraw/zinc/32/26/04/569322604.db2.gz ZANVYAXJMKZNLB-UHFFFAOYSA-N 0 0 448.549 1.515 50 0 IDAARN CCC(=O)N1CSC[C@H]1C(=O)N[C@@](C)(CC)CNC(=O)[C@H]1CSCN1C(=O)CC ZINC000079056153 569323624 /nfs/dbraw/zinc/32/36/24/569323624.db2.gz OTQLZSFWVWFVHN-TYILLQQXSA-N 0 0 444.623 1.011 50 0 IDAARN CCN(CC)C(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1)c(=O)n2C ZINC000019625735 569323797 /nfs/dbraw/zinc/32/37/97/569323797.db2.gz OORGQJMQSVILJI-UHFFFAOYSA-N 0 0 441.463 1.663 50 0 IDAARN CS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1F ZINC000079071998 569324600 /nfs/dbraw/zinc/32/46/00/569324600.db2.gz WDIHAEYVKXNPME-UHFFFAOYSA-N 0 0 444.481 1.515 50 0 IDAARN Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1F ZINC000079105805 569325617 /nfs/dbraw/zinc/32/56/17/569325617.db2.gz SPBKKHQYKRPJEP-UHFFFAOYSA-N 0 0 434.449 1.428 50 0 IDAARN CCOC(=O)CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C ZINC000079111124 569326149 /nfs/dbraw/zinc/32/61/49/569326149.db2.gz LAONIAJBKOLTQW-UHFFFAOYSA-N 0 0 441.550 1.310 50 0 IDAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019796700 569329527 /nfs/dbraw/zinc/32/95/27/569329527.db2.gz NGKKJRWNENDLBK-UHFFFAOYSA-N 0 0 449.554 1.260 50 0 IDAARN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCC2(CC1)OCCO2 ZINC000019797269 569329678 /nfs/dbraw/zinc/32/96/78/569329678.db2.gz KAHWVLRAKXAAQC-HOTGVXAUSA-N 0 0 435.951 1.118 50 0 IDAARN O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCN(c2ccccn2)CC1 ZINC000019797442 569329685 /nfs/dbraw/zinc/32/96/85/569329685.db2.gz BGYOJXQDWQUUMQ-UHFFFAOYSA-N 0 0 434.905 1.764 50 0 IDAARN O=C(c1cc(Br)ccc1-n1cnnn1)N1CCN(CCc2ccccn2)CC1 ZINC000079478630 569330776 /nfs/dbraw/zinc/33/07/76/569330776.db2.gz GZYHDWCGJGMHRM-UHFFFAOYSA-N 0 0 442.321 1.820 50 0 IDAARN CN(C)S(=O)(=O)N1CCN(Cn2nc(-c3cccc4ccccc43)ccc2=O)CC1 ZINC000079488901 569331217 /nfs/dbraw/zinc/33/12/17/569331217.db2.gz IIPXVMBPWMLDKM-UHFFFAOYSA-N 0 0 427.530 1.445 50 0 IDAARN Cc1cc(C)nc(Nc2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)n1 ZINC000079489023 569331309 /nfs/dbraw/zinc/33/13/09/569331309.db2.gz BSRATLJNWPXRLH-IBGZPJMESA-N 0 0 429.546 1.782 50 0 IDAARN COc1ccc([C@H](N2CCOCC2)P(=O)(N2CCOCC2)N2CCOCC2)cc1 ZINC000020030256 569332516 /nfs/dbraw/zinc/33/25/16/569332516.db2.gz PXAMXYGYXPEGOM-HXUWFJFHSA-N 0 0 425.466 1.884 50 0 IDAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccc(O)cc5)CC4)C3)ncn2)n1 ZINC000390826240 569353882 /nfs/dbraw/zinc/35/38/82/569353882.db2.gz GDGVXBBPKOBLOA-UHFFFAOYSA-N 0 0 433.516 1.770 50 0 IDAARN COc1ccc(CC(=O)NCCn2cc(-c3nc(-c4ccccn4)no3)nn2)cc1OC ZINC000390828049 569353929 /nfs/dbraw/zinc/35/39/29/569353929.db2.gz NYCVCDNIUKGLCP-UHFFFAOYSA-N 0 0 435.444 1.766 50 0 IDAARN CC(C)(C)OC(=O)N1CCC(CC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000390830755 569354300 /nfs/dbraw/zinc/35/43/00/569354300.db2.gz NDMXHNFBAQSQGN-INIZCTEOSA-N 0 0 429.525 1.856 50 0 IDAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1OC ZINC000020181815 569355377 /nfs/dbraw/zinc/35/53/77/569355377.db2.gz NBPLQQYBVXZJOQ-UHFFFAOYSA-N 0 0 433.530 1.858 50 0 IDAARN CCn1c(CN2CCN(S(C)(=O)=O)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020215147 569356714 /nfs/dbraw/zinc/35/67/14/569356714.db2.gz ADQBKIAZZHVDTO-UHFFFAOYSA-N 0 0 431.518 1.979 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)CO2 ZINC000020279489 569358605 /nfs/dbraw/zinc/35/86/05/569358605.db2.gz GFOLJHQZBCSNPY-IYBDPMFKSA-N 0 0 437.562 1.947 50 0 IDAARN CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000020284824 569358980 /nfs/dbraw/zinc/35/89/80/569358980.db2.gz GBABVVLRNQGHCJ-KRWDZBQOSA-N 0 0 431.514 1.937 50 0 IDAARN COc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)cc1 ZINC000020284896 569358998 /nfs/dbraw/zinc/35/89/98/569358998.db2.gz WVOTXUKSRJJWEZ-IBGZPJMESA-N 0 0 447.513 1.759 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000020287421 569359217 /nfs/dbraw/zinc/35/92/17/569359217.db2.gz LAQQNVQJWOGESB-JXFKEZNVSA-N 0 0 431.558 1.994 50 0 IDAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000020287718 569359236 /nfs/dbraw/zinc/35/92/36/569359236.db2.gz CEMMMOHRRJMDMP-LAUBAEHRSA-N 0 0 444.601 1.909 50 0 IDAARN COc1cccc(OC)c1OC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020347392 569361136 /nfs/dbraw/zinc/36/11/36/569361136.db2.gz SRZSUVAPPCPMOH-SFHVURJKSA-N 0 0 430.501 1.990 50 0 IDAARN COc1cccc(OC)c1OC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020347395 569361154 /nfs/dbraw/zinc/36/11/54/569361154.db2.gz SRZSUVAPPCPMOH-GOSISDBHSA-N 0 0 430.501 1.990 50 0 IDAARN CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1C ZINC000095349232 569361725 /nfs/dbraw/zinc/36/17/25/569361725.db2.gz BDBPFCIAPAHOKS-KRWDZBQOSA-N 0 0 446.591 1.301 50 0 IDAARN COC(=O)c1cnc(N[C@@H](C)c2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1 ZINC000095356481 569362170 /nfs/dbraw/zinc/36/21/70/569362170.db2.gz DFSXZWTXQNXPGR-ZDUSSCGKSA-N 0 0 449.485 1.791 50 0 IDAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)C(C)C)cc1 ZINC000095402690 569364026 /nfs/dbraw/zinc/36/40/26/569364026.db2.gz CSDZVDZRMVRDJE-HNAYVOBHSA-N 0 0 427.505 1.678 50 0 IDAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)C(C)C)cc1 ZINC000095402692 569364028 /nfs/dbraw/zinc/36/40/28/569364028.db2.gz CSDZVDZRMVRDJE-DNVCBOLYSA-N 0 0 427.505 1.678 50 0 IDAARN O=C(CNc1ccn(CC(F)(F)F)n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000095430816 569366337 /nfs/dbraw/zinc/36/63/37/569366337.db2.gz VRKPSODAAUXXBV-UHFFFAOYSA-N 0 0 447.439 1.517 50 0 IDAARN CC(C)(C)OC(=O)N1CCCN(C(=O)C2CCN(c3cncc4nnnn43)CC2)CC1 ZINC000095436690 569366605 /nfs/dbraw/zinc/36/66/05/569366605.db2.gz OABPCOAPCSGIAC-UHFFFAOYSA-N 0 0 430.513 1.205 50 0 IDAARN Cc1cccc2c1ncn(CCC(=O)NCCOc1cccc(NS(C)(=O)=O)c1)c2=O ZINC000095453598 569368234 /nfs/dbraw/zinc/36/82/34/569368234.db2.gz ZIOZKCTZLHCFJJ-UHFFFAOYSA-N 0 0 444.513 1.662 50 0 IDAARN COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccc(N4CCOC4=O)cc3)C2)cc1 ZINC000095454935 569368398 /nfs/dbraw/zinc/36/83/98/569368398.db2.gz XQBPEHAXUZVOMX-UHFFFAOYSA-N 0 0 446.485 1.846 50 0 IDAARN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC(CCC(N)=O)CC1 ZINC000095454977 569368536 /nfs/dbraw/zinc/36/85/36/569368536.db2.gz QJZIEUQHSUSRBQ-UHFFFAOYSA-N 0 0 426.539 1.845 50 0 IDAARN C[C@@H]1CN(CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@@H](C)O1 ZINC000095459717 569369479 /nfs/dbraw/zinc/36/94/79/569369479.db2.gz LVIHGPVJYXIAIX-HZPDHXFCSA-N 0 0 439.503 1.811 50 0 IDAARN CC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000095461722 569369870 /nfs/dbraw/zinc/36/98/70/569369870.db2.gz DVFNVZLXBWZKJK-LLVKDONJSA-N 0 0 425.334 1.857 50 0 IDAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(C)CC2)CC1 ZINC000095464878 569370527 /nfs/dbraw/zinc/37/05/27/569370527.db2.gz IPEIHWBCFPQXOF-HKUYNNGSSA-N 0 0 430.549 1.437 50 0 IDAARN O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095474113 569372498 /nfs/dbraw/zinc/37/24/98/569372498.db2.gz NKUGXECALUMJCJ-ZDUSSCGKSA-N 0 0 430.461 1.645 50 0 IDAARN O=C(CNC(=O)c1ccccc1)N1CCC[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000095474259 569372575 /nfs/dbraw/zinc/37/25/75/569372575.db2.gz HGUOPZQUHFUFBC-ROKPMTFOSA-N 0 0 427.545 1.809 50 0 IDAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000095475565 569372724 /nfs/dbraw/zinc/37/27/24/569372724.db2.gz IHPDRTQKKAPSEM-GOSISDBHSA-N 0 0 436.468 1.850 50 0 IDAARN CC(C)c1sc(Br)nc1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095477039 569373261 /nfs/dbraw/zinc/37/32/61/569373261.db2.gz OJOMOVBVSICOEL-LLVKDONJSA-N 0 0 436.397 1.974 50 0 IDAARN Cc1ccc(NC(=O)C(=O)NCCCN(C)C(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000095481884 569374198 /nfs/dbraw/zinc/37/41/98/569374198.db2.gz SXEZRDFZEPRWRL-UHFFFAOYSA-N 0 0 449.511 1.698 50 0 IDAARN CC(C)(CNC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NS(C)(=O)=O ZINC000095955956 569376869 /nfs/dbraw/zinc/37/68/69/569376869.db2.gz VSKOFHRFWCOURK-OAHLLOKOSA-N 0 0 439.481 1.880 50 0 IDAARN Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000095980146 569377934 /nfs/dbraw/zinc/37/79/34/569377934.db2.gz NYURJCPDFONSEQ-ZDUSSCGKSA-N 0 0 426.882 1.773 50 0 IDAARN O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000095991644 569378229 /nfs/dbraw/zinc/37/82/29/569378229.db2.gz LBHFFRPBLHQUEC-CVEARBPZSA-N 0 0 426.922 1.893 50 0 IDAARN O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)Cc2noc3ccccc32)CC1 ZINC000096006794 569379486 /nfs/dbraw/zinc/37/94/86/569379486.db2.gz LJSKGXPNWQBMNM-UHFFFAOYSA-N 0 0 429.454 1.844 50 0 IDAARN CN(C)C(=O)Cn1cc(C(=O)NC[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)nn1 ZINC000096011873 569379904 /nfs/dbraw/zinc/37/99/04/569379904.db2.gz HQOTXAXWEUEWQX-LJQANCHMSA-N 0 0 432.484 1.956 50 0 IDAARN CCOCCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096012250 569380060 /nfs/dbraw/zinc/38/00/60/569380060.db2.gz WYTAHNJXDIILJF-CQSZACIVSA-N 0 0 439.456 1.161 50 0 IDAARN O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2c(c1)CCO2 ZINC000096025929 569380772 /nfs/dbraw/zinc/38/07/72/569380772.db2.gz CRSQYXAEVPSDCQ-UHFFFAOYSA-N 0 0 437.543 1.396 50 0 IDAARN O=C(NC1CCN(c2nccs2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000096099797 569381731 /nfs/dbraw/zinc/38/17/31/569381731.db2.gz SQXNMAJJXMYMEJ-UHFFFAOYSA-N 0 0 436.559 1.563 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(c3cc(-n4cncn4)ncn3)C2)n1 ZINC000096105263 569382265 /nfs/dbraw/zinc/38/22/65/569382265.db2.gz SIXZGANYDMOFOE-ZDUSSCGKSA-N 0 0 442.505 1.475 50 0 IDAARN COc1cc(OC)cc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c1 ZINC000096116205 569383614 /nfs/dbraw/zinc/38/36/14/569383614.db2.gz LDKLFQKNDODLQN-UHFFFAOYSA-N 0 0 432.381 1.186 50 0 biogenic IDAARN CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000096118519 569384548 /nfs/dbraw/zinc/38/45/48/569384548.db2.gz IWFGTBANDHAOLO-KRWDZBQOSA-N 0 0 430.505 1.619 50 0 IDAARN CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CCN(c4ccc(=O)n(C)n4)CC3)nc21 ZINC000096119216 569384667 /nfs/dbraw/zinc/38/46/67/569384667.db2.gz QAVRWUBFDJHHOH-ZDUSSCGKSA-N 0 0 431.518 1.685 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)N1CC(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000096121906 569385179 /nfs/dbraw/zinc/38/51/79/569385179.db2.gz RFONHQBWFCRTQC-UHFFFAOYSA-N 0 0 431.513 1.390 50 0 IDAARN O=C(NCc1nc(-c2ccccc2)no1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000096123985 569385295 /nfs/dbraw/zinc/38/52/95/569385295.db2.gz DTQWGBGGFXUJHN-UHFFFAOYSA-N 0 0 431.460 1.640 50 0 IDAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124115 569385391 /nfs/dbraw/zinc/38/53/91/569385391.db2.gz MFTAYJVQMTURSK-KRWDZBQOSA-N 0 0 434.504 1.749 50 0 IDAARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cc(OC)c(O)c(OC)c2)o1 ZINC000096221079 569386854 /nfs/dbraw/zinc/38/68/54/569386854.db2.gz QIQVMESXYZZHRG-OAHLLOKOSA-N 0 0 449.456 1.595 50 0 biogenic IDAARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(OC)c(OC)c2)o1 ZINC000096221128 569386864 /nfs/dbraw/zinc/38/68/64/569386864.db2.gz CNQQLGBMGSJLKB-MRXNPFEDSA-N 0 0 433.457 1.890 50 0 biogenic IDAARN O=C(CC[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NCCc1nnc2ccccn21 ZINC000096223923 569387359 /nfs/dbraw/zinc/38/73/59/569387359.db2.gz IGVKTNBARIUTSU-KRWDZBQOSA-N 0 0 438.463 1.470 50 0 IDAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(CCc2ccccn2)CC1 ZINC000096224292 569387373 /nfs/dbraw/zinc/38/73/73/569387373.db2.gz SZSIDDMMRAUSMM-NRFANRHFSA-N 0 0 435.528 1.322 50 0 IDAARN O=C(CCc1nnc2ccccn2c1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000096231066 569387470 /nfs/dbraw/zinc/38/74/70/569387470.db2.gz IXSMNJPOCAOLQV-UHFFFAOYSA-N 0 0 432.406 1.785 50 0 IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(CCc2ccncc2)CC1 ZINC000096232720 569387891 /nfs/dbraw/zinc/38/78/91/569387891.db2.gz NYABTHJWPWMUDG-IBGZPJMESA-N 0 0 425.489 1.262 50 0 IDAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000096248580 569388008 /nfs/dbraw/zinc/38/80/08/569388008.db2.gz WFXXIFKYZSGXMX-DAXSKMNVSA-N 0 0 444.557 1.507 50 0 IDAARN O=C(c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O)N1CCOCC1 ZINC000096293686 569391669 /nfs/dbraw/zinc/39/16/69/569391669.db2.gz JOZCBNFNQYTEKL-UHFFFAOYSA-N 0 0 426.860 1.568 50 0 IDAARN Cc1sc2nc(CN3CCN(Cc4cc(=O)n5ccsc5n4)CC3)[nH]c(=O)c2c1C ZINC000096315799 569392754 /nfs/dbraw/zinc/39/27/54/569392754.db2.gz SHPMNQWZSDISNX-UHFFFAOYSA-N 0 0 442.570 1.989 50 0 IDAARN COc1cc(CC(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc(OC)c1 ZINC000096323269 569395102 /nfs/dbraw/zinc/39/51/02/569395102.db2.gz PWIWPCVLSINWMF-UHFFFAOYSA-N 0 0 436.534 1.130 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(NC(C)=O)cc3)CC2)c1C ZINC000096323295 569395107 /nfs/dbraw/zinc/39/51/07/569395107.db2.gz BXLBIAXBPSRQFV-UHFFFAOYSA-N 0 0 447.561 1.554 50 0 IDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000096323246 569395112 /nfs/dbraw/zinc/39/51/12/569395112.db2.gz JWOYIKCQWXXBDN-UHFFFAOYSA-N 0 0 431.312 1.539 50 0 IDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1C ZINC000096323293 569395135 /nfs/dbraw/zinc/39/51/35/569395135.db2.gz CVWWVDZYHDAPFE-UHFFFAOYSA-N 0 0 444.513 1.773 50 0 IDAARN CN1CCc2cc([C@@H](O)CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)ccc21 ZINC000096363015 569397725 /nfs/dbraw/zinc/39/77/25/569397725.db2.gz PHYMCAJYTFUKCL-NRFANRHFSA-N 0 0 436.512 1.984 50 0 IDAARN CCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1ccccc1Br)CC2 ZINC000096398514 569399534 /nfs/dbraw/zinc/39/95/34/569399534.db2.gz YAIOBGRRQONGLK-UHFFFAOYSA-N 0 0 441.351 1.956 50 0 IDAARN CCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1cc(Cl)ccc1OC)CC2 ZINC000096398525 569399636 /nfs/dbraw/zinc/39/96/36/569399636.db2.gz BTQWNAJRVFRWBO-UHFFFAOYSA-N 0 0 426.926 1.855 50 0 IDAARN O=C(CCNC(=O)c1ccccc1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096403021 569400517 /nfs/dbraw/zinc/40/05/17/569400517.db2.gz BTDAMWQZWVVPOT-PDGQHHTCSA-N 0 0 427.526 1.951 50 0 IDAARN COCCN1CC[C@H](N2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000097078249 569403111 /nfs/dbraw/zinc/40/31/11/569403111.db2.gz UVIAVCXZZOENSH-KRWDZBQOSA-N 0 0 449.495 1.649 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)CC(=O)c2ccco2)cc1C ZINC000097165164 569403411 /nfs/dbraw/zinc/40/34/11/569403411.db2.gz UQTQLXYRUUOKNF-DOTOQJQBSA-N 0 0 449.529 1.587 50 0 IDAARN COc1ccc(CCN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000055408599 569404713 /nfs/dbraw/zinc/40/47/13/569404713.db2.gz DSFWKBREMJZELW-LEWJYISDSA-N 0 0 430.526 1.761 50 0 IDAARN COc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055408595 569404748 /nfs/dbraw/zinc/40/47/48/569404748.db2.gz YWRONASVWLGKOR-VQTJNVASSA-N 0 0 430.526 1.761 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000225597766 569405342 /nfs/dbraw/zinc/40/53/42/569405342.db2.gz GDCBTZYEMGQATQ-UHFFFAOYSA-N 0 0 430.452 1.905 50 0 IDAARN COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)cc1 ZINC000225638697 569406360 /nfs/dbraw/zinc/40/63/60/569406360.db2.gz PKDOICCXKZJWEL-INIZCTEOSA-N 0 0 433.442 1.863 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)CC1 ZINC000225755771 569408156 /nfs/dbraw/zinc/40/81/56/569408156.db2.gz NLXGIEOPQWPIQN-UHFFFAOYSA-N 0 0 437.591 1.895 50 0 IDAARN COC(=O)c1sccc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225761079 569408356 /nfs/dbraw/zinc/40/83/56/569408356.db2.gz SMCVPVYAVQDPOP-UHFFFAOYSA-N 0 0 449.510 1.564 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)NC(N)=O)n2C)c1 ZINC000002628186 569411843 /nfs/dbraw/zinc/41/18/43/569411843.db2.gz HGPAYBCWNLRJQC-LLVKDONJSA-N 0 0 440.551 1.188 50 0 IDAARN CCn1c(=O)c2c(nc1N1CCN(C(=O)COc3ccc(F)cc3)CC1)c(C)nn2C ZINC000028559050 569412275 /nfs/dbraw/zinc/41/22/75/569412275.db2.gz HGBUSNCURBMNAF-UHFFFAOYSA-N 0 0 428.468 1.325 50 0 IDAARN Cn1c(=O)c(C(=O)COC(=O)c2ccc(Cl)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000002643925 569413956 /nfs/dbraw/zinc/41/39/56/569413956.db2.gz VJNVDSVVTPQPQP-UHFFFAOYSA-N 0 0 427.844 1.871 50 0 IDAARN O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002661668 569416104 /nfs/dbraw/zinc/41/61/04/569416104.db2.gz NBKCKDHZJPEMOO-KRWDZBQOSA-N 0 0 448.888 1.799 50 0 IDAARN Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cnn1C ZINC000002732408 569419510 /nfs/dbraw/zinc/41/95/10/569419510.db2.gz XLCMILSAGJRIBZ-GFCCVEGCSA-N 0 0 442.339 1.925 50 0 IDAARN NS(=O)(=O)c1ccc(NC(=O)c2ccn(Cn3cc(Br)cn3)n2)cc1 ZINC000002783904 569421367 /nfs/dbraw/zinc/42/13/67/569421367.db2.gz YTIPVYRPVAWVHA-UHFFFAOYSA-N 0 0 425.268 1.248 50 0 IDAARN CCn1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c(C(=O)NC)n1 ZINC000002802262 569422370 /nfs/dbraw/zinc/42/23/70/569422370.db2.gz SNJJSWXFFBPYDX-CYBMUJFWSA-N 0 0 437.497 1.441 50 0 IDAARN O=C(CNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1 ZINC000002924775 569425507 /nfs/dbraw/zinc/42/55/07/569425507.db2.gz RCIUDKAXQDICMN-UHFFFAOYSA-N 0 0 428.489 1.909 50 0 IDAARN COCCNC(=O)c1sc2ncn(CC(=O)Nc3ccccc3OC)c(=O)c2c1C ZINC000002922828 569425529 /nfs/dbraw/zinc/42/55/29/569425529.db2.gz RQUFYSAVUWWNTB-UHFFFAOYSA-N 0 0 430.486 1.790 50 0 IDAARN CCN(CCCNC(=O)CNC(=O)Cn1cnc2sc(C)cc2c1=O)c1ccccc1 ZINC000002943266 569426930 /nfs/dbraw/zinc/42/69/30/569426930.db2.gz IWJYULNNSWJTSX-UHFFFAOYSA-N 0 0 441.557 1.915 50 0 IDAARN O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 ZINC000056903586 569427402 /nfs/dbraw/zinc/42/74/02/569427402.db2.gz OYBZEKYTSNLDDM-UHFFFAOYSA-N 0 0 427.468 1.597 50 0 IDAARN CC(=O)[C@H](C)n1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000056923737 569427643 /nfs/dbraw/zinc/42/76/43/569427643.db2.gz IFIRKNANIDEHOG-AWEZNQCLSA-N 0 0 442.495 1.045 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000056908061 569427743 /nfs/dbraw/zinc/42/77/43/569427743.db2.gz ZRZAKBMGLZSLAQ-HNNXBMFYSA-N 0 0 444.604 1.432 50 0 IDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2cccnc2)CC1 ZINC000056938983 569427761 /nfs/dbraw/zinc/42/77/61/569427761.db2.gz MRJVCDXXWGTJOY-GOSISDBHSA-N 0 0 432.550 1.015 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(CC(=O)Nc2nccs2)CC1 ZINC000056938880 569427772 /nfs/dbraw/zinc/42/77/72/569427772.db2.gz NWHDXYSDOZLPEV-HNNXBMFYSA-N 0 0 438.579 1.077 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)ccc1OCC(=O)N(C)C ZINC000226686053 569427817 /nfs/dbraw/zinc/42/78/17/569427817.db2.gz ACTLIOMEAFAFGX-INIZCTEOSA-N 0 0 425.551 1.387 50 0 IDAARN COC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1Cl ZINC000226686313 569427850 /nfs/dbraw/zinc/42/78/50/569427850.db2.gz NWIUCUMVQCKFOS-ZDUSSCGKSA-N 0 0 432.926 1.817 50 0 IDAARN CCCn1c(N2CCN(Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952359 569428524 /nfs/dbraw/zinc/42/85/24/569428524.db2.gz INNFKNPTNLVZTF-UHFFFAOYSA-N 0 0 434.903 1.948 50 0 IDAARN CCOCCn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952916 569428668 /nfs/dbraw/zinc/42/86/68/569428668.db2.gz VTUZOZLPCUPRTM-UHFFFAOYSA-N 0 0 446.939 1.435 50 0 IDAARN COc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1OC ZINC000056998000 569429028 /nfs/dbraw/zinc/42/90/28/569429028.db2.gz OTUKPLVEXLUESN-UHFFFAOYSA-N 0 0 430.480 1.720 50 0 IDAARN O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000056997920 569429032 /nfs/dbraw/zinc/42/90/32/569429032.db2.gz UFVWUPSQYKZROA-UHFFFAOYSA-N 0 0 430.892 1.946 50 0 IDAARN CC(=O)[C@@H](C)n1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000057122028 569429599 /nfs/dbraw/zinc/42/95/99/569429599.db2.gz KQRBHBIEQVNESQ-CQSZACIVSA-N 0 0 442.495 1.045 50 0 IDAARN NC(=O)[C@H]1CC(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)=NN1c1ccccc1 ZINC000029439122 569430272 /nfs/dbraw/zinc/43/02/72/569430272.db2.gz GGPFFBBKNVTIKA-OAQYLSRUSA-N 0 0 433.512 1.662 50 0 IDAARN O=C(NCCCN1CCCC1=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002959434 569432512 /nfs/dbraw/zinc/43/25/12/569432512.db2.gz FVNCHPZHLNNTSJ-HZPDHXFCSA-N 0 0 436.559 1.109 50 0 IDAARN NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000002968735 569433111 /nfs/dbraw/zinc/43/31/11/569433111.db2.gz SEOVILNFPNYYNM-QGZVFWFLSA-N 0 0 435.509 1.613 50 0 IDAARN COC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057414867 569433889 /nfs/dbraw/zinc/43/38/89/569433889.db2.gz QQMDUVHEBUQAFO-IBGZPJMESA-N 0 0 438.488 1.088 50 0 IDAARN COC(=O)C1C(CN2CCN(c3ncccn3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057414864 569433928 /nfs/dbraw/zinc/43/39/28/569433928.db2.gz QQMDUVHEBUQAFO-LJQANCHMSA-N 0 0 438.488 1.088 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000057414423 569433990 /nfs/dbraw/zinc/43/39/90/569433990.db2.gz ILAVEXMLXLMEKK-LJQANCHMSA-N 0 0 440.479 1.609 50 0 IDAARN CCc1ccc([C@H]2NC(=O)N=C(CN3CCN(c4ncccn4)CC3)C2C(=O)OC)cc1 ZINC000057415294 569434114 /nfs/dbraw/zinc/43/41/14/569434114.db2.gz GUKKYKDACGBZBW-HXUWFJFHSA-N 0 0 436.516 1.642 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057414995 569434130 /nfs/dbraw/zinc/43/41/30/569434130.db2.gz FSHDOIMEJGIBTK-GOSISDBHSA-N 0 0 442.907 1.733 50 0 IDAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000057457658 569435329 /nfs/dbraw/zinc/43/53/29/569435329.db2.gz RWWIQSULDCEPOW-UHFFFAOYSA-N 0 0 444.561 1.412 50 0 IDAARN COC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478320 569435859 /nfs/dbraw/zinc/43/58/59/569435859.db2.gz NGJSVHUFCSIYRR-NRFANRHFSA-N 0 0 437.500 1.693 50 0 IDAARN COc1cccc(CNC(=O)Cn2c3nc(N4CCCC4)sc3c(=O)n(C)c2=O)c1 ZINC000057520640 569438734 /nfs/dbraw/zinc/43/87/34/569438734.db2.gz HKABECSMZFPYNZ-UHFFFAOYSA-N 0 0 429.502 1.082 50 0 IDAARN COc1ccc(N[C@H](C(=O)N(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000057529480 569439226 /nfs/dbraw/zinc/43/92/26/569439226.db2.gz ZATSSUOLLRLFDN-FQEVSTJZSA-N 0 0 433.530 1.958 50 0 IDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)OC)c1 ZINC000057615381 569440244 /nfs/dbraw/zinc/44/02/44/569440244.db2.gz ZRJYNFFHKSEWFQ-QGZVFWFLSA-N 0 0 441.550 1.151 50 0 IDAARN CN1C(=O)c2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2C1=O ZINC000003168736 569441156 /nfs/dbraw/zinc/44/11/56/569441156.db2.gz SAGKYMKISVXXSP-UHFFFAOYSA-N 0 0 447.444 1.325 50 0 IDAARN COC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)C1 ZINC000003193199 569441487 /nfs/dbraw/zinc/44/14/87/569441487.db2.gz KYNUNUWZBYWGBH-GXTWGEPZSA-N 0 0 438.531 1.256 50 0 IDAARN COc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000003217290 569441847 /nfs/dbraw/zinc/44/18/47/569441847.db2.gz JURIBHDILVWKAD-UHFFFAOYSA-N 0 0 448.497 1.820 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N1CCc2ccccc21 ZINC000003287211 569444144 /nfs/dbraw/zinc/44/41/44/569444144.db2.gz FEEHDCMDXRFJSY-UHFFFAOYSA-N 0 0 444.509 1.762 50 0 IDAARN Cc1cc(N2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)n2ncnc2n1 ZINC000030585268 569444329 /nfs/dbraw/zinc/44/43/29/569444329.db2.gz FTGZUSFTTIKJDZ-UHFFFAOYSA-N 0 0 446.515 1.498 50 0 IDAARN CN1C(=O)Cc2cc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)ccc21 ZINC000057996178 569444349 /nfs/dbraw/zinc/44/43/49/569444349.db2.gz YZVORVSJLTVZDB-UHFFFAOYSA-N 0 0 432.521 1.445 50 0 IDAARN Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1C[C@H]1CCCO1 ZINC000003295714 569444664 /nfs/dbraw/zinc/44/46/64/569444664.db2.gz BMQVOIASQARFON-MRXNPFEDSA-N 0 0 439.468 1.713 50 0 IDAARN C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003302113 569445071 /nfs/dbraw/zinc/44/50/71/569445071.db2.gz NBJYYQDJFFOXKR-OAHLLOKOSA-N 0 0 435.436 1.882 50 0 IDAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000003302366 569445085 /nfs/dbraw/zinc/44/50/85/569445085.db2.gz 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COc1cc(Br)c(S(=O)(=O)N(C)CC(=O)NCc2ccco2)cc1OC ZINC000008767286 569474837 /nfs/dbraw/zinc/47/48/37/569474837.db2.gz YOLQAIPWLOVBDF-UHFFFAOYSA-N 0 0 447.307 1.996 50 0 IDAARN CCOc1ccc(N(CC(=O)Nc2cc(C)[nH]n2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000008767686 569474918 /nfs/dbraw/zinc/47/49/18/569474918.db2.gz GTXBQMTZOXPQGX-HOTGVXAUSA-N 0 0 449.558 1.830 50 0 IDAARN NC(=O)c1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 ZINC000008768841 569475013 /nfs/dbraw/zinc/47/50/13/569475013.db2.gz KGNUFFZOGVRRMU-UHFFFAOYSA-N 0 0 440.510 1.916 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1 ZINC000008769355 569475061 /nfs/dbraw/zinc/47/50/61/569475061.db2.gz ATYCWLJUUNLHOB-UHFFFAOYSA-N 0 0 429.498 1.971 50 0 IDAARN COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cccnc3)s2)cc1 ZINC000008770751 569475166 /nfs/dbraw/zinc/47/51/66/569475166.db2.gz FJCBCVAOZJUBHB-QOCHGBHMSA-N 0 0 425.470 1.551 50 0 IDAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000008824307 569477200 /nfs/dbraw/zinc/47/72/00/569477200.db2.gz AJDCVEVJRRFKKR-UHFFFAOYSA-N 0 0 440.431 1.635 50 0 IDAARN COC(=O)[C@H](C)O[C@H]1[C@H]2OC(C)(C)OC[C@@H]2O[C@@H](OCc2ccccc2)[C@H]1NC(C)=O ZINC000008834586 569477973 /nfs/dbraw/zinc/47/79/73/569477973.db2.gz OEKDBUGAXUPTRV-KERZQCGTSA-N 0 0 437.489 1.531 50 0 IDAARN CCOc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1 ZINC000008848902 569479179 /nfs/dbraw/zinc/47/91/79/569479179.db2.gz SADREZMXXDKKPO-UHFFFAOYSA-N 0 0 425.420 1.733 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1 ZINC000008848938 569479204 /nfs/dbraw/zinc/47/92/04/569479204.db2.gz GGJTXJHROQZKIY-UHFFFAOYSA-N 0 0 438.419 1.293 50 0 IDAARN O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)NCc1ccccc1Cl ZINC000008849060 569479216 /nfs/dbraw/zinc/47/92/16/569479216.db2.gz CHYNSGDDQBYKMR-UHFFFAOYSA-N 0 0 429.839 1.666 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)NCCc2ccccc2)c(=O)c3=O)cc1 ZINC000008849475 569479257 /nfs/dbraw/zinc/47/92/57/569479257.db2.gz ULFWTRYSVKJBEX-UHFFFAOYSA-N 0 0 435.484 1.314 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000008852758 569479517 /nfs/dbraw/zinc/47/95/17/569479517.db2.gz ZUVXDOXGZDAJJR-UHFFFAOYSA-N 0 0 430.427 1.876 50 0 IDAARN CC(=O)c1cccc(NC(=O)CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000008852644 569479530 /nfs/dbraw/zinc/47/95/30/569479530.db2.gz HJJPXPQAYDBNKN-UHFFFAOYSA-N 0 0 434.518 1.829 50 0 IDAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2C1=O ZINC000039585642 569481808 /nfs/dbraw/zinc/48/18/08/569481808.db2.gz ZPOBRUATBNHCFD-HNNXBMFYSA-N 0 0 437.452 1.586 50 0 IDAARN COC(=O)c1ccc([C@@H]2c3c(=O)n(C)c(=O)n(C)c3NC(C)=C2C(=O)OCC(C)C)cc1 ZINC000039888792 569481911 /nfs/dbraw/zinc/48/19/11/569481911.db2.gz IZPGSKPMBLFKMD-KRWDZBQOSA-N 0 0 441.484 1.901 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000040012865 569482550 /nfs/dbraw/zinc/48/25/50/569482550.db2.gz LWHBHRVXUUAUEN-UHFFFAOYSA-N 0 0 438.278 1.736 50 0 IDAARN C[C@H](NC(=O)COC(=O)CSCC(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000008882342 569482924 /nfs/dbraw/zinc/48/29/24/569482924.db2.gz RTVWBUFRMDRIEU-BZSISCHUSA-N 0 0 438.590 1.843 50 0 IDAARN CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000040040150 569483372 /nfs/dbraw/zinc/48/33/72/569483372.db2.gz MPWBSQYKPKEKNB-STQMWFEESA-N 0 0 445.925 1.518 50 0 IDAARN COc1cccc(NC(=O)CN(C)C(=O)COC(=O)c2cnc3c(c2)c(C)nn3C)c1 ZINC000040040300 569483436 /nfs/dbraw/zinc/48/34/36/569483436.db2.gz JOHGANQNLYJWPK-UHFFFAOYSA-N 0 0 425.445 1.539 50 0 IDAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000008898778 569484039 /nfs/dbraw/zinc/48/40/39/569484039.db2.gz DWBXYUZWUHFOCT-UHFFFAOYSA-N 0 0 425.470 1.656 50 0 IDAARN COC(=O)c1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc(C(=O)OC)c1 ZINC000040050974 569484301 /nfs/dbraw/zinc/48/43/01/569484301.db2.gz RNTFCRHNWVSWDR-UHFFFAOYSA-N 0 0 438.396 1.245 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN(C(=O)CC(C)C)CC1 ZINC000040051394 569484391 /nfs/dbraw/zinc/48/43/91/569484391.db2.gz RBZXXWMYOBOZBX-KRWDZBQOSA-N 0 0 438.594 1.763 50 0 IDAARN CC(C)C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCOCC1 ZINC000040072735 569485989 /nfs/dbraw/zinc/48/59/89/569485989.db2.gz IMBADQSSJBXBFC-IBGZPJMESA-N 0 0 438.594 1.345 50 0 IDAARN C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000040086122 569486689 /nfs/dbraw/zinc/48/66/89/569486689.db2.gz LIMBIHZNBHZACT-GJZGRUSLSA-N 0 0 432.384 1.921 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000040089399 569487088 /nfs/dbraw/zinc/48/70/88/569487088.db2.gz SOHZVEYQRQTYED-UHFFFAOYSA-N 0 0 439.299 1.596 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000008937565 569488179 /nfs/dbraw/zinc/48/81/79/569488179.db2.gz MCPOCUAOBKEVBK-UHFFFAOYSA-N 0 0 449.451 1.334 50 0 IDAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NN1C(=O)NC2(CCCCC2)C1=O ZINC000008940855 569488384 /nfs/dbraw/zinc/48/83/84/569488384.db2.gz UBGNERBDAYMGDY-INIZCTEOSA-N 0 0 428.489 1.881 50 0 IDAARN O=S(=O)(c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)o1)N1CCCC1 ZINC000040115544 569489239 /nfs/dbraw/zinc/48/92/39/569489239.db2.gz PZNVRIHSXJAMHK-UHFFFAOYSA-N 0 0 439.559 1.571 50 0 IDAARN C[C@H](c1nnnn1-c1ccccc1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000040121861 569489546 /nfs/dbraw/zinc/48/95/46/569489546.db2.gz LAQZMVHVAWQQQC-CQSZACIVSA-N 0 0 435.531 1.589 50 0 IDAARN CCOC(=O)C1=C(COC(=O)Cc2c(C)n[nH]c2C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000008966135 569491651 /nfs/dbraw/zinc/49/16/51/569491651.db2.gz LJHKJQBXPIEKOI-HXUWFJFHSA-N 0 0 442.472 1.992 50 0 IDAARN Cc1oc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000040142169 569491807 /nfs/dbraw/zinc/49/18/07/569491807.db2.gz FDSSZSQHDHGEQD-UHFFFAOYSA-N 0 0 445.541 1.900 50 0 IDAARN COC(=O)c1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000040152800 569493492 /nfs/dbraw/zinc/49/34/92/569493492.db2.gz PGKNEESKNAUIFP-UHFFFAOYSA-N 0 0 438.527 1.549 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000040152899 569493528 /nfs/dbraw/zinc/49/35/28/569493528.db2.gz NBABIBFVFRFEEO-UHFFFAOYSA-N 0 0 435.506 1.002 50 0 IDAARN NC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc4c(c3)CCC4)CC2)o1 ZINC000040154129 569493703 /nfs/dbraw/zinc/49/37/03/569493703.db2.gz NVTGWROLYWQCRD-UHFFFAOYSA-N 0 0 446.529 1.202 50 0 IDAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000040154295 569493724 /nfs/dbraw/zinc/49/37/24/569493724.db2.gz FCPGTYGLNWQLEO-SOUVJXGZSA-N 0 0 443.591 1.681 50 0 IDAARN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000040154297 569493747 /nfs/dbraw/zinc/49/37/47/569493747.db2.gz FCPGTYGLNWQLEO-RBSFLKMASA-N 0 0 443.591 1.681 50 0 IDAARN O=C(NCCS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000040154847 569493789 /nfs/dbraw/zinc/49/37/89/569493789.db2.gz YIJBSOHEXFYBPY-UHFFFAOYSA-N 0 0 426.516 1.658 50 0 IDAARN COC(=O)CN(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000040155499 569493954 /nfs/dbraw/zinc/49/39/54/569493954.db2.gz VQSYAHTYPBPNNI-VIFPVBQESA-N 0 0 435.285 1.209 50 0 IDAARN CCCN(CC(=O)OC)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000040155699 569493992 /nfs/dbraw/zinc/49/39/92/569493992.db2.gz LEYLKTKWBYIKAK-UHFFFAOYSA-N 0 0 447.557 1.558 50 0 IDAARN Cc1ccc(CN2C[C@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)cc1 ZINC000040160175 569495052 /nfs/dbraw/zinc/49/50/52/569495052.db2.gz SLWOFXCPNGVVFY-GOSISDBHSA-N 0 0 426.517 1.714 50 0 IDAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC000040162043 569495183 /nfs/dbraw/zinc/49/51/83/569495183.db2.gz JFLXQAMVFHUYRZ-FUHWJXTLSA-N 0 0 426.517 1.967 50 0 IDAARN CCOc1ncccc1C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccncc1 ZINC000008991750 569495334 /nfs/dbraw/zinc/49/53/34/569495334.db2.gz ULVUPKMXAXETNN-UHFFFAOYSA-N 0 0 434.518 1.180 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC(=O)Nc3ccccn3)C2)cc1 ZINC000008992266 569495376 /nfs/dbraw/zinc/49/53/76/569495376.db2.gz YVHXCLKNFATICF-HNNXBMFYSA-N 0 0 432.502 1.246 50 0 IDAARN COc1ccc(C(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)cc1OC ZINC000009000927 569495928 /nfs/dbraw/zinc/49/59/28/569495928.db2.gz XXQKQYMSEAAGLK-UHFFFAOYSA-N 0 0 432.436 1.902 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)Cn2c3cccnc3c(=O)n(Cc3ccccn3)c2=O)c1 ZINC000009001106 569495931 /nfs/dbraw/zinc/49/59/31/569495931.db2.gz QZKSQRSZFBKCBV-UHFFFAOYSA-N 0 0 444.451 1.599 50 0 IDAARN O=C(Cn1c2cccnc2c(=O)n(Cc2cccnc2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000009001363 569496023 /nfs/dbraw/zinc/49/60/23/569496023.db2.gz WLKWUPCIMBMSIX-UHFFFAOYSA-N 0 0 445.435 1.411 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)NCCN3c4ccccc4N(C)S3(=O)=O)CC2=O)cc1 ZINC000245015193 569496992 /nfs/dbraw/zinc/49/69/92/569496992.db2.gz LQDAYUDRGQNBDB-HNNXBMFYSA-N 0 0 444.513 1.366 50 0 IDAARN Cc1ccc(NC(=O)CCNC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000009033620 569497158 /nfs/dbraw/zinc/49/71/58/569497158.db2.gz IXNXMPGKKJPONP-ZMIKWESLSA-N 0 0 434.489 1.836 50 0 biogenic IDAARN COc1ccc(OC)c(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1 ZINC000009037439 569497303 /nfs/dbraw/zinc/49/73/03/569497303.db2.gz NQFQFKHXVSBNGI-ZDUSSCGKSA-N 0 0 434.470 1.764 50 0 IDAARN CN(CCO)c1nc2c(cnn2-c2ccc(Cl)cc2)c(N2CCC(C(N)=O)CC2)n1 ZINC000040267491 569497352 /nfs/dbraw/zinc/49/73/52/569497352.db2.gz AQNXKYOJNLDCEZ-UHFFFAOYSA-N 0 0 429.912 1.599 50 0 IDAARN COc1cc(NC(=O)C(=O)NCCn2nc(C)cc2C)ccc1N1CCCCS1(=O)=O ZINC000040287239 569498221 /nfs/dbraw/zinc/49/82/21/569498221.db2.gz ZSOJPCZWJKBEIS-UHFFFAOYSA-N 0 0 449.533 1.193 50 0 IDAARN Cc1cc(C)cc(-n2nnnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c1 ZINC000009049367 569498541 /nfs/dbraw/zinc/49/85/41/569498541.db2.gz ISXJNLNMGUOSBW-UHFFFAOYSA-N 0 0 428.518 1.559 50 0 IDAARN COc1c2c(c(S(=O)(=O)N[C@@H](CO)Cc3ccccc3)c3c1CN(C)CC3)OCO2 ZINC000040309484 569498708 /nfs/dbraw/zinc/49/87/08/569498708.db2.gz CTIPPFXSLMAPQZ-OAHLLOKOSA-N 0 0 434.514 1.294 50 0 biogenic IDAARN COc1ccc2[nH]cc(CCNC(=O)[C@H](C)NC(=O)Cc3n[nH]c(=O)c4ccccc34)c2c1 ZINC000009052611 569498759 /nfs/dbraw/zinc/49/87/59/569498759.db2.gz VJXXBNBPIODEQX-AWEZNQCLSA-N 0 0 447.495 1.819 50 0 IDAARN COC(=O)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000009056627 569499093 /nfs/dbraw/zinc/49/90/93/569499093.db2.gz ZGKJKBCVJWPMOI-UHFFFAOYSA-N 0 0 434.470 1.755 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)Nc3cccnc3)C2)cc1 ZINC000009061131 569499625 /nfs/dbraw/zinc/49/96/25/569499625.db2.gz RKROALPLRCQAJD-HOTGVXAUSA-N 0 0 446.529 1.634 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)Nc3cccnc3)C2)cc1 ZINC000009061130 569499630 /nfs/dbraw/zinc/49/96/30/569499630.db2.gz RKROALPLRCQAJD-JKSUJKDBSA-N 0 0 446.529 1.634 50 0 IDAARN O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@H]2CS1(=O)=O)Nc1ccc(Br)cc1 ZINC000245237519 569500487 /nfs/dbraw/zinc/50/04/87/569500487.db2.gz LRPLETBXTIDYAK-GZBFAFLISA-N 0 0 430.324 1.795 50 0 IDAARN Nn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1C1CC1 ZINC000009119641 569503558 /nfs/dbraw/zinc/50/35/58/569503558.db2.gz VLWOMOXQSBCQED-UHFFFAOYSA-N 0 0 436.563 1.775 50 0 IDAARN C[C@@H](OC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)NC(N)=O ZINC000009128081 569505322 /nfs/dbraw/zinc/50/53/22/569505322.db2.gz MOISFOHIXXWXFP-LLVKDONJSA-N 0 0 445.453 1.886 50 0 IDAARN CC(C)NC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009134048 569507003 /nfs/dbraw/zinc/50/70/03/569507003.db2.gz RFFBISZELGXEIY-LBPRGKRZSA-N 0 0 439.563 1.121 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)[C@@H](C)CC(=O)NCc1ccc3c(c1)OCO3)OCC(=O)N2 ZINC000009151750 569507557 /nfs/dbraw/zinc/50/75/57/569507557.db2.gz NBOQOTSPXPIVRF-ZDUSSCGKSA-N 0 0 446.481 1.923 50 0 IDAARN O=C(CNC(=O)C(=O)NCCC1=CCCCC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009154297 569508192 /nfs/dbraw/zinc/50/81/92/569508192.db2.gz DMYCNCLKFKQZHQ-LJQANCHMSA-N 0 0 447.557 1.330 50 0 IDAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1c(C)cc(C)[nH]c1=O ZINC000009154534 569508246 /nfs/dbraw/zinc/50/82/46/569508246.db2.gz IOYPGBXSJAWJLL-INIZCTEOSA-N 0 0 441.550 1.847 50 0 IDAARN O=C(COC(=O)c1ccccc1NCCO)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000009157639 569508401 /nfs/dbraw/zinc/50/84/01/569508401.db2.gz CBLIEZYIRDDEAK-KRWDZBQOSA-N 0 0 438.546 1.596 50 0 IDAARN C[C@@]1(CSc2ccccc2C(=O)NC[C@@H]2COc3ccccc3O2)NC(=O)NC1=O ZINC000009167201 569509026 /nfs/dbraw/zinc/50/90/26/569509026.db2.gz FRBIYJMSRHXZGD-ASSNKEHSSA-N 0 0 427.482 1.947 50 0 IDAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009170800 569509307 /nfs/dbraw/zinc/50/93/07/569509307.db2.gz HVNGNRYKQMFSQX-UHFFFAOYSA-N 0 0 442.497 1.991 50 0 IDAARN CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1=O ZINC000009170296 569509333 /nfs/dbraw/zinc/50/93/33/569509333.db2.gz PGIXXDNMKDFCFK-KRWDZBQOSA-N 0 0 428.898 1.490 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)c1ccco1 ZINC000009183719 569509872 /nfs/dbraw/zinc/50/98/72/569509872.db2.gz NODHBNBAEJWKDT-IBGZPJMESA-N 0 0 448.357 1.512 50 0 IDAARN COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@]12c1ccccc1NC2=O ZINC000009189943 569510539 /nfs/dbraw/zinc/51/05/39/569510539.db2.gz PDBRRUIOLAGAFM-ZLOXQWCVSA-N 0 0 437.452 1.310 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(Oc2ccc(-n3cnnn3)cc2)CC1 ZINC000009204146 569511269 /nfs/dbraw/zinc/51/12/69/569511269.db2.gz NWAPYBJAVXOLME-UHFFFAOYSA-N 0 0 443.485 1.666 50 0 IDAARN O=S(=O)(c1ccc(Sc2nnc(NC[C@@H]3CCCO3)s2)nc1)N1CCOCC1 ZINC000009208004 569511472 /nfs/dbraw/zinc/51/14/72/569511472.db2.gz ANKKGIZUOYRFTE-LBPRGKRZSA-N 0 0 443.576 1.696 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000009229024 569513673 /nfs/dbraw/zinc/51/36/73/569513673.db2.gz ZYMCHXPOEVHAIK-UHFFFAOYSA-N 0 0 448.545 1.920 50 0 IDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccnc1Sc1ccccc1 ZINC000009245453 569515332 /nfs/dbraw/zinc/51/53/32/569515332.db2.gz CUKCGZGYWPAPEQ-HNNXBMFYSA-N 0 0 433.555 1.998 50 0 IDAARN CCOc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCC)n3C)ccc1OCC(N)=O ZINC000009249849 569515568 /nfs/dbraw/zinc/51/55/68/569515568.db2.gz RDRLOZGVQPIAAC-GFCCVEGCSA-N 0 0 432.502 1.629 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000009255499 569516562 /nfs/dbraw/zinc/51/65/62/569516562.db2.gz QPBPBTPCFCUPKM-UHFFFAOYSA-N 0 0 428.507 1.920 50 0 IDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N(C)C)cc3)c2)CC1 ZINC000009255598 569516581 /nfs/dbraw/zinc/51/65/81/569516581.db2.gz NDOXKRFUSZTNED-UHFFFAOYSA-N 0 0 430.530 1.858 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(NCCCOC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000009291976 569519923 /nfs/dbraw/zinc/51/99/23/569519923.db2.gz OFNSFPGSPOSNCI-INIZCTEOSA-N 0 0 445.520 1.399 50 0 IDAARN COc1ccc(-c2nc3c([nH]c(=O)n3-c3ccc4c(c3)OCO4)c(C(N)=O)n2)cc1OC ZINC000009296926 569520505 /nfs/dbraw/zinc/52/05/05/569520505.db2.gz VKUGAVLHHPJSGE-UHFFFAOYSA-N 0 0 435.396 1.621 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccccc2Cl)n(C)c1=O ZINC000009297133 569520507 /nfs/dbraw/zinc/52/05/07/569520507.db2.gz DNTVHHFPKUBSBZ-UHFFFAOYSA-N 0 0 429.864 1.972 50 0 IDAARN CN(C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009302783 569520894 /nfs/dbraw/zinc/52/08/94/569520894.db2.gz LZYBUUPWGWSNGK-MKRLJBPISA-N 0 0 426.491 1.898 50 0 IDAARN O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000009304298 569521166 /nfs/dbraw/zinc/52/11/66/569521166.db2.gz OZGVSOZZAKYRGJ-UHFFFAOYSA-N 0 0 443.544 1.705 50 0 IDAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1cccnc1 ZINC000009304735 569521171 /nfs/dbraw/zinc/52/11/71/569521171.db2.gz ZGMOXPSGLHXNIA-HNNXBMFYSA-N 0 0 448.520 1.443 50 0 IDAARN CCOC(=O)C1=C(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@@H]1C ZINC000009315392 569522146 /nfs/dbraw/zinc/52/21/46/569522146.db2.gz DCHCJBVQAHMQPQ-HCVBEMKVSA-N 0 0 433.505 1.381 50 0 IDAARN COc1ccc(C(=O)OCC(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000009315749 569522194 /nfs/dbraw/zinc/52/21/94/569522194.db2.gz VNKTWZCQSNSGDI-OAHLLOKOSA-N 0 0 440.518 1.131 50 0 IDAARN CN(Cc1ccco1)C(=O)CN(CC(=O)N(C)Cc1ccco1)[C@@H]1CCc2ncnn2C1 ZINC000069879497 569522628 /nfs/dbraw/zinc/52/26/28/569522628.db2.gz KDXTUXVQHSPZDT-QGZVFWFLSA-N 0 0 440.504 1.398 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O ZINC000009336572 569523434 /nfs/dbraw/zinc/52/34/34/569523434.db2.gz LKIYDXOXTSIATL-JOCHJYFZSA-N 0 0 447.455 1.936 50 0 IDAARN O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccncc1 ZINC000009344454 569524028 /nfs/dbraw/zinc/52/40/28/569524028.db2.gz MUOPMGGJPKWPAE-OAHLLOKOSA-N 0 0 434.493 1.766 50 0 IDAARN CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009348348 569524475 /nfs/dbraw/zinc/52/44/75/569524475.db2.gz NAKPFXYKFPBXHW-KWZJRMENSA-N 0 0 438.527 1.767 50 0 IDAARN NC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1Cc1ccc(Br)cc1 ZINC000069951973 569525565 /nfs/dbraw/zinc/52/55/65/569525565.db2.gz FETFHNDXAGPWCY-UHFFFAOYSA-N 0 0 434.275 1.628 50 0 IDAARN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCN(C(=O)c2ccccc2F)CC1 ZINC000069970506 569526015 /nfs/dbraw/zinc/52/60/15/569526015.db2.gz WCZJOPAXAYSXSZ-UHFFFAOYSA-N 0 0 426.492 1.488 50 0 IDAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)N1CCCC1 ZINC000009382024 569528159 /nfs/dbraw/zinc/52/81/59/569528159.db2.gz DTENKKAJUYGAGP-UHFFFAOYSA-N 0 0 430.465 1.088 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)Nc3nccs3)nc(-c3ccccc3)nc2n(C)c1=O ZINC000009382381 569528277 /nfs/dbraw/zinc/52/82/77/569528277.db2.gz UJMVUTKOWPXVFJ-UHFFFAOYSA-N 0 0 440.510 1.882 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NC[C@H]3CCCO3)nc(-c3ccccc3)nc2n(C)c1=O ZINC000009382380 569528279 /nfs/dbraw/zinc/52/82/79/569528279.db2.gz YOKDMDLHXGKJKN-CQSZACIVSA-N 0 0 441.513 1.082 50 0 IDAARN O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1CCS(=O)(=O)C1 ZINC000009390418 569528721 /nfs/dbraw/zinc/52/87/21/569528721.db2.gz JSLZGCCVZFABGE-LBPRGKRZSA-N 0 0 445.906 1.329 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCN2C(=O)c3ccccc3C2=O)cc1 ZINC000009396866 569529230 /nfs/dbraw/zinc/52/92/30/569529230.db2.gz VVXFYJISQDQNTN-SFHVURJKSA-N 0 0 428.466 1.945 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCS(=O)(=O)c1ccccc1 ZINC000070036456 569529319 /nfs/dbraw/zinc/52/93/19/569529319.db2.gz PQWJFXBRIIJTBN-UHFFFAOYSA-N 0 0 432.470 1.223 50 0 IDAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009402853 569529405 /nfs/dbraw/zinc/52/94/05/569529405.db2.gz IXHMQNAGEISFJJ-UHFFFAOYSA-N 0 0 428.466 1.924 50 0 IDAARN Cn1c2ccc(S(=O)(=O)CCC(=O)NC3CCCCCCC3)cc2n(C)c(=O)c1=O ZINC000009407847 569530333 /nfs/dbraw/zinc/53/03/33/569530333.db2.gz SLHMBIUXENARAM-UHFFFAOYSA-N 0 0 435.546 1.630 50 0 IDAARN CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)c1ccccc1 ZINC000009407849 569530342 /nfs/dbraw/zinc/53/03/42/569530342.db2.gz JHDOTNXJLDFHFS-UHFFFAOYSA-N 0 0 429.498 1.454 50 0 IDAARN Cc1cc(C)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c(C)c1 ZINC000009407871 569530420 /nfs/dbraw/zinc/53/04/20/569530420.db2.gz NMSJTUUJEOJATD-UHFFFAOYSA-N 0 0 443.525 1.965 50 0 IDAARN O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccn1 ZINC000009420666 569532700 /nfs/dbraw/zinc/53/27/00/569532700.db2.gz KLZOXINPFXLGIU-CQSZACIVSA-N 0 0 436.921 1.891 50 0 IDAARN O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1cccnc1 ZINC000009422919 569532890 /nfs/dbraw/zinc/53/28/90/569532890.db2.gz PNRJLNIELSNKCJ-AWEZNQCLSA-N 0 0 436.921 1.891 50 0 IDAARN O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCc1cccnc1 ZINC000009422512 569532910 /nfs/dbraw/zinc/53/29/10/569532910.db2.gz SDCVQKMJERMQRC-UHFFFAOYSA-N 0 0 434.500 1.737 50 0 IDAARN CC(C)NC(=S)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21 ZINC000009433953 569534706 /nfs/dbraw/zinc/53/47/06/569534706.db2.gz FLCOCROZJMYCBQ-INIZCTEOSA-N 0 0 429.546 1.943 50 0 IDAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)N[C@H]1C=CS(=O)(=O)C1 ZINC000009435427 569534841 /nfs/dbraw/zinc/53/48/41/569534841.db2.gz ZMHMVIISSIMGCM-AWEZNQCLSA-N 0 0 427.434 1.971 50 0 biogenic IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C[C@@H](C)O1 ZINC000009443876 569535713 /nfs/dbraw/zinc/53/57/13/569535713.db2.gz ZXQIEBHFFJMYIP-CHWSQXEVSA-N 0 0 443.481 1.620 50 0 IDAARN O=C(NCc1nnc2ccccn21)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000009460117 569536864 /nfs/dbraw/zinc/53/68/64/569536864.db2.gz ARBMLDDCQIXRNK-AWEZNQCLSA-N 0 0 449.920 1.770 50 0 IDAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)N(C)Cc3ccc(OC)c(F)c3)C2=O)cc1 ZINC000009463131 569537329 /nfs/dbraw/zinc/53/73/29/569537329.db2.gz BVCAXWUIHHUIBU-UHFFFAOYSA-N 0 0 429.404 1.797 50 0 IDAARN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CS2 ZINC000009465589 569537947 /nfs/dbraw/zinc/53/79/47/569537947.db2.gz FXYRPRXRAGJMJF-YJBOKZPZSA-N 0 0 427.523 1.113 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1c(=O)cnc2ccccc21 ZINC000009465425 569537960 /nfs/dbraw/zinc/53/79/60/569537960.db2.gz VSGZWJUWGYCJBF-UHFFFAOYSA-N 0 0 442.497 1.365 50 0 IDAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000009465827 569538015 /nfs/dbraw/zinc/53/80/15/569538015.db2.gz DPFJCBRWMZLAOE-UHFFFAOYSA-N 0 0 435.889 1.856 50 0 IDAARN CCN(CC)C(=O)Cn1c(=O)c2c(ncn2Cc2ccco2)n(Cc2ccccc2)c1=O ZINC000009466878 569538239 /nfs/dbraw/zinc/53/82/39/569538239.db2.gz PZHJEDWDAWXAOD-UHFFFAOYSA-N 0 0 435.484 1.918 50 0 IDAARN Cn1cc(CN(CCS(=O)(=O)N2CCCC2)C(=O)c2ccc(Br)o2)cn1 ZINC000009485508 569539571 /nfs/dbraw/zinc/53/95/71/569539571.db2.gz RGZYIHTVUVORRK-UHFFFAOYSA-N 0 0 445.339 1.844 50 0 IDAARN O=C(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCC3)NC[C@@H]1CCCO1 ZINC000009479267 569539410 /nfs/dbraw/zinc/53/94/10/569539410.db2.gz VFXPSCHBTUJVDD-JTQLQIEISA-N 0 0 429.531 1.766 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000009483603 569539543 /nfs/dbraw/zinc/53/95/43/569539543.db2.gz YLZOXWXFESIFES-OAHLLOKOSA-N 0 0 449.504 1.990 50 0 IDAARN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NCCc1ccccc1 ZINC000009486909 569539638 /nfs/dbraw/zinc/53/96/38/569539638.db2.gz GUWHAWFABNQFKJ-FUHWJXTLSA-N 0 0 437.496 1.674 50 0 IDAARN COCCNC(=O)[C@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009486689 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IDAARN COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000070902573 569562625 /nfs/dbraw/zinc/56/26/25/569562625.db2.gz FBMCMADKAOIDMX-UHFFFAOYSA-N 0 0 446.529 1.554 50 0 IDAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000009727626 569564033 /nfs/dbraw/zinc/56/40/33/569564033.db2.gz YCBLFBNMBAXGAZ-KXBFYZLASA-N 0 0 439.921 1.285 50 0 IDAARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009728980 569564217 /nfs/dbraw/zinc/56/42/17/569564217.db2.gz IXNYESXIIVAULG-UHFFFAOYSA-N 0 0 449.529 1.355 50 0 IDAARN CC(C)OCCCNC(=O)CCc1nnc2ccc(NCCCN3CCCC3=O)nn21 ZINC000009746331 569565711 /nfs/dbraw/zinc/56/57/11/569565711.db2.gz QHQHKVDJDLQSRL-UHFFFAOYSA-N 0 0 431.541 1.413 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccco1 ZINC000009747000 569565760 /nfs/dbraw/zinc/56/57/60/569565760.db2.gz UKIGZXUIBHKPBF-AWEZNQCLSA-N 0 0 425.532 1.707 50 0 IDAARN O=C(NCC(F)(F)F)c1nnn(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000071005549 569566565 /nfs/dbraw/zinc/56/65/65/569566565.db2.gz UNOCTOQAXPFHDA-UHFFFAOYSA-N 0 0 444.370 1.894 50 0 IDAARN CN(CC(=O)NCc1ccco1)C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000009765861 569566831 /nfs/dbraw/zinc/56/68/31/569566831.db2.gz RKPWOUZVEAJBRB-QGZVFWFLSA-N 0 0 435.502 1.125 50 0 IDAARN O=C(c1n[nH]c(=O)c2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000009781102 569567560 /nfs/dbraw/zinc/56/75/60/569567560.db2.gz KSWUEBMBKRCSKD-UHFFFAOYSA-N 0 0 438.509 1.559 50 0 IDAARN Cn1c2nc(NCCOCCO)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000009781381 569567568 /nfs/dbraw/zinc/56/75/68/569567568.db2.gz WSMFXZKTNADPJR-UHFFFAOYSA-N 0 0 442.303 1.210 50 0 biogenic IDAARN COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000009782408 569567690 /nfs/dbraw/zinc/56/76/90/569567690.db2.gz OXMQJNCZNIWUJW-UHFFFAOYSA-N 0 0 436.310 1.693 50 0 biogenic IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cn3cnc4sccc4c3=O)CC2)cc1 ZINC000009783027 569567789 /nfs/dbraw/zinc/56/77/89/569567789.db2.gz SUXDBMLNBGALEJ-UHFFFAOYSA-N 0 0 446.554 1.690 50 0 IDAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009794947 569568401 /nfs/dbraw/zinc/56/84/01/569568401.db2.gz VJANDOXKNSOQCY-VFNWGFHPSA-N 0 0 429.498 1.252 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2C)cc1 ZINC000009806831 569568927 /nfs/dbraw/zinc/56/89/27/569568927.db2.gz QFCCXGUOHPLTNJ-MRXNPFEDSA-N 0 0 431.514 1.912 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 ZINC000009806877 569568935 /nfs/dbraw/zinc/56/89/35/569568935.db2.gz HXDMJTCWKJMPLD-INIZCTEOSA-N 0 0 449.504 1.420 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(OCC)cc2)n(C)c1=O ZINC000009829406 569570046 /nfs/dbraw/zinc/57/00/46/569570046.db2.gz QGCRAYWKTLYFAG-UHFFFAOYSA-N 0 0 425.445 1.409 50 0 IDAARN COC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(Br)cc2)n(C)c1=O ZINC000009829416 569570064 /nfs/dbraw/zinc/57/00/64/569570064.db2.gz CZDNKVNKKGNKHB-UHFFFAOYSA-N 0 0 446.261 1.383 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccnc4)C3)cc2oc1=O ZINC000009856267 569571606 /nfs/dbraw/zinc/57/16/06/569571606.db2.gz UQRJNCDQOHHBPU-HNNXBMFYSA-N 0 0 430.486 1.244 50 0 IDAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCC1 ZINC000009857969 569571732 /nfs/dbraw/zinc/57/17/32/569571732.db2.gz YVELNNLLHIAFHU-CQSZACIVSA-N 0 0 427.548 1.590 50 0 IDAARN C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009871257 569572398 /nfs/dbraw/zinc/57/23/98/569572398.db2.gz ZCMOBKKHIXZBRF-ZJUUUORDSA-N 0 0 437.503 1.336 50 0 IDAARN O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000009873820 569572579 /nfs/dbraw/zinc/57/25/79/569572579.db2.gz DILVJMQWYXBPNT-JOCHJYFZSA-N 0 0 436.424 1.847 50 0 IDAARN C[C@@H](Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)N1CCNC1=O ZINC000009949519 569574297 /nfs/dbraw/zinc/57/42/97/569574297.db2.gz ARMCDLGCZBYRPV-CYBMUJFWSA-N 0 0 446.485 1.611 50 0 IDAARN CN(CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)Cc1nc2ccccc2o1 ZINC000009951013 569574424 /nfs/dbraw/zinc/57/44/24/569574424.db2.gz QIVZGNODWJJGCZ-UHFFFAOYSA-N 0 0 448.483 1.403 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2nc3c(N4CCC[C@H](C)C4)nccn3c2=O)c1 ZINC000071328211 569575532 /nfs/dbraw/zinc/57/55/32/569575532.db2.gz ORECZBAGGCRHSS-AWEZNQCLSA-N 0 0 426.477 1.783 50 0 IDAARN CC(C)[C@@H](Sc1ccccc1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)C(=O)NC(N)=O ZINC000009963312 569575748 /nfs/dbraw/zinc/57/57/48/569575748.db2.gz POWPEOPILIVMCT-UONOGXRCSA-N 0 0 438.506 1.375 50 0 IDAARN CCOC(=O)C1C(CN2C(=O)C(=O)N(CC(C)C)C2=O)=NC(=O)N[C@H]1c1ccccc1 ZINC000009963543 569575779 /nfs/dbraw/zinc/57/57/79/569575779.db2.gz IICYVBKFRZXNII-INIZCTEOSA-N 0 0 428.445 1.305 50 0 IDAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000010031707 569577335 /nfs/dbraw/zinc/57/73/35/569577335.db2.gz BZDBGTCMZFQIMR-UHFFFAOYSA-N 0 0 447.513 1.533 50 0 IDAARN COc1ccccc1CNC(=O)C[C@@H]1C(=O)Nc2c1c(=O)n(C)c(=O)n2Cc1ccccc1 ZINC000010031365 569577341 /nfs/dbraw/zinc/57/73/41/569577341.db2.gz XPYVNWLVGDHPKE-KRWDZBQOSA-N 0 0 448.479 1.346 50 0 IDAARN Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000010054486 569577591 /nfs/dbraw/zinc/57/75/91/569577591.db2.gz PSNCMJDEBNVODJ-ZDUSSCGKSA-N 0 0 432.488 1.836 50 0 IDAARN COc1ccc(Cl)cc1NCCN1N=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010108790 569577961 /nfs/dbraw/zinc/57/79/61/569577961.db2.gz CZBPMTXBCAVEKK-UHFFFAOYSA-N 0 0 431.884 1.404 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2C1=O)N(CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000010212913 569578963 /nfs/dbraw/zinc/57/89/63/569578963.db2.gz KLUZRGIEQSSQPB-GOSISDBHSA-N 0 0 440.521 1.931 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2Cl)c(=O)n3C)n1CCOCCO ZINC000010233642 569579640 /nfs/dbraw/zinc/57/96/40/569579640.db2.gz NIXCMFFKLHGIRP-UHFFFAOYSA-N 0 0 445.907 1.477 50 0 IDAARN C[C@H](CSc1ncccn1)Cn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000010249171 569579779 /nfs/dbraw/zinc/57/97/79/569579779.db2.gz HDCOBHNUCYPCIF-AWEZNQCLSA-N 0 0 429.550 1.878 50 0 IDAARN Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NC[C@H]2CCCO2)CS(=O)(=O)C3)c(C)c1 ZINC000010250617 569579788 /nfs/dbraw/zinc/57/97/88/569579788.db2.gz YRESPBZBBBUGCL-CQSZACIVSA-N 0 0 432.502 1.151 50 0 IDAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1cccs1)CS(=O)(=O)C2 ZINC000010250600 569579799 /nfs/dbraw/zinc/57/97/99/569579799.db2.gz QVELMBYVDBEPKZ-UHFFFAOYSA-N 0 0 430.511 1.926 50 0 IDAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3nccs3)CC2)cc1OC ZINC000010270039 569580039 /nfs/dbraw/zinc/58/00/39/569580039.db2.gz RJZAXYCRXZMDBX-UHFFFAOYSA-N 0 0 440.547 1.178 50 0 IDAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000010273364 569580213 /nfs/dbraw/zinc/58/02/13/569580213.db2.gz AYWVTOONSPCCTH-LJQANCHMSA-N 0 0 446.481 1.964 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000010274064 569580380 /nfs/dbraw/zinc/58/03/80/569580380.db2.gz NFTRNLWPYWZKLY-KRWDZBQOSA-N 0 0 441.532 1.860 50 0 IDAARN COc1ccc(NC(=O)CCn2c3ccccc3n(C)c2=O)cc1S(=O)(=O)N(C)C ZINC000010288568 569580538 /nfs/dbraw/zinc/58/05/38/569580538.db2.gz TXPDGLPIJYYIJN-UHFFFAOYSA-N 0 0 432.502 1.628 50 0 IDAARN CCOC(=O)c1sc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)nc1C ZINC000061720785 569584384 /nfs/dbraw/zinc/58/43/84/569584384.db2.gz ZMLOXRYULGWWRN-HNNXBMFYSA-N 0 0 445.545 2.487 50 0 IDAARN CCc1sc(NC(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)nc1C(=O)OC ZINC000079494068 569584950 /nfs/dbraw/zinc/58/49/50/569584950.db2.gz FLYJQWVUKODPPW-NSHDSACASA-N 0 0 426.520 1.917 50 0 IDAARN COc1cccc2nnc(NC(=O)CCC(=O)NCc3ccc(Br)cc3)n21 ZINC000065314458 569584868 /nfs/dbraw/zinc/58/48/68/569584868.db2.gz VHPYXNNONIGTKY-UHFFFAOYSA-N 0 0 432.278 2.536 50 0 IDAARN CS(=O)(=O)c1ccc2nc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)sc2c1 ZINC000036594823 569584883 /nfs/dbraw/zinc/58/48/83/569584883.db2.gz IYSGXJZJPPYPKF-CQSZACIVSA-N 0 0 444.494 2.429 50 0 IDAARN Cc1ccccc1-n1nnc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccncc1 ZINC000077100789 569585486 /nfs/dbraw/zinc/58/54/86/569585486.db2.gz ZTOYDDAUGUTHQD-UHFFFAOYSA-N 0 0 426.502 1.355 50 0 IDAARN O=S(=O)(NC[C@H]1COC2(CCCCC2)O1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200695 569586523 /nfs/dbraw/zinc/58/65/23/569586523.db2.gz GPUUDKUPIDCZCK-KRWDZBQOSA-N 0 0 444.575 1.971 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3nc4ccccc4[nH]3)C2)c1 ZINC000021928028 569587146 /nfs/dbraw/zinc/58/71/46/569587146.db2.gz XZFJHJDQYFZEGH-HNNXBMFYSA-N 0 0 430.534 1.539 50 0 IDAARN CCN(C)C(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)n(Cc2ccccc2C)c1=O ZINC000036088246 569587862 /nfs/dbraw/zinc/58/78/62/569587862.db2.gz BQJSYKNUWXVFMM-UHFFFAOYSA-N 0 0 438.484 1.860 50 0 IDAARN CCC(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000037525239 569588035 /nfs/dbraw/zinc/58/80/35/569588035.db2.gz QKTCPAGKHKGITA-NRFANRHFSA-N 0 0 442.560 1.645 50 0 IDAARN COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1[C@@H](C(=O)OC)CC2 ZINC000000622386 193859355 /nfs/dbraw/zinc/85/93/55/193859355.db2.gz QPUZTCGJHZZWGE-LBPRGKRZSA-N 0 0 442.449 1.972 50 0 IDAARN COc1ccc(OC[C@H](O)Cn2c(Nc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000637989 193866390 /nfs/dbraw/zinc/86/63/90/193866390.db2.gz RTHVDHPKAUTVQZ-OAHLLOKOSA-N 0 0 437.456 1.615 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2)n(C)c1=O ZINC000006089408 193878513 /nfs/dbraw/zinc/87/85/13/193878513.db2.gz XVFGVZSBFOZMHA-GFCCVEGCSA-N 0 0 431.880 1.901 50 0 IDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCc1nnc2ccccn21 ZINC000096224229 193936661 /nfs/dbraw/zinc/93/66/61/193936661.db2.gz YNDJCAQUWIHBAF-INIZCTEOSA-N 0 0 440.891 1.942 50 0 IDAARN O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009127913 132226807 /nfs/dbraw/zinc/22/68/07/132226807.db2.gz DFTMSZYFKMGPKO-UHFFFAOYSA-N 0 0 426.498 1.703 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000000627928 132228182 /nfs/dbraw/zinc/22/81/82/132228182.db2.gz QCTKVZAJFHTKKC-UHFFFAOYSA-N 0 0 433.530 1.673 50 0 IDAARN COc1cccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)c1 ZINC000000886446 132232573 /nfs/dbraw/zinc/23/25/73/132232573.db2.gz XNTYDPVHFOZSGV-UHFFFAOYSA-N 0 0 433.530 1.819 50 0 IDAARN C[C@@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000009569897 132235095 /nfs/dbraw/zinc/23/50/95/132235095.db2.gz ZIHJOENPSWMZOM-QGZVFWFLSA-N 0 0 435.521 1.861 50 0 IDAARN O=C(COc1ccccc1F)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009570008 132235240 /nfs/dbraw/zinc/23/52/40/132235240.db2.gz IGMPXMUBIWOFOL-UHFFFAOYSA-N 0 0 439.484 1.612 50 0 IDAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000010216258 132243595 /nfs/dbraw/zinc/24/35/95/132243595.db2.gz ZPKNHEVCQZMZEC-UHFFFAOYSA-N 0 0 439.541 1.382 50 0 IDAARN COc1ccc2c(c1)C(=c1sc3n(c1=O)CN(c1cccc(C(C)=O)c1)CN=3)C(=O)N2 ZINC000002230986 132249617 /nfs/dbraw/zinc/24/96/17/132249617.db2.gz PPWHINPYJYCEMX-HNENSFHCSA-N 0 0 434.477 1.327 50 0 IDAARN O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CN(c1ccc(Br)cc1)CN=2 ZINC000002247642 132250009 /nfs/dbraw/zinc/25/00/09/132250009.db2.gz DEFNRXZAENXCQK-NXVVXOECSA-N 0 0 441.310 1.878 50 0 IDAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)NCCN1CCN(c2ccccc2F)CC1 ZINC000002929260 132259062 /nfs/dbraw/zinc/25/90/62/132259062.db2.gz HQUXLTKTIYQPJC-CSKARUKUSA-N 0 0 437.541 1.755 50 0 IDAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ncccn2)CC1 ZINC000003229572 132262530 /nfs/dbraw/zinc/26/25/30/132262530.db2.gz NMYKCGPFCQSVND-UHFFFAOYSA-N 0 0 435.937 1.877 50 0 IDAARN O=C(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003247264 132262757 /nfs/dbraw/zinc/26/27/57/132262757.db2.gz YOSBMBADPXZLFT-UHFFFAOYSA-N 0 0 431.514 1.796 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccc2nonc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003665253 132267281 /nfs/dbraw/zinc/26/72/81/132267281.db2.gz KTHKQMZDGHYZOX-UHFFFAOYSA-N 0 0 449.920 1.893 50 0 IDAARN CS(=O)(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1 ZINC000006198767 132276728 /nfs/dbraw/zinc/27/67/28/132276728.db2.gz ZJKGNBOVMLXPQQ-HXUWFJFHSA-N 0 0 427.526 1.540 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)CCC(=O)N1CCN(c3ccccc3)CC1)OCC(=O)N2 ZINC000008588708 132283284 /nfs/dbraw/zinc/28/32/84/132283284.db2.gz LAIQGTRZLSEJGF-UHFFFAOYSA-N 0 0 443.525 1.839 50 0 IDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)NCc1cccnc1 ZINC000008662306 132289491 /nfs/dbraw/zinc/28/94/91/132289491.db2.gz XKBRURPCFVBVQL-UHFFFAOYSA-N 0 0 446.554 1.621 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nc1 ZINC000008705422 132291151 /nfs/dbraw/zinc/29/11/51/132291151.db2.gz NTENRVAACWKHJL-FQEVSTJZSA-N 0 0 431.562 1.461 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=N2)cc1 ZINC000008758142 132293255 /nfs/dbraw/zinc/29/32/55/132293255.db2.gz BUIHEPKWFXYKHP-FQEVSTJZSA-N 0 0 434.500 1.650 50 0 IDAARN Cn1c2nc(N3CCN(c4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000008775112 132294044 /nfs/dbraw/zinc/29/40/44/132294044.db2.gz JREMWAJJJOAPQJ-UHFFFAOYSA-N 0 0 448.502 1.948 50 0 IDAARN COc1cccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000008831112 132295382 /nfs/dbraw/zinc/29/53/82/132295382.db2.gz POKRAMGJHLOMEY-UHFFFAOYSA-N 0 0 449.554 1.701 50 0 IDAARN CCCCS(=O)(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008846629 132295857 /nfs/dbraw/zinc/29/58/57/132295857.db2.gz MLSJFPPDRRVQDR-UHFFFAOYSA-N 0 0 447.579 1.086 50 0 IDAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21)Nc1cccc(F)c1 ZINC000009116787 132303996 /nfs/dbraw/zinc/30/39/96/132303996.db2.gz KDFZXCWHYPCYCE-UHFFFAOYSA-N 0 0 433.461 1.974 50 0 IDAARN O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000009207774 132308636 /nfs/dbraw/zinc/30/86/36/132308636.db2.gz JMEATQFLLJSUNI-HXUWFJFHSA-N 0 0 425.441 1.480 50 0 IDAARN CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000009223043 132309658 /nfs/dbraw/zinc/30/96/58/132309658.db2.gz CBVNKAMBPZPVDW-KRWDZBQOSA-N 0 0 437.566 1.088 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000009223254 132309667 /nfs/dbraw/zinc/30/96/67/132309667.db2.gz FSEMAZBZTABKJU-IBGZPJMESA-N 0 0 429.546 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COC(=O)CN(C)C(=O)[C@H]1CCCN(c2nc(C)c3ccc(S(C)(=O)=O)cc3n2)C1 ZINC000011782357 132339537 /nfs/dbraw/zinc/33/95/37/132339537.db2.gz KBAYIFUAOLBHSX-AWEZNQCLSA-N 0 0 434.518 1.190 50 0 IDAARN Cc1cnc(C)c(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3CCc3ccccc3)CC2)n1 ZINC000011814414 132340486 /nfs/dbraw/zinc/34/04/86/132340486.db2.gz JUTDKLKZAMYFIW-OAQYLSRUSA-N 0 0 436.560 1.175 50 0 IDAARN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCc2ccccc21 ZINC000012972482 132341120 /nfs/dbraw/zinc/34/11/20/132341120.db2.gz ZNTFBNQRJXOMFS-GOEBONIOSA-N 0 0 447.513 1.063 50 0 IDAARN O=C(c1cnc2n(c1=O)CCS2)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000012990961 132341526 /nfs/dbraw/zinc/34/15/26/132341526.db2.gz LWMTZHWJGWVPLM-QGZVFWFLSA-N 0 0 426.498 1.769 50 0 IDAARN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000013001504 132341622 /nfs/dbraw/zinc/34/16/22/132341622.db2.gz HAPHOPDTCVADPU-ZDUSSCGKSA-N 0 0 427.461 1.206 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1N1CCOCC1 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CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000012569349 518460533 /nfs/dbraw/zinc/46/05/33/518460533.db2.gz ZMGUORZZFJIZEF-UHFFFAOYSA-N 0 0 429.542 1.902 50 0 IDAARN C/C(Cl)=C\Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000012442704 518475777 /nfs/dbraw/zinc/47/57/77/518475777.db2.gz VFTBRINQBBCGGH-OQLLNIDSSA-N 0 0 428.924 1.903 50 0 IDAARN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N=CN3)CC1 ZINC000020935159 518811147 /nfs/dbraw/zinc/81/11/47/518811147.db2.gz JOLLUICVBMEKEQ-UHFFFAOYSA-N 0 0 430.508 1.071 50 0 IDAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245266228 519293756 /nfs/dbraw/zinc/29/37/56/519293756.db2.gz JHQJSMXNCJJRPE-UMVBOHGHSA-N 0 0 447.513 1.695 50 0 IDAARN CC(C)Cn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nnc1N1CCOCC1 ZINC000024171814 519489677 /nfs/dbraw/zinc/48/96/77/519489677.db2.gz RBLUMLHIZXRLIJ-UHFFFAOYSA-N 0 0 441.579 1.589 50 0 IDAARN CC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000012934110 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JVBQFRWGKLBABO-UHFFFAOYSA-N 0 0 432.502 1.611 50 0 IDAARN CCN1C2=C(C(=O)N(CCC(=O)NN3CCOCC3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035967473 521542955 /nfs/dbraw/zinc/54/29/55/521542955.db2.gz YMECJJRIPMOUIO-OAQYLSRUSA-N 0 0 441.532 1.239 50 0 IDAARN CCOC(=O)c1noc2nc(C)n(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)c12 ZINC000021648600 521607141 /nfs/dbraw/zinc/60/71/41/521607141.db2.gz UMSJXBJPSAHQFH-UHFFFAOYSA-N 0 0 443.435 1.358 50 0 IDAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000016695021 521614751 /nfs/dbraw/zinc/61/47/51/521614751.db2.gz XBISSXFGIVEZRP-UHFFFAOYSA-N 0 0 427.552 1.743 50 0 IDAARN CCOc1nn(CC)cc1C(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1 ZINC000021011446 521627368 /nfs/dbraw/zinc/62/73/68/521627368.db2.gz XTVKSRNNHKLVME-UHFFFAOYSA-N 0 0 426.524 1.356 50 0 IDAARN CCCn1c(CN2CCN(c3ncccn3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000020681465 521629061 /nfs/dbraw/zinc/62/90/61/521629061.db2.gz OJQPMCRZHARINX-UHFFFAOYSA-N 0 0 443.577 1.809 50 0 IDAARN CCCn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c(=O)[nH]c1=O ZINC000021466288 521632326 /nfs/dbraw/zinc/63/23/26/521632326.db2.gz KSIDFLHMNUKMIG-UHFFFAOYSA-N 0 0 429.502 1.795 50 0 IDAARN CCCn1c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O ZINC000012879506 521638736 /nfs/dbraw/zinc/63/87/36/521638736.db2.gz IGDZLWYZZXWJSO-UHFFFAOYSA-N 0 0 442.541 1.746 50 0 IDAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(OC)c2)[C@@](C)(C(=O)NCc2ccccc2)C1 ZINC000021528674 521659991 /nfs/dbraw/zinc/65/99/91/521659991.db2.gz IADQWAJLYHSESV-JOCHJYFZSA-N 0 0 445.541 1.769 50 0 IDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(OC)cc1OC ZINC000021887655 521663237 /nfs/dbraw/zinc/66/32/37/521663237.db2.gz SAUIRDWGAZORHB-UHFFFAOYSA-N 0 0 438.502 1.700 50 0 biogenic IDAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3s2)CC1 ZINC000021886410 521701596 /nfs/dbraw/zinc/70/15/96/521701596.db2.gz OBUNWCOTCCZKLX-UHFFFAOYSA-N 0 0 442.501 1.362 50 0 IDAARN CCOCCCNC(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1 ZINC000033275760 521711470 /nfs/dbraw/zinc/71/14/70/521711470.db2.gz WQHBEKAURXYAKH-UHFFFAOYSA-N 0 0 430.553 1.529 50 0 IDAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccccc3F)NC(=O)N2C)CC1 ZINC000036003950 521739839 /nfs/dbraw/zinc/73/98/39/521739839.db2.gz NBCJOWAJAKYRAA-LJQANCHMSA-N 0 0 447.511 1.686 50 0 IDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C)cc1Cl)c(=O)n2C ZINC000012447175 521825679 /nfs/dbraw/zinc/82/56/79/521825679.db2.gz VDZINURKCFQQNL-UHFFFAOYSA-N 0 0 430.848 1.791 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1ccc(C)c(F)c1)c(=O)n2C ZINC000012462338 521828491 /nfs/dbraw/zinc/82/84/91/521828491.db2.gz CQBHLTBBZRIAGF-UHFFFAOYSA-N 0 0 440.431 1.845 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1cccc(OC)c1)c(=O)n2C ZINC000012427946 521829317 /nfs/dbraw/zinc/82/93/17/521829317.db2.gz XTZMAZMEIMJSIZ-UHFFFAOYSA-N 0 0 438.440 1.407 50 0 IDAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000022320945 521835684 /nfs/dbraw/zinc/83/56/84/521835684.db2.gz BZRZCYSGLXGJGD-QFIPXVFZSA-N 0 0 438.440 1.267 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3ccno3)c2)cn1C ZINC000021882105 521905931 /nfs/dbraw/zinc/90/59/31/521905931.db2.gz NCXOMOKNLGYXCZ-UHFFFAOYSA-N 0 0 432.458 1.726 50 0 IDAARN CNC(=O)c1cn(-c2ccc(SCC(=O)NCc3ccc4c(c3)OCO4)nn2)cn1 ZINC000033310095 521922674 /nfs/dbraw/zinc/92/26/74/521922674.db2.gz LFXDGOUUVJANSL-UHFFFAOYSA-N 0 0 426.458 1.159 50 0 IDAARN CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OC ZINC000239284847 521971253 /nfs/dbraw/zinc/97/12/53/521971253.db2.gz CEGPBAXRSWZXAA-XSWJXKHESA-N 0 0 426.535 1.802 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000012632407 521982180 /nfs/dbraw/zinc/98/21/80/521982180.db2.gz BIGYRCKHQPEQQN-KRWDZBQOSA-N 0 0 428.898 1.249 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2cnn(-c3ccccc3)c2)c1 ZINC000022132842 521985412 /nfs/dbraw/zinc/98/54/12/521985412.db2.gz GKCAQVKTYBVROC-UHFFFAOYSA-N 0 0 444.513 1.884 50 0 IDAARN COC(=O)c1ccc(CNC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 ZINC000012880229 522025671 /nfs/dbraw/zinc/02/56/71/522025671.db2.gz URJIECRXKMUMMS-UHFFFAOYSA-N 0 0 442.468 1.649 50 0 IDAARN COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C ZINC000012231853 522053257 /nfs/dbraw/zinc/05/32/57/522053257.db2.gz AGDWMECJTUMCBI-UHFFFAOYSA-N 0 0 426.452 1.533 50 0 IDAARN COCCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nnc1-c1ccncc1 ZINC000022133991 522071243 /nfs/dbraw/zinc/07/12/43/522071243.db2.gz YCJBCOBLBIRSBW-UHFFFAOYSA-N 0 0 434.566 1.306 50 0 IDAARN COC(=O)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000020767154 522092290 /nfs/dbraw/zinc/09/22/90/522092290.db2.gz ITCBKWXGPHOECH-UHFFFAOYSA-N 0 0 428.464 1.807 50 0 IDAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2)no1 ZINC000033086737 522145876 /nfs/dbraw/zinc/14/58/76/522145876.db2.gz TVVCOOZSZZKBDR-UHFFFAOYSA-N 0 0 448.545 1.867 50 0 IDAARN CC[C@@H](C)NC(=O)Cn1cnc2nc(N3CCC[C@H](C(=O)NC4CC4)C3)sc2c1=O ZINC000035261258 522174607 /nfs/dbraw/zinc/17/46/07/522174607.db2.gz OREFMCFJGMIKNK-OLZOCXBDSA-N 0 0 432.550 1.263 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@H](CO)C(C)C ZINC000012881785 522378321 /nfs/dbraw/zinc/37/83/21/522378321.db2.gz GOIWTMSFBJMTAQ-QKWCYAJMSA-N 0 0 433.574 1.920 50 0 biogenic IDAARN COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccncc2C)cc(OC)c1 ZINC000012306819 522387499 /nfs/dbraw/zinc/38/74/99/522387499.db2.gz AGWDJQMPGZGLAG-OAQYLSRUSA-N 0 0 426.517 1.756 50 0 IDAARN CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000021146631 522477894 /nfs/dbraw/zinc/47/78/94/522477894.db2.gz DFCGDBVUHMFTOG-UHFFFAOYSA-N 0 0 437.905 1.650 50 0 IDAARN CN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1cnn(-c2ccccc2)c1 ZINC000012569217 522491551 /nfs/dbraw/zinc/49/15/51/522491551.db2.gz ZASNNZQBNQPLGS-HSZRJFAPSA-N 0 0 432.484 1.803 50 0 IDAARN CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)C1CCCC1 ZINC000013007052 522503837 /nfs/dbraw/zinc/50/38/37/522503837.db2.gz QCNJUKIRIHHUAM-UHFFFAOYSA-N 0 0 443.953 1.948 50 0 IDAARN COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc(OC)c1OC ZINC000021030952 522709276 /nfs/dbraw/zinc/70/92/76/522709276.db2.gz RAYLKZDPVVEDRF-CYBMUJFWSA-N 0 0 438.506 1.485 50 0 IDAARN COc1cc(NC(=O)c2nn(-c3ccc(C)cc3)c(=O)n(C)c2=O)cc(OC)c1OC ZINC000021095970 522735233 /nfs/dbraw/zinc/73/52/33/522735233.db2.gz PHBRLCXFPKXRPP-UHFFFAOYSA-N 0 0 426.429 1.518 50 0 IDAARN COC(=O)/C=C(\C(=O)OC)N1CCN(C(=S)c2cccc(Br)c2)CC1 ZINC000012420696 522741576 /nfs/dbraw/zinc/74/15/76/522741576.db2.gz WSJVITALJQLPIR-SDNWHVSQSA-N 0 0 427.320 1.972 50 0 IDAARN CCc1nnc(NC(=O)Cn2c(=O)c3cnc(-c4ccc(C)cc4)nc3n(C)c2=O)s1 ZINC000021708812 522763815 /nfs/dbraw/zinc/76/38/15/522763815.db2.gz YPMZYGUTPJTODW-UHFFFAOYSA-N 0 0 437.485 1.518 50 0 IDAARN COC(=O)C1CCN(C(=O)Cn2nc(C(=O)N3CCOCC3)cc2-c2cccs2)CC1 ZINC000023142136 522908840 /nfs/dbraw/zinc/90/88/40/522908840.db2.gz ZGTBUUDUIHBVEU-UHFFFAOYSA-N 0 0 446.529 1.496 50 0 IDAARN COc1cc2c(cc1OC)CN(C(=O)CC1(n3cccc3)CCOCC1)[C@H](C(N)=O)C2 ZINC000263585224 523025505 /nfs/dbraw/zinc/02/55/05/523025505.db2.gz GMDORJNTVGHPEA-SFHVURJKSA-N 0 0 427.501 1.840 50 0 biogenic IDAARN COC(=O)CCCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000011953023 523028884 /nfs/dbraw/zinc/02/88/84/523028884.db2.gz XGQXBYGZQXPZLR-UHFFFAOYSA-N 0 0 432.926 1.826 50 0 IDAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N4CCN(CCO)CC4)ccc32)cc1 ZINC000020622015 523088394 /nfs/dbraw/zinc/08/83/94/523088394.db2.gz WTVXWAZJYAZIJG-UHFFFAOYSA-N 0 0 438.480 1.984 50 0 biogenic IDAARN CCn1c(=O)cc(C(=O)Nc2ccc(OC)cc2OC)c2c(=O)n(CC)c(=O)n(C)c21 ZINC000035422304 523111666 /nfs/dbraw/zinc/11/16/66/523111666.db2.gz LBJMJPCUXVVNTB-UHFFFAOYSA-N 0 0 428.445 1.171 50 0 IDAARN COC(=O)CC[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC)C(=O)OC ZINC000020763133 523119095 /nfs/dbraw/zinc/11/90/95/523119095.db2.gz RGJMHCAKKBGZKJ-KXBFYZLASA-N 0 0 430.461 1.570 50 0 biogenic IDAARN COCCCN(C(=O)Cc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012817229 523193024 /nfs/dbraw/zinc/19/30/24/523193024.db2.gz XJTIJQOMDLRNFQ-UHFFFAOYSA-N 0 0 440.475 1.918 50 0 IDAARN COC(=O)CNC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 ZINC000022416565 523203703 /nfs/dbraw/zinc/20/37/03/523203703.db2.gz UBTFKZXKWPQZPX-UHFFFAOYSA-N 0 0 431.832 1.607 50 0 IDAARN CCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccoc1C ZINC000012683235 523220598 /nfs/dbraw/zinc/22/05/98/523220598.db2.gz CGXOKRFVDYFDTD-UHFFFAOYSA-N 0 0 449.558 1.965 50 0 IDAARN CCn1c(SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)nnc1N1CCOCC1 ZINC000012788661 523221551 /nfs/dbraw/zinc/22/15/51/523221551.db2.gz DFMNPGKGCFFCFI-QGZVFWFLSA-N 0 0 445.545 1.353 50 0 IDAARN COCCCN(Cc1ncc(Cl)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023357615 523269627 /nfs/dbraw/zinc/26/96/27/523269627.db2.gz FDLNBVSXLBCCRW-UHFFFAOYSA-N 0 0 432.912 1.597 50 0 IDAARN COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCN(C(C)=O)C4)cc1 ZINC000013362775 523323002 /nfs/dbraw/zinc/32/30/02/523323002.db2.gz AQOPAVOJEWGYDW-UHFFFAOYSA-N 0 0 444.538 1.938 50 0 IDAARN CN(Cc1ccccc1)C(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019077242 523324926 /nfs/dbraw/zinc/32/49/26/523324926.db2.gz RQYBNFHKHDXJAS-UHFFFAOYSA-N 0 0 445.570 1.656 50 0 IDAARN COC(=O)C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(OC)c(OC)c1 ZINC000022139684 523338547 /nfs/dbraw/zinc/33/85/47/523338547.db2.gz OUUVSKIRHAUECT-KRWDZBQOSA-N 0 0 429.473 1.970 50 0 IDAARN COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 ZINC000021204455 523358684 /nfs/dbraw/zinc/35/86/84/523358684.db2.gz BWZPHYKDHXQDGD-UHFFFAOYSA-N 0 0 434.503 1.358 50 0 IDAARN COc1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC ZINC000020609754 523358893 /nfs/dbraw/zinc/35/88/93/523358893.db2.gz JINFHAQXGMKQFX-GOSISDBHSA-N 0 0 425.445 1.994 50 0 biogenic IDAARN CN(Cc1ccccc1F)C(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 ZINC000019054003 523367789 /nfs/dbraw/zinc/36/77/89/523367789.db2.gz LBWVDMBQTBPLEF-UHFFFAOYSA-N 0 0 433.461 1.456 50 0 IDAARN COc1ccc(Br)cc1CN(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000022529470 523497874 /nfs/dbraw/zinc/49/78/74/523497874.db2.gz QVGASYXYZMXHKR-UHFFFAOYSA-N 0 0 447.289 1.676 50 0 IDAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1cnc(S(=O)(=O)N2CCCCC2)c1 ZINC000020994568 523507004 /nfs/dbraw/zinc/50/70/04/523507004.db2.gz ADRHHDDZGCSVKR-UHFFFAOYSA-N 0 0 442.545 1.902 50 0 IDAARN CCn1ccnc1CNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000012316595 523539421 /nfs/dbraw/zinc/53/94/21/523539421.db2.gz KDXPJDPVZISICF-UHFFFAOYSA-N 0 0 435.550 1.483 50 0 IDAARN COC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000041157820 523565531 /nfs/dbraw/zinc/56/55/31/523565531.db2.gz VSQDCEWNLBOIII-MRXNPFEDSA-N 0 0 425.913 1.670 50 0 IDAARN COC(=O)[C@@H](CSCc1ccccc1)NC(=O)COC(=O)CNC(=O)c1ccccc1 ZINC000012417329 523590891 /nfs/dbraw/zinc/59/08/91/523590891.db2.gz DXBQIZQZYVXZOD-GOSISDBHSA-N 0 0 444.509 1.551 50 0 IDAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000012886533 523593985 /nfs/dbraw/zinc/59/39/85/523593985.db2.gz SJZKTGOZDCEJOJ-LJQANCHMSA-N 0 0 447.488 1.828 50 0 IDAARN COc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000012871406 523646247 /nfs/dbraw/zinc/64/62/47/523646247.db2.gz OGWVGDLVOYXRBO-UHFFFAOYSA-N 0 0 449.529 1.267 50 0 IDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1OC ZINC000012390933 523650420 /nfs/dbraw/zinc/65/04/20/523650420.db2.gz IOVGQJLNTPJIHS-UHFFFAOYSA-N 0 0 448.526 1.855 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)NC[C@H]1CCCO1 ZINC000035373913 523669695 /nfs/dbraw/zinc/66/96/95/523669695.db2.gz UEEYOQCVBLETPN-GOSISDBHSA-N 0 0 439.516 1.226 50 0 IDAARN CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccc(OC)cc1 ZINC000035374222 523671560 /nfs/dbraw/zinc/67/15/60/523671560.db2.gz GYPDLUFPBNLNLZ-UHFFFAOYSA-N 0 0 437.456 1.977 50 0 IDAARN COc1ccc(C(=O)N2[C@H](C(=O)NC3CC3)COC23CCN(C(=O)C2CCC2)CC3)cc1 ZINC000036018200 523677521 /nfs/dbraw/zinc/67/75/21/523677521.db2.gz HXTGUCBRSOVINV-FQEVSTJZSA-N 0 0 441.528 1.934 50 0 IDAARN CN1C(=O)c2cc(C(=O)NC[C@H]3CCCO3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875372 523729515 /nfs/dbraw/zinc/72/95/15/523729515.db2.gz GYGICOFXNMTZNI-ZHRRBRCNSA-N 0 0 431.537 1.475 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCCc3ccco3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876440 523729807 /nfs/dbraw/zinc/72/98/07/523729807.db2.gz GCZYTCLHLXINNQ-QHCPKHFHSA-N 0 0 435.484 1.609 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3ccccc3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876011 523730812 /nfs/dbraw/zinc/73/08/12/523730812.db2.gz MHWTYXOAKSPQNP-DEOSSOPVSA-N 0 0 431.496 1.974 50 0 IDAARN CN1C(=O)c2cc(C(=O)NCc3ccccc3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876014 523731364 /nfs/dbraw/zinc/73/13/64/523731364.db2.gz MHWTYXOAKSPQNP-XMMPIXPASA-N 0 0 431.496 1.974 50 0 IDAARN CN(C(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000021184537 523841539 /nfs/dbraw/zinc/84/15/39/523841539.db2.gz LCYXABHTRWZJCU-CYBMUJFWSA-N 0 0 444.966 1.785 50 0 IDAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 ZINC000012631009 523870785 /nfs/dbraw/zinc/87/07/85/523870785.db2.gz ZKZLUTJXPWOQOU-UHFFFAOYSA-N 0 0 439.468 1.358 50 0 IDAARN COc1ccc(C2=NN(C(=O)CN(C)CC(=O)N3CCOCC3)[C@@H](c3ccco3)C2)cc1 ZINC000012684117 523874812 /nfs/dbraw/zinc/87/48/12/523874812.db2.gz SMONKWBWKXUYKR-HXUWFJFHSA-N 0 0 440.500 1.757 50 0 IDAARN COc1ccc(C2=NO[C@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C2)cc1 ZINC000020602412 523881377 /nfs/dbraw/zinc/88/13/77/523881377.db2.gz OPPIJYYREGZZEA-FQEVSTJZSA-N 0 0 429.498 1.721 50 0 IDAARN COCCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000022912081 523892332 /nfs/dbraw/zinc/89/23/32/523892332.db2.gz IHJNXGZPUIDICP-UHFFFAOYSA-N 0 0 431.364 1.332 50 0 IDAARN COC(=O)[C@H](CC(C)C)NC(=O)CSc1nc(=O)cc(N)n1CCc1ccccc1 ZINC000012401326 523893609 /nfs/dbraw/zinc/89/36/09/523893609.db2.gz BMYBYBZXDYKDIF-INIZCTEOSA-N 0 0 432.546 1.864 50 0 IDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000035404962 523894608 /nfs/dbraw/zinc/89/46/08/523894608.db2.gz AZNHCVSHOKQHGN-UHFFFAOYSA-N 0 0 445.497 1.102 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000012850949 523900184 /nfs/dbraw/zinc/90/01/84/523900184.db2.gz CLBVBMTUESGLDM-AWEZNQCLSA-N 0 0 433.552 1.103 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000041154586 523900378 /nfs/dbraw/zinc/90/03/78/523900378.db2.gz QKGSTZFFQCICCQ-ZDUSSCGKSA-N 0 0 428.507 1.243 50 0 IDAARN COc1ccc(CC(=O)N[C@H](C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000012420666 523905946 /nfs/dbraw/zinc/90/59/46/523905946.db2.gz VZOUIASPPBZZIX-FQEVSTJZSA-N 0 0 432.498 1.013 50 0 IDAARN CCc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528847 523923570 /nfs/dbraw/zinc/92/35/70/523923570.db2.gz OICLRCSTZRWODL-HSZRJFAPSA-N 0 0 443.569 1.928 50 0 IDAARN CCc1ccc(Cn2nccc2NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000021599593 523955508 /nfs/dbraw/zinc/95/55/08/523955508.db2.gz PAVMWMYFLKZWRM-KRWDZBQOSA-N 0 0 443.529 1.598 50 0 IDAARN COc1ccc(CCNC(=O)Cn2nc3c(N4CCCCC4)nccn3c2=O)cc1OC ZINC000035528157 523962243 /nfs/dbraw/zinc/96/22/43/523962243.db2.gz BHTWKWAIBSFBKH-UHFFFAOYSA-N 0 0 440.504 1.257 50 0 IDAARN COc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1OC ZINC000012005928 523970088 /nfs/dbraw/zinc/97/00/88/523970088.db2.gz KEGBHZDVQQNIBR-CQSZACIVSA-N 0 0 432.498 1.989 50 0 biogenic IDAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN2CCN(C(C)=O)CC2)cc1 ZINC000012634207 523970922 /nfs/dbraw/zinc/97/09/22/523970922.db2.gz HLFXRSJECDJXER-UHFFFAOYSA-N 0 0 438.528 1.770 50 0 IDAARN CN(C)C(=O)CN1C(=O)COc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000035560192 523985809 /nfs/dbraw/zinc/98/58/09/523985809.db2.gz AMKGKVWPFBDHHQ-UHFFFAOYSA-N 0 0 440.475 1.602 50 0 IDAARN CN(C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1 ZINC000012413904 524004283 /nfs/dbraw/zinc/00/42/83/524004283.db2.gz ZTVXCXHPKWUCEW-UHFFFAOYSA-N 0 0 449.360 1.874 50 0 IDAARN COc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000021528769 524019796 /nfs/dbraw/zinc/01/97/96/524019796.db2.gz LZXJCWDOBRXFCN-JOCHJYFZSA-N 0 0 445.541 1.374 50 0 IDAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)N[C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000020610713 524020366 /nfs/dbraw/zinc/02/03/66/524020366.db2.gz JBPHKLSPHJFFQO-BQJJVBGXSA-N 0 0 449.507 1.613 50 0 biogenic IDAARN COc1ccc(CNC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000022773150 524050271 /nfs/dbraw/zinc/05/02/71/524050271.db2.gz FHJPTXLANITEGC-UHFFFAOYSA-N 0 0 427.501 1.867 50 0 IDAARN COc1ccc(CNC(=O)CNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)cc1 ZINC000021782242 524051647 /nfs/dbraw/zinc/05/16/47/524051647.db2.gz VSRAFSQYHQERPO-XMMPIXPASA-N 0 0 434.496 1.927 50 0 IDAARN COc1ccc(CNC(=O)Cn2c3cccnc3n(Cc3ccccc3)c(=O)c2=O)cc1 ZINC000035450018 524055634 /nfs/dbraw/zinc/05/56/34/524055634.db2.gz PLNHGOIPHCFSIV-UHFFFAOYSA-N 0 0 430.464 1.932 50 0 IDAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCN1CCOCC1 ZINC000020568047 524059255 /nfs/dbraw/zinc/05/92/55/524059255.db2.gz JFTLRIOMIULPFR-UHFFFAOYSA-N 0 0 429.542 1.873 50 0 IDAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCCC(C)C)N(C)C3=O)cc1 ZINC000021875681 524065917 /nfs/dbraw/zinc/06/59/17/524065917.db2.gz SEMQLOHAUKLCGD-HSZRJFAPSA-N 0 0 441.532 1.828 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)s1 ZINC000023141711 524075306 /nfs/dbraw/zinc/07/53/06/524075306.db2.gz IQYKLHNUOGNNAQ-UHFFFAOYSA-N 0 0 441.966 1.757 50 0 IDAARN CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)s1 ZINC000023141743 524075397 /nfs/dbraw/zinc/07/53/97/524075397.db2.gz QNMAADKAVIFREH-UHFFFAOYSA-N 0 0 437.547 1.356 50 0 IDAARN CNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4cccc(F)c4)c(=O)c3s2)C1 ZINC000033141087 524082150 /nfs/dbraw/zinc/08/21/50/524082150.db2.gz YNZLKHHPHXXTRY-GFCCVEGCSA-N 0 0 444.492 1.593 50 0 IDAARN COc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C(=O)N2CCOCC2)c1 ZINC000036045979 524181913 /nfs/dbraw/zinc/18/19/13/524181913.db2.gz ZQPABCFGDNXNAO-RTWAWAEBSA-N 0 0 430.526 1.958 50 0 IDAARN C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012746381 524193892 /nfs/dbraw/zinc/19/38/92/524193892.db2.gz JUKDBWRKTNOOKE-JXFKEZNVSA-N 0 0 429.542 1.780 50 0 IDAARN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000012289089 524248636 /nfs/dbraw/zinc/24/86/36/524248636.db2.gz IJFOBQWRHHJLIO-UKRRQHHQSA-N 0 0 447.923 1.753 50 0 IDAARN COc1ccc(Cn2ccc3nc(C)c(C(=O)NCCN4CCOCC4)cc3c2=O)cc1 ZINC000020991708 524261642 /nfs/dbraw/zinc/26/16/42/524261642.db2.gz NQHHXDLAVAREDQ-UHFFFAOYSA-N 0 0 436.512 1.824 50 0 IDAARN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012599240 524264976 /nfs/dbraw/zinc/26/49/76/524264976.db2.gz MQAONDYLTZKIMR-YCRPNKLZSA-N 0 0 439.468 1.727 50 0 IDAARN Cc1cccc(CC(=O)NCCS(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1 ZINC000012422831 524342336 /nfs/dbraw/zinc/34/23/36/524342336.db2.gz KRHABSXPZJSOND-UHFFFAOYSA-N 0 0 429.586 1.844 50 0 IDAARN Cc1cc(C)c2c(n1)nc(SCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[nH]c2=O ZINC000012566319 524348382 /nfs/dbraw/zinc/34/83/82/524348382.db2.gz FMITVTMMDCCDGK-UHFFFAOYSA-N 0 0 447.542 1.916 50 0 IDAARN COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000011906104 524385192 /nfs/dbraw/zinc/38/51/92/524385192.db2.gz KBMXBISGMOVCBZ-UHFFFAOYSA-N 0 0 444.918 1.894 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCC2)c(OC)c1 ZINC000021869711 524389882 /nfs/dbraw/zinc/38/98/82/524389882.db2.gz FVWMXIJOUXBYSH-FQEVSTJZSA-N 0 0 439.534 1.130 50 0 IDAARN COc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000021528927 524390347 /nfs/dbraw/zinc/39/03/47/524390347.db2.gz FANLIFYWOWLNLH-NRFANRHFSA-N 0 0 449.504 1.518 50 0 IDAARN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N(C)CCc1ccncc1 ZINC000011907636 524403672 /nfs/dbraw/zinc/40/36/72/524403672.db2.gz NSLHXDUXGXNYGG-UHFFFAOYSA-N 0 0 439.559 1.883 50 0 IDAARN Cc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccc(C)cc2)o1 ZINC000020532580 524428889 /nfs/dbraw/zinc/42/88/89/524428889.db2.gz YTBSNHSROFXIKO-NRFANRHFSA-N 0 0 433.530 1.575 50 0 IDAARN C[C@H]1CCc2c(sc(NC(=O)CN3CCN(C(=O)[C@@H]4CCCO4)CC3)c2C(N)=O)C1 ZINC000017099128 524434620 /nfs/dbraw/zinc/43/46/20/524434620.db2.gz WZQXNUSHHAGRFD-ZFWWWQNUSA-N 0 0 434.562 1.234 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)CC2=O)cc1 ZINC000020724487 524445161 /nfs/dbraw/zinc/44/51/61/524445161.db2.gz YRDDYUNWICCVEL-OAHLLOKOSA-N 0 0 449.554 1.643 50 0 IDAARN COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)N[C@]21C(=O)Nc2c1cccc2C ZINC000020610505 524445192 /nfs/dbraw/zinc/44/51/92/524445192.db2.gz PPCAFGJIMNCBIO-XYQTXAPISA-N 0 0 435.480 1.305 50 0 biogenic IDAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(OC)c1 ZINC000023107276 524459007 /nfs/dbraw/zinc/45/90/07/524459007.db2.gz KACVLGAUJPKJNA-IBGZPJMESA-N 0 0 431.464 1.971 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 ZINC000012080715 524459345 /nfs/dbraw/zinc/45/93/45/524459345.db2.gz MMHQXEWFSJQEJJ-GOSISDBHSA-N 0 0 431.876 1.580 50 0 IDAARN C[C@H]1CN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)CCN1C ZINC000020599211 524484516 /nfs/dbraw/zinc/48/45/16/524484516.db2.gz KRVIOXVTIXKQKF-UQBPGWFLSA-N 0 0 434.540 1.874 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1 ZINC000020761957 524490366 /nfs/dbraw/zinc/49/03/66/524490366.db2.gz XVEMJTLVQFNWNL-UHFFFAOYSA-N 0 0 439.877 1.939 50 0 IDAARN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(OC)c1 ZINC000015822224 524491099 /nfs/dbraw/zinc/49/10/99/524491099.db2.gz XCISYTPSNAYQGM-UHFFFAOYSA-N 0 0 449.485 1.602 50 0 IDAARN COc1ccc(NC(=O)CNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000012776512 524497044 /nfs/dbraw/zinc/49/70/44/524497044.db2.gz YZQQLTKAYSDCTD-SEFVSHJNSA-N 0 0 436.461 1.146 50 0 IDAARN Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)cc1 ZINC000035452588 524501661 /nfs/dbraw/zinc/50/16/61/524501661.db2.gz MYCRUMWCGIGNSR-OAHLLOKOSA-N 0 0 431.514 1.960 50 0 IDAARN COc1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)S(=O)(=O)N=CN3)c(OC)c1 ZINC000015780157 524504184 /nfs/dbraw/zinc/50/41/84/524504184.db2.gz YFUZAUMTIGHFQW-UHFFFAOYSA-N 0 0 439.471 1.259 50 0 IDAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CN2CCN(C(C)=O)CC2)cc1 ZINC000022698526 524530672 /nfs/dbraw/zinc/53/06/72/524530672.db2.gz MDXISOVCXQNUDC-UHFFFAOYSA-N 0 0 428.489 1.168 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1 ZINC000035425605 524534684 /nfs/dbraw/zinc/53/46/84/524534684.db2.gz AXJYVJXPXVVUMM-UHFFFAOYSA-N 0 0 434.456 1.528 50 0 IDAARN Cc1cccc(N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccc(F)cc4)c3=O)CC2)c1 ZINC000033331067 524548273 /nfs/dbraw/zinc/54/82/73/524548273.db2.gz PVDJPPUVMPPMRB-UHFFFAOYSA-N 0 0 436.487 1.855 50 0 IDAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCC4(CC3)OCCO4)C2)cc1 ZINC000020511242 524550491 /nfs/dbraw/zinc/55/04/91/524550491.db2.gz HICGQVUDEZIPNQ-IBGZPJMESA-N 0 0 437.562 1.407 50 0 IDAARN Cc1ccc(CNC(=O)[C@]2(C)CN(S(C)(=O)=O)CC(=O)N2c2ccc(F)cc2)cc1 ZINC000021529079 524554134 /nfs/dbraw/zinc/55/41/34/524554134.db2.gz HTEKHURYGUWBCJ-NRFANRHFSA-N 0 0 433.505 1.817 50 0 IDAARN Cc1cc(C)n2c(nnc2SCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000022200862 524564146 /nfs/dbraw/zinc/56/41/46/524564146.db2.gz ISCHHAKUHHWFKE-GOSISDBHSA-N 0 0 426.546 1.850 50 0 IDAARN COc1ccccc1N1CCN(c2nc(CNC(=O)CNC(C)=O)nc3ccccc32)CC1 ZINC000012161982 524564379 /nfs/dbraw/zinc/56/43/79/524564379.db2.gz GBNKNKHWJLSNSK-UHFFFAOYSA-N 0 0 448.527 1.717 50 0 IDAARN COc1ccccc1N1CCN(c2ccc(=O)n(CC(=O)NCCc3ccco3)n2)CC1 ZINC000035375507 524564687 /nfs/dbraw/zinc/56/46/87/524564687.db2.gz BEAPPXJKYQNUSX-UHFFFAOYSA-N 0 0 437.500 1.530 50 0 IDAARN COc1ccccc1N1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2)CC1=O ZINC000020729252 524581993 /nfs/dbraw/zinc/58/19/93/524581993.db2.gz SAGSLYOMPUKXDS-CQSZACIVSA-N 0 0 435.477 1.282 50 0 IDAARN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2C)cc1 ZINC000012557036 524685590 /nfs/dbraw/zinc/68/55/90/524685590.db2.gz ORVULNYUMGQHKD-INIZCTEOSA-N 0 0 438.527 1.721 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000012520888 524688002 /nfs/dbraw/zinc/68/80/02/524688002.db2.gz DNEAAOFNUMGCLG-OAHLLOKOSA-N 0 0 448.497 1.900 50 0 IDAARN CC(=O)N1CCOc2ccc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc21 ZINC000009405478 534802265 /nfs/dbraw/zinc/80/22/65/534802265.db2.gz ROOLGNNUCBLMHD-CVEARBPZSA-N 0 0 429.498 1.402 50 0 IDAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1 ZINC000012521211 524696428 /nfs/dbraw/zinc/69/64/28/524696428.db2.gz PYKISOWQRPCVJN-UHFFFAOYSA-N 0 0 433.530 1.948 50 0 IDAARN C[C@@H]1CN(C(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 ZINC000012779012 524876633 /nfs/dbraw/zinc/87/66/33/524876633.db2.gz SXFKDXCDPNNWBN-GASCZTMLSA-N 0 0 428.489 1.739 50 0 IDAARN COc1ccc(OC)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCC3)c2C)c1 ZINC000015786580 524880911 /nfs/dbraw/zinc/88/09/11/524880911.db2.gz CHYPQASDPIFDLD-UHFFFAOYSA-N 0 0 429.520 1.539 50 0 IDAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NCc2ccccc2)c(C)c1 ZINC000015680249 524920182 /nfs/dbraw/zinc/92/01/82/524920182.db2.gz SZJRYHJEAQZBKX-JOCHJYFZSA-N 0 0 429.542 1.987 50 0 IDAARN Cc1cccc2c(=O)n(CCC(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cnc12 ZINC000012858194 524924218 /nfs/dbraw/zinc/92/42/18/524924218.db2.gz LVMNONHLIXBAKA-UHFFFAOYSA-N 0 0 448.479 1.808 50 0 IDAARN COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCN(C)C(=O)[C@@H]2C)c1 ZINC000012075490 524925353 /nfs/dbraw/zinc/92/53/53/524925353.db2.gz WKHJIHLPAZIJEY-HNNXBMFYSA-N 0 0 429.517 1.778 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000012614850 524999856 /nfs/dbraw/zinc/99/98/56/524999856.db2.gz AVMZOMBVWHEDAG-UHFFFAOYSA-N 0 0 442.497 1.803 50 0 IDAARN C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000020533337 525030006 /nfs/dbraw/zinc/03/00/06/525030006.db2.gz RILZXQYWXZEAHV-ZIAGYGMSSA-N 0 0 431.924 1.745 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CN(C)CC3)cc1 ZINC000020914141 525030785 /nfs/dbraw/zinc/03/07/85/525030785.db2.gz GUYGTQSHMZYRSH-MRXNPFEDSA-N 0 0 436.559 1.931 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000012679229 525035136 /nfs/dbraw/zinc/03/51/36/525035136.db2.gz APOZKXJEFYNJSM-UHFFFAOYSA-N 0 0 449.529 1.929 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCCc3cccs3)CC2)cc1 ZINC000035306206 525038623 /nfs/dbraw/zinc/03/86/23/525038623.db2.gz ILVABWJOEBDAEE-INIZCTEOSA-N 0 0 437.587 1.810 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000016961459 525040513 /nfs/dbraw/zinc/04/05/13/525040513.db2.gz OSNCGVOPNZWXQY-MRXNPFEDSA-N 0 0 432.498 1.906 50 0 IDAARN Cc1ccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc32)nc1 ZINC000020923113 525048302 /nfs/dbraw/zinc/04/83/02/525048302.db2.gz CFMDSUVLMOXTER-UHFFFAOYSA-N 0 0 444.513 1.929 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccno4)o3)cc2)C[C@@H](C)O1 ZINC000022710800 525049331 /nfs/dbraw/zinc/04/93/31/525049331.db2.gz NBIVDPRODICLDD-VXGBXAGGSA-N 0 0 433.446 1.775 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-n4cnnn4)c3)cc2)C[C@H](C)O1 ZINC000012598680 525050138 /nfs/dbraw/zinc/05/01/38/525050138.db2.gz VLPJZIWBRHIARX-GASCZTMLSA-N 0 0 442.501 1.713 50 0 IDAARN C[C@H]1Oc2ccc(S(=O)(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc2NC1=O ZINC000012384889 525064496 /nfs/dbraw/zinc/06/44/96/525064496.db2.gz RANACVLFOHWPDB-CYBMUJFWSA-N 0 0 431.470 1.679 50 0 IDAARN Cc1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 ZINC000009666032 525065901 /nfs/dbraw/zinc/06/59/01/525065901.db2.gz JCUDMRBFMZKMIF-UHFFFAOYSA-N 0 0 436.461 1.951 50 0 IDAARN COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000021011190 525090778 /nfs/dbraw/zinc/09/07/78/525090778.db2.gz GNVOUTFZKSYJHK-UHFFFAOYSA-N 0 0 448.486 1.992 50 0 IDAARN Cc1cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1Br ZINC000012782738 525116192 /nfs/dbraw/zinc/11/61/92/525116192.db2.gz IKLNQPKTUMVCAO-GFCCVEGCSA-N 0 0 428.308 1.862 50 0 IDAARN Cc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1Br ZINC000012782742 525116572 /nfs/dbraw/zinc/11/65/72/525116572.db2.gz IKLNQPKTUMVCAO-LBPRGKRZSA-N 0 0 428.308 1.862 50 0 IDAARN C[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccc2c(c1)OCO2 ZINC000032946801 525125272 /nfs/dbraw/zinc/12/52/72/525125272.db2.gz WYCDVVPPBXXMPD-LLVKDONJSA-N 0 0 448.526 1.919 50 0 IDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1 ZINC000022323993 525159194 /nfs/dbraw/zinc/15/91/94/525159194.db2.gz OHJVBILENIYVPX-UHFFFAOYSA-N 0 0 439.563 1.114 50 0 IDAARN CS(=O)(=O)NCCOc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1 ZINC000012371834 525198680 /nfs/dbraw/zinc/19/86/80/525198680.db2.gz QMZVUFPFQGWXSA-UHFFFAOYSA-N 0 0 448.950 1.625 50 0 IDAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000012813768 525238645 /nfs/dbraw/zinc/23/86/45/525238645.db2.gz IZYFOVAMXARCNT-RWMBFGLXSA-N 0 0 430.910 1.036 50 0 IDAARN C[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 ZINC000015863962 525246565 /nfs/dbraw/zinc/24/65/65/525246565.db2.gz SCRLGJLLZWFLPW-ZDUSSCGKSA-N 0 0 432.458 1.842 50 0 IDAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000020511089 525267687 /nfs/dbraw/zinc/26/76/87/525267687.db2.gz UNCBBGUXLQUIQA-YKOJYSHRSA-N 0 0 439.622 1.997 50 0 IDAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c2)cc1 ZINC000012557235 525304323 /nfs/dbraw/zinc/30/43/23/525304323.db2.gz GXQBZTGGOREMRF-UHFFFAOYSA-N 0 0 444.557 1.642 50 0 IDAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O ZINC000012691730 525319430 /nfs/dbraw/zinc/31/94/30/525319430.db2.gz FKFGSXSMMMGELU-HXUWFJFHSA-N 0 0 430.461 1.881 50 0 IDAARN C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000040062164 525320605 /nfs/dbraw/zinc/32/06/05/525320605.db2.gz HYIBAHMJFAFRAA-LLVKDONJSA-N 0 0 432.340 1.108 50 0 IDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021533789 525401129 /nfs/dbraw/zinc/40/11/29/525401129.db2.gz NEFKKKKIQYPPJX-UHFFFAOYSA-N 0 0 425.411 1.457 50 0 IDAARN Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000035597137 525404040 /nfs/dbraw/zinc/40/40/40/525404040.db2.gz AEVUDSOSQDTXDW-UHFFFAOYSA-N 0 0 435.893 1.934 50 0 IDAARN Cc1nc(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[nH]c1Cc1ccccc1 ZINC000012547983 525412514 /nfs/dbraw/zinc/41/25/14/525412514.db2.gz YBCROAXOZFGKHZ-GOSISDBHSA-N 0 0 448.614 1.732 50 0 IDAARN Cc1ccc(OC[C@H](O)Cn2c3c(nc2N2CCCCC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000012232332 525438201 /nfs/dbraw/zinc/43/82/01/525438201.db2.gz IRQIVEAYQBQELI-MRXNPFEDSA-N 0 0 427.505 1.172 50 0 IDAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)NC[C@@H]4CCCO4)CC3)c2c1 ZINC000020733772 525494036 /nfs/dbraw/zinc/49/40/36/525494036.db2.gz FKEBPWFUVXXEFG-HRAATJIYSA-N 0 0 430.505 1.215 50 0 IDAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)NCc3cccnc3)ccc2N1C(=O)C1CC1 ZINC000020529641 525521621 /nfs/dbraw/zinc/52/16/21/525521621.db2.gz AWIDFSHKATUIPV-OAHLLOKOSA-N 0 0 442.541 1.754 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c4ccccc4n(C)c3=O)CC2)cc1 ZINC000012915884 525538878 /nfs/dbraw/zinc/53/88/78/525538878.db2.gz AQFXPIZEXMTLMH-UHFFFAOYSA-N 0 0 428.514 1.182 50 0 IDAARN CSCC[C@H](C(=O)Nc1ccc(-n2cnnn2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000021675868 525557314 /nfs/dbraw/zinc/55/73/14/525557314.db2.gz ZNIHYABQGJYKQQ-YESZJQIVSA-N 0 0 428.518 1.898 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)OCC(=O)N2 ZINC000021108433 525616675 /nfs/dbraw/zinc/61/66/75/525616675.db2.gz RLNBMNXNGITBRK-UHFFFAOYSA-N 0 0 445.497 1.561 50 0 IDAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 ZINC000017043063 525627353 /nfs/dbraw/zinc/62/73/53/525627353.db2.gz VZAXWMXXCNKUEC-QAPCUYQASA-N 0 0 436.555 1.983 50 0 IDAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000012679512 525638762 /nfs/dbraw/zinc/63/87/62/525638762.db2.gz QPQFHPGLAHBEGQ-UHFFFAOYSA-N 0 0 439.511 1.834 50 0 IDAARN COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)sc2c1 ZINC000012852607 525674875 /nfs/dbraw/zinc/67/48/75/525674875.db2.gz 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C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000022357420 525886147 /nfs/dbraw/zinc/88/61/47/525886147.db2.gz PCSYJHPJXBMLFY-RISCZKNCSA-N 0 0 441.893 1.376 50 0 IDAARN C[C@@]1(c2ccco2)NC(=O)N(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1=O ZINC000022912999 525905664 /nfs/dbraw/zinc/90/56/64/525905664.db2.gz DNONKBSDTYJNLU-NRFANRHFSA-N 0 0 445.907 1.914 50 0 IDAARN Cc1c2c(nn1-c1ccccc1)c(=O)n([C@H](C)C(=O)NCCCN1CCCC1=O)nc2C ZINC000020563240 525936376 /nfs/dbraw/zinc/93/63/76/525936376.db2.gz PHLGWIXTLYXGHY-QGZVFWFLSA-N 0 0 436.516 1.889 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CCN2CCOCC2)c(=O)n3C)n1-c1cc(C)ccc1C ZINC000022385760 525943903 /nfs/dbraw/zinc/94/39/03/525943903.db2.gz NUBXFFPGLMBHEC-UHFFFAOYSA-N 0 0 436.516 1.396 50 0 IDAARN COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2nc(C)c(C)s2)c1OC ZINC000012595635 525948804 /nfs/dbraw/zinc/94/88/04/525948804.db2.gz VJRRSKAHKCOUIL-QGZVFWFLSA-N 0 0 446.573 1.827 50 0 IDAARN COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000021532188 525969691 /nfs/dbraw/zinc/96/96/91/525969691.db2.gz RLQQNYCEARKFQO-UHFFFAOYSA-N 0 0 431.514 1.907 50 0 IDAARN C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NC(=O)NC(C)(C)C ZINC000022419215 526001399 /nfs/dbraw/zinc/00/13/99/526001399.db2.gz MPADCVBTCPFZKY-VIFPVBQESA-N 0 0 446.533 1.797 50 0 IDAARN COc1cccc(CNC(=O)c2ccc(CN3CC(=O)N4CSC[C@H]4C3=O)cc2)c1 ZINC000021530078 526005195 /nfs/dbraw/zinc/00/51/95/526005195.db2.gz JXZWQCKFXKFZKG-IBGZPJMESA-N 0 0 425.510 1.869 50 0 IDAARN C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)n1nc(-c2ccc(F)cc2)ccc1=O ZINC000042380975 526056241 /nfs/dbraw/zinc/05/62/41/526056241.db2.gz NNXXMBMCHYGEEI-CQSZACIVSA-N 0 0 444.488 1.617 50 0 IDAARN C[C@H](C(=O)NCCc1cccs1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012746387 526058219 /nfs/dbraw/zinc/05/82/19/526058219.db2.gz JUKDBWRKTNOOKE-OXQOHEQNSA-N 0 0 429.542 1.780 50 0 IDAARN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021847781 526083518 /nfs/dbraw/zinc/08/35/18/526083518.db2.gz CEZJRHFKNYYQQM-MRXNPFEDSA-N 0 0 425.485 1.967 50 0 IDAARN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c1 ZINC000012766503 526109893 /nfs/dbraw/zinc/10/98/93/526109893.db2.gz NANKIULVFZBFIJ-UHFFFAOYSA-N 0 0 436.559 1.885 50 0 IDAARN COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 ZINC000020614123 526167018 /nfs/dbraw/zinc/16/70/18/526167018.db2.gz SRMFEMMKWMZMRU-GOSISDBHSA-N 0 0 427.457 1.552 50 0 IDAARN COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 ZINC000020614125 526167643 /nfs/dbraw/zinc/16/76/43/526167643.db2.gz SRMFEMMKWMZMRU-SFHVURJKSA-N 0 0 427.457 1.552 50 0 IDAARN COc1cccc(NC(=O)Cn2c3cn(C)nc3c(=O)n(Cc3ccc(F)cc3)c2=O)c1 ZINC000021713841 526184286 /nfs/dbraw/zinc/18/42/86/526184286.db2.gz XFWDJHQEAYLXPY-UHFFFAOYSA-N 0 0 437.431 1.731 50 0 IDAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000012567837 526217119 /nfs/dbraw/zinc/21/71/19/526217119.db2.gz YGYRXVFNZUVUDK-GFCCVEGCSA-N 0 0 426.454 1.803 50 0 IDAARN C[C@@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)nn2C ZINC000035597805 526217608 /nfs/dbraw/zinc/21/76/08/526217608.db2.gz NSMZOEJODXQQAY-GFCCVEGCSA-N 0 0 433.490 1.139 50 0 IDAARN CSc1ncc(Cl)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 ZINC000023133847 526221100 /nfs/dbraw/zinc/22/11/00/526221100.db2.gz BESSFPLFCLOSNF-UHFFFAOYSA-N 0 0 448.979 1.864 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000035374681 526221392 /nfs/dbraw/zinc/22/13/92/526221392.db2.gz OJBPQRSSQGMMPR-VBXZMTOYSA-N 0 0 437.471 1.744 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000035374677 526221907 /nfs/dbraw/zinc/22/19/07/526221907.db2.gz OJBPQRSSQGMMPR-RMIXQUSFSA-N 0 0 437.471 1.744 50 0 IDAARN Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1S(N)(=O)=O ZINC000012679777 526236395 /nfs/dbraw/zinc/23/63/95/526236395.db2.gz UCSJONWUUYHHOF-ZDUSSCGKSA-N 0 0 434.470 1.448 50 0 IDAARN Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(CC(=O)N(C)c3ccccc3)c(=O)n(C)c2n1 ZINC000035477307 526243153 /nfs/dbraw/zinc/24/31/53/526243153.db2.gz GPTXHUOBUMPZHV-UHFFFAOYSA-N 0 0 449.511 1.693 50 0 IDAARN C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000012911346 526255778 /nfs/dbraw/zinc/25/57/78/526255778.db2.gz NCOBCQVAZGCONL-YJBOKZPZSA-N 0 0 449.529 1.577 50 0 IDAARN C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000012911356 526261159 /nfs/dbraw/zinc/26/11/59/526261159.db2.gz NCOBCQVAZGCONL-MAUKXSAKSA-N 0 0 449.529 1.577 50 0 IDAARN O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012556630 526288602 /nfs/dbraw/zinc/28/86/02/526288602.db2.gz VTTBXAMQMKZHBO-UHFFFAOYSA-N 0 0 448.545 1.652 50 0 IDAARN Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000014252553 526289021 /nfs/dbraw/zinc/28/90/21/526289021.db2.gz ORFUGQAPMRVFIY-FQEVSTJZSA-N 0 0 430.574 1.802 50 0 IDAARN O=C(NCCCn1ncc2ccccc21)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000020535434 526293884 /nfs/dbraw/zinc/29/38/84/526293884.db2.gz VFRAJROGXARWEU-HXUWFJFHSA-N 0 0 427.549 1.504 50 0 IDAARN Cc1nn(S(=O)(=O)c2ccc3c(c2)CCCC3)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000020604593 526300345 /nfs/dbraw/zinc/30/03/45/526300345.db2.gz PVXFRFPFGHJBHF-UHFFFAOYSA-N 0 0 439.559 1.637 50 0 IDAARN Cc1csc(=O)n1CCC(=O)O[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000022384985 526308906 /nfs/dbraw/zinc/30/89/06/526308906.db2.gz SBJYMNDRCFSUEU-SNVBAGLBSA-N 0 0 445.419 1.712 50 0 IDAARN O=C(NCCN1CCOCC1)c1csc(CN2CCN(c3ccc(F)cc3)CC2)n1 ZINC000034669087 526320403 /nfs/dbraw/zinc/32/04/03/526320403.db2.gz BRRRTGGTUVGFLF-UHFFFAOYSA-N 0 0 433.553 1.666 50 0 IDAARN O=C(NCCNC(=O)c1ccccc1F)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000012376817 526332703 /nfs/dbraw/zinc/33/27/03/526332703.db2.gz JKZKRVIHVVBJHD-UHFFFAOYSA-N 0 0 432.433 1.342 50 0 IDAARN O=C(NCCNS(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000020723563 526338159 /nfs/dbraw/zinc/33/81/59/526338159.db2.gz XFHXCSYVZOQIDJ-GFCCVEGCSA-N 0 0 427.935 1.849 50 0 IDAARN O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1Cl ZINC000012444940 526367409 /nfs/dbraw/zinc/36/74/09/526367409.db2.gz OUEMSWHHBWPUSH-UHFFFAOYSA-N 0 0 444.344 1.665 50 0 IDAARN Cc1csc(NC(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000017144042 526385293 /nfs/dbraw/zinc/38/52/93/526385293.db2.gz YSQKWWMIBWZUIO-UHFFFAOYSA-N 0 0 444.498 1.783 50 0 IDAARN O=C(CCC1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)NCc1ccc(F)cc1 ZINC000012314052 526408194 /nfs/dbraw/zinc/40/81/94/526408194.db2.gz VTCXNVXCBWJGTH-GOSISDBHSA-N 0 0 425.526 1.831 50 0 IDAARN O=C([C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccccc1)N1CCOCC1 ZINC000021625195 526452561 /nfs/dbraw/zinc/45/25/61/526452561.db2.gz HEYUUZOBMUAFRC-YOEHRIQHSA-N 0 0 437.543 1.739 50 0 IDAARN O=C(NCCn1ncc2c1ncnc2N1CCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000035590484 526477605 /nfs/dbraw/zinc/47/76/05/526477605.db2.gz UBQFZCWHJGNJFV-KRWDZBQOSA-N 0 0 433.516 1.986 50 0 IDAARN O=C(NCCn1ncc2c1ncnc2N1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000035590481 526478051 /nfs/dbraw/zinc/47/80/51/526478051.db2.gz UBQFZCWHJGNJFV-QGZVFWFLSA-N 0 0 433.516 1.986 50 0 IDAARN O=C(CCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)Nc1cccc(F)c1 ZINC000012887563 526488211 /nfs/dbraw/zinc/48/82/11/526488211.db2.gz SJRUQZBPQSKHEB-UHFFFAOYSA-N 0 0 446.504 1.655 50 0 IDAARN O=C(CCNC(=O)c1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000015560025 526508053 /nfs/dbraw/zinc/50/80/53/526508053.db2.gz WHKKQLOAOJTMDJ-UHFFFAOYSA-N 0 0 431.923 1.648 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NCc1ccccc1 ZINC000021112298 526512492 /nfs/dbraw/zinc/51/24/92/526512492.db2.gz ODMGHCGTUKOSQD-UHFFFAOYSA-N 0 0 427.526 1.971 50 0 IDAARN O=C([C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccccc1)N1CCOCC1 ZINC000021625203 526523396 /nfs/dbraw/zinc/52/33/96/526523396.db2.gz HEYUUZOBMUAFRC-WMLDXEAASA-N 0 0 437.543 1.739 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 ZINC000035344114 526551057 /nfs/dbraw/zinc/55/10/57/526551057.db2.gz GBCGDLPEDOWHPQ-UHFFFAOYSA-N 0 0 449.533 1.045 50 0 IDAARN O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000012391490 526558473 /nfs/dbraw/zinc/55/84/73/526558473.db2.gz ZQYKZZFBZDMGKU-MRXNPFEDSA-N 0 0 446.510 1.364 50 0 IDAARN Cc1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)nc2)no1 ZINC000042380597 526576123 /nfs/dbraw/zinc/57/61/23/526576123.db2.gz BLBNBDRRIZVNMW-UHFFFAOYSA-N 0 0 443.485 1.722 50 0 IDAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 ZINC000012629205 526579831 /nfs/dbraw/zinc/57/98/31/526579831.db2.gz BAHQOTBVBUWOIA-UHFFFAOYSA-N 0 0 436.497 1.455 50 0 IDAARN O=C(NC[C@H]1CCCO1)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000035451740 526597811 /nfs/dbraw/zinc/59/78/11/526597811.db2.gz HQRTUCNFZGZPPF-LJQANCHMSA-N 0 0 432.496 1.350 50 0 IDAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NC[C@H]4CCCO4)CC3)c2)no1 ZINC000035557925 526623124 /nfs/dbraw/zinc/62/31/24/526623124.db2.gz YSMYQAOTVNXMND-OAHLLOKOSA-N 0 0 440.547 1.802 50 0 IDAARN Cc1noc(Cn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3)c2=O)OCO4)n1 ZINC000020936785 526636715 /nfs/dbraw/zinc/63/67/15/526636715.db2.gz GPVYKXTZTUMUKX-UHFFFAOYSA-N 0 0 435.396 1.270 50 0 IDAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NN1C(=O)NC2(CCCCC2)C1=O ZINC000012795818 526655659 /nfs/dbraw/zinc/65/56/59/526655659.db2.gz XBUDMEOADILHBD-UHFFFAOYSA-N 0 0 429.502 1.692 50 0 IDAARN O=C(CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000035424006 526681962 /nfs/dbraw/zinc/68/19/62/526681962.db2.gz XJVLCMZMATYYGC-UHFFFAOYSA-N 0 0 437.431 1.985 50 0 IDAARN O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000012225241 526683616 /nfs/dbraw/zinc/68/36/16/526683616.db2.gz KMDYHIUUISKUEH-UHFFFAOYSA-N 0 0 435.484 1.484 50 0 IDAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21)N1CCN(c2ccccc2)CC1 ZINC000035376771 526708539 /nfs/dbraw/zinc/70/85/39/526708539.db2.gz JLJARLVAERWISR-UHFFFAOYSA-N 0 0 448.523 1.997 50 0 IDAARN O=C(CN1C(=O)COc2ccccc21)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015969649 526709991 /nfs/dbraw/zinc/70/99/91/526709991.db2.gz NGKMMVINTSEKDY-UHFFFAOYSA-N 0 0 446.481 1.176 50 0 IDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012567359 526712924 /nfs/dbraw/zinc/71/29/24/526712924.db2.gz BZBCMWZOJCVERU-UHFFFAOYSA-N 0 0 427.530 1.805 50 0 IDAARN Cc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NCCN1CCOCC1 ZINC000020355511 526734181 /nfs/dbraw/zinc/73/41/81/526734181.db2.gz JLBWNBHTFZZVIF-UHFFFAOYSA-N 0 0 441.937 1.667 50 0 IDAARN O=C(CN1CCN(C(=O)CSc2nc3ncccn3n2)CC1)Nc1ccc(F)cc1 ZINC000036023325 526762887 /nfs/dbraw/zinc/76/28/87/526762887.db2.gz ZUWFMVYUSDVLMG-UHFFFAOYSA-N 0 0 429.481 1.138 50 0 IDAARN O=C(CN1CCN(C(=O)Nc2ccc(Br)cc2)CC1=O)NCc1cccnc1 ZINC000035537276 526762959 /nfs/dbraw/zinc/76/29/59/526762959.db2.gz UHVOFZNJEHPJCM-UHFFFAOYSA-N 0 0 446.305 1.837 50 0 IDAARN O=C(CN1CCN(C(=O)CSc2nncn2-c2ccccc2F)CC1)N1CCCC1 ZINC000012554734 526763077 /nfs/dbraw/zinc/76/30/77/526763077.db2.gz FHZMZQIGIGNKTC-UHFFFAOYSA-N 0 0 432.525 1.265 50 0 IDAARN O=C(CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)N1CCCC1 ZINC000012594353 526764491 /nfs/dbraw/zinc/76/44/91/526764491.db2.gz MBIWFYIDTDXNSO-LJQANCHMSA-N 0 0 446.979 1.959 50 0 IDAARN O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000022792832 526767526 /nfs/dbraw/zinc/76/75/26/526767526.db2.gz MWYWOKDYYQFMIV-JXMROGBWSA-N 0 0 425.533 1.603 50 0 IDAARN O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000023817765 526776863 /nfs/dbraw/zinc/77/68/63/526776863.db2.gz YXYUZSIJGSAAMR-LJQANCHMSA-N 0 0 433.530 1.695 50 0 IDAARN O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(Cc2ccncc2)CC1 ZINC000023820088 526776939 /nfs/dbraw/zinc/77/69/39/526776939.db2.gz JXLRJKJIUAWSNG-FQEVSTJZSA-N 0 0 444.557 1.497 50 0 IDAARN O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)NCc1ccccc1 ZINC000021891099 526778168 /nfs/dbraw/zinc/77/81/68/526778168.db2.gz WFEIMKXTDIARNM-UHFFFAOYSA-N 0 0 427.448 1.727 50 0 IDAARN O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000022801062 526781134 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/nfs/dbraw/zinc/63/49/32/535634932.db2.gz VHFVWHZHYVBOBU-UHFFFAOYSA-N 0 0 433.486 1.787 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)c(Cl)c2)n(C)c1=O ZINC000010102292 535762709 /nfs/dbraw/zinc/76/27/09/535762709.db2.gz CLVCQBCOMCYNQR-UHFFFAOYSA-N 0 0 447.879 1.664 50 0 IDAARN CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 ZINC000008861009 536367479 /nfs/dbraw/zinc/36/74/79/536367479.db2.gz ILYDJJZLOIPRKB-YOEHRIQHSA-N 0 0 449.554 1.689 50 0 IDAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(I)c(O)c(OC)c1 ZINC000000683707 555539044 /nfs/dbraw/zinc/53/90/44/555539044.db2.gz CGUUSQFBHXCWTM-LLVKDONJSA-N 0 0 434.255 1.971 50 0 IDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000000802778 555559410 /nfs/dbraw/zinc/55/94/10/555559410.db2.gz UELLXXQVAMNZJM-UHFFFAOYSA-N 0 0 439.449 1.993 50 0 IDAARN COc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000812359 555560838 /nfs/dbraw/zinc/56/08/38/555560838.db2.gz GZGIIRRMLBTMRR-UHFFFAOYSA-N 0 0 449.504 1.754 50 0 IDAARN CS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000000814396 555561446 /nfs/dbraw/zinc/56/14/46/555561446.db2.gz OSMAHQXNBUFMMA-INIZCTEOSA-N 0 0 437.499 1.898 50 0 IDAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000818891 555563470 /nfs/dbraw/zinc/56/34/70/555563470.db2.gz AVGUNWSKIOUDAF-UHFFFAOYSA-N 0 0 442.497 1.446 50 0 IDAARN CCCCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000009585139 555591503 /nfs/dbraw/zinc/59/15/03/555591503.db2.gz UZEFBNYGNGWMQU-VGSWGCGISA-N 0 0 447.557 1.586 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000009590523 555592304 /nfs/dbraw/zinc/59/23/04/555592304.db2.gz ZLHVQQHFOXETTO-OAQYLSRUSA-N 0 0 437.521 1.992 50 0 IDAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@]12c1ccccc1N(CC(=O)OC)C2=O ZINC000000989144 555595412 /nfs/dbraw/zinc/59/54/12/555595412.db2.gz PEGFJDKLWROZEH-QFIPXVFZSA-N 0 0 444.440 1.045 50 0 biogenic IDAARN COC(=O)c1sccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(F)cc1F ZINC000001033588 555607036 /nfs/dbraw/zinc/60/70/36/555607036.db2.gz NPDQVUZEXJXIKH-AWEZNQCLSA-N 0 0 437.424 1.782 50 0 IDAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000001049258 555612459 /nfs/dbraw/zinc/61/24/59/555612459.db2.gz FFIDXVHIKINFFD-HNNXBMFYSA-N 0 0 443.481 1.379 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]12 ZINC000001102265 555629003 /nfs/dbraw/zinc/62/90/03/555629003.db2.gz PNMGKNIZLDIVSS-XQTRSNPVSA-N 0 0 427.409 1.545 50 0 IDAARN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000001122032 555638535 /nfs/dbraw/zinc/63/85/35/555638535.db2.gz IMHVNLCAFBYKLC-UHFFFAOYSA-N 0 0 431.942 1.377 50 0 IDAARN CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1ccc(I)cc1 ZINC000001137003 555647437 /nfs/dbraw/zinc/64/74/37/555647437.db2.gz QQKLEOODSOYEGN-ZDUSSCGKSA-N 0 0 438.287 1.352 50 0 IDAARN CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(I)cc1 ZINC000001140525 555649700 /nfs/dbraw/zinc/64/97/00/555649700.db2.gz XUIMANJLTUOTLX-UHFFFAOYSA-N 0 0 434.255 1.967 50 0 IDAARN NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 ZINC000001144842 555652696 /nfs/dbraw/zinc/65/26/96/555652696.db2.gz WZYFLHODTSODRF-UHFFFAOYSA-N 0 0 438.268 1.739 50 0 IDAARN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)CC1=O ZINC000071890998 555742314 /nfs/dbraw/zinc/74/23/14/555742314.db2.gz QVFYHMPVXRZPOJ-CJNGLKHVSA-N 0 0 438.484 1.338 50 0 IDAARN CC(C)(C)NC(=O)CSc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1 ZINC000002124172 555745668 /nfs/dbraw/zinc/74/56/68/555745668.db2.gz BSLFPFJSAWQEHD-UHFFFAOYSA-N 0 0 432.531 1.894 50 0 IDAARN COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Br ZINC000002180541 555753364 /nfs/dbraw/zinc/75/33/64/555753364.db2.gz WFVPYTAEXMIIEF-UHFFFAOYSA-N 0 0 436.310 1.693 50 0 biogenic IDAARN O=C(OCCNC1=NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000002482756 555783825 /nfs/dbraw/zinc/78/38/25/555783825.db2.gz UNEIADXOBNBOGV-CYBMUJFWSA-N 0 0 447.900 1.975 50 0 IDAARN CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(O)c(OC)c1 ZINC000002504038 555784878 /nfs/dbraw/zinc/78/48/78/555784878.db2.gz UPGQFRBVQZRMBV-YGRLFVJLSA-N 0 0 448.497 1.970 50 0 IDAARN CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(F)cc1 ZINC000002601406 555789816 /nfs/dbraw/zinc/78/98/16/555789816.db2.gz FLCWJAFJHOTHDW-QGZVFWFLSA-N 0 0 428.342 1.681 50 0 IDAARN CC(C)OC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677355 555795803 /nfs/dbraw/zinc/79/58/03/555795803.db2.gz QTVNLZOPARWKRB-IBGZPJMESA-N 0 0 434.512 1.647 50 0 IDAARN CCOC(=O)Cn1cnc2c1c(=O)n(C[C@H]1CCCO1)c(=O)n2-c1ccc(Cl)cc1 ZINC000034693743 555808325 /nfs/dbraw/zinc/80/83/25/555808325.db2.gz ZQMXNVJEZXNNLO-OAHLLOKOSA-N 0 0 432.864 1.744 50 0 IDAARN COc1ccc(S(=O)(=O)NCCCCNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002748688 555809767 /nfs/dbraw/zinc/80/97/67/555809767.db2.gz WWJHVQIYHQVZCX-UHFFFAOYSA-N 0 0 428.532 1.741 50 0 IDAARN CN(CC(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccc(Br)cc1 ZINC000002881288 555855257 /nfs/dbraw/zinc/85/52/57/555855257.db2.gz ALFQTWJTWKUPOE-UHFFFAOYSA-N 0 0 426.292 1.807 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 ZINC000002980979 555872187 /nfs/dbraw/zinc/87/21/87/555872187.db2.gz CZFNOFWPXALDGL-UHFFFAOYSA-N 0 0 448.339 1.516 50 0 IDAARN O=C(NCCCN1CCOCC1)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O ZINC000034811480 555909133 /nfs/dbraw/zinc/90/91/33/555909133.db2.gz FMBGXFCKUYJDIT-UHFFFAOYSA-N 0 0 431.924 1.645 50 0 IDAARN CCOC(=O)CNC(=O)N1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2 ZINC000034812091 555909414 /nfs/dbraw/zinc/90/94/14/555909414.db2.gz SYUQYYCXSWFWHA-UHFFFAOYSA-N 0 0 425.283 1.669 50 0 IDAARN CN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000034874295 555926018 /nfs/dbraw/zinc/92/60/18/555926018.db2.gz PGZZEYZTNKYTDB-QGZVFWFLSA-N 0 0 446.573 1.703 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c(C)c1 ZINC000004988258 556025827 /nfs/dbraw/zinc/02/58/27/556025827.db2.gz XXGHWSSEWFXFHQ-UHFFFAOYSA-N 0 0 429.608 1.895 50 0 IDAARN CCOC(=O)C(=O)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000022654914 556058771 /nfs/dbraw/zinc/05/87/71/556058771.db2.gz BHOFUOGLUAFULT-UHFFFAOYSA-N 0 0 425.489 1.192 50 0 IDAARN CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnn(-c2ccccc2)n1 ZINC000005734792 556064162 /nfs/dbraw/zinc/06/41/62/556064162.db2.gz FAVCUUQOZGVLMI-AQNXPRMDSA-N 0 0 433.417 1.298 50 0 IDAARN CCCCn1c(N)c(N(CCOC)CC(=O)Nc2ccc(F)cc2F)c(=O)[nH]c1=O ZINC000010565133 556071129 /nfs/dbraw/zinc/07/11/29/556071129.db2.gz VWVZDGNBRLYPMO-UHFFFAOYSA-N 0 0 425.436 1.289 50 0 IDAARN COCCCNC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000006904485 556109235 /nfs/dbraw/zinc/10/92/35/556109235.db2.gz VFGKMUHTONJRAC-UHFFFAOYSA-N 0 0 431.470 1.236 50 0 IDAARN CCOC(CCNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)OCC ZINC000002688598 556119394 /nfs/dbraw/zinc/11/93/94/556119394.db2.gz VKKRGZKIQYPYII-CVEARBPZSA-N 0 0 441.575 1.886 50 0 IDAARN CCOC(=O)N1CCN(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)CC1 ZINC000002720485 556126885 /nfs/dbraw/zinc/12/68/85/556126885.db2.gz XZVLUHLTACGHER-OAHLLOKOSA-N 0 0 434.474 1.975 50 0 IDAARN CCn1ncc(NC(=O)CCS(=O)(=O)c2ccccc2)c1C(=O)Nc1cnn(C)c1C ZINC000002731502 556134463 /nfs/dbraw/zinc/13/44/63/556134463.db2.gz BJQUWGLIYUOQHU-UHFFFAOYSA-N 0 0 444.517 2.000 50 0 IDAARN CCn1ncc(Cl)c1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000002732820 556134872 /nfs/dbraw/zinc/13/48/72/556134872.db2.gz XDMDNKXNHBDDAH-ZDUSSCGKSA-N 0 0 428.946 1.315 50 0 IDAARN CCn1cc(Cl)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 ZINC000002732715 556134902 /nfs/dbraw/zinc/13/49/02/556134902.db2.gz RACAAZSNYNZQCZ-CYBMUJFWSA-N 0 0 428.946 1.315 50 0 IDAARN Cn1ncc(I)c1C(=O)NCCCn1cc(Br)cn1 ZINC000002774901 556140475 /nfs/dbraw/zinc/14/04/75/556140475.db2.gz NTPOIUIIAOMLMX-UHFFFAOYSA-N 0 0 438.067 1.804 50 0 IDAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002803466 556142653 /nfs/dbraw/zinc/14/26/53/556142653.db2.gz DRKOBARFDRWRNX-UHFFFAOYSA-N 0 0 440.519 1.652 50 0 IDAARN CN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(N)=O)C1 ZINC000003006947 556156690 /nfs/dbraw/zinc/15/66/90/556156690.db2.gz MRJHEYUFJPRHES-UHFFFAOYSA-N 0 0 448.570 1.872 50 0 IDAARN O=C(NC[C@H]1OCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NC1CCCCC1 ZINC000003027864 556157996 /nfs/dbraw/zinc/15/79/96/556157996.db2.gz NKMPIHCTNSVICE-QGZVFWFLSA-N 0 0 427.498 1.128 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCC(C)C)c(C)c1 ZINC000003017108 556158548 /nfs/dbraw/zinc/15/85/48/556158548.db2.gz RLKQHMPZVDORCD-SFHVURJKSA-N 0 0 439.578 1.627 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCc2ccco2)c(C)c1 ZINC000003017177 556158596 /nfs/dbraw/zinc/15/85/96/556158596.db2.gz DNEKKFGTLOUOPM-SFHVURJKSA-N 0 0 449.529 1.375 50 0 IDAARN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NC2CCCC2)c(C)c1 ZINC000003017087 556158603 /nfs/dbraw/zinc/15/86/03/556158603.db2.gz WBIRPRBXJLSLBW-SFHVURJKSA-N 0 0 437.562 1.524 50 0 IDAARN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3cccc(OC)c3)c(=O)n12 ZINC000008426457 556168869 /nfs/dbraw/zinc/16/88/69/556168869.db2.gz ISQMATTYUBHJGP-ZBZZQJLTSA-N 0 0 436.489 1.868 50 0 IDAARN COc1cc(OC)c(N2C[C@H](C(=O)N3CCN(C(=O)C4CC4)CC3)CC2=O)cc1Cl ZINC000008745985 556209339 /nfs/dbraw/zinc/20/93/39/556209339.db2.gz NQHHZRXNAMARRK-CQSZACIVSA-N 0 0 435.908 1.791 50 0 IDAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008843449 556226480 /nfs/dbraw/zinc/22/64/80/556226480.db2.gz ZNAPBURAUTYNFM-DMVFFGLYSA-N 0 0 440.500 1.979 50 0 IDAARN CC[C@H](CO)Nc1nc2c(c(=O)n(Cc3ccc(Cl)cc3Cl)c(=O)n2C)n1C ZINC000008926175 556234100 /nfs/dbraw/zinc/23/41/00/556234100.db2.gz IYEQLNLQUHIZCN-GFCCVEGCSA-N 0 0 426.304 1.972 50 0 IDAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 ZINC000009095555 556246489 /nfs/dbraw/zinc/24/64/89/556246489.db2.gz CEQJLJJHNXNPKA-AWEZNQCLSA-N 0 0 447.513 1.994 50 0 IDAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)NC[C@@H]4CCCO4)CC3=O)cc2)CC1 ZINC000009095644 556246745 /nfs/dbraw/zinc/24/67/45/556246745.db2.gz ZHHGESMXUQVUEJ-HKUYNNGSSA-N 0 0 449.573 1.755 50 0 IDAARN Nc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000009194174 556254543 /nfs/dbraw/zinc/25/45/43/556254543.db2.gz FWCCSVBUAUGLMK-INIZCTEOSA-N 0 0 431.499 1.472 50 0 IDAARN CC(C)CCNC(=O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000013689044 556278714 /nfs/dbraw/zinc/27/87/14/556278714.db2.gz SOKXBLZBRSUWNA-UHFFFAOYSA-N 0 0 425.493 1.460 50 0 IDAARN Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)N(C)CCc1ccncc1 ZINC000013691602 556281206 /nfs/dbraw/zinc/28/12/06/556281206.db2.gz VGPTWVDBAIVLAP-OAHLLOKOSA-N 0 0 437.543 1.566 50 0 IDAARN O=C(Cn1c2sc3c(c2c2nc(-c4cccnc4)nn2c1=O)CCC3)N1CCOCC1 ZINC000013691873 556281480 /nfs/dbraw/zinc/28/14/80/556281480.db2.gz MFXJMJIPMLSTTJ-UHFFFAOYSA-N 0 0 436.497 1.515 50 0 IDAARN CCOC(=O)N1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 ZINC000013692739 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O=C(CN1CCOCC1)N1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000032760176 556320479 /nfs/dbraw/zinc/32/04/79/556320479.db2.gz JCVRGQLQRIGNBA-UHFFFAOYSA-N 0 0 436.350 1.484 50 0 IDAARN CCOc1ccc(N2C[C@@H](C(=O)NCc3cccc(NS(N)(=O)=O)c3)CC2=O)cc1 ZINC000032754067 556323160 /nfs/dbraw/zinc/32/31/60/556323160.db2.gz VBFNLPNTSNHTCQ-HNNXBMFYSA-N 0 0 432.502 1.370 50 0 IDAARN CSc1ccc(N2C[C@H](C(=O)NCc3cccc(NS(N)(=O)=O)c3)CC2=O)cc1 ZINC000032754080 556323379 /nfs/dbraw/zinc/32/33/79/556323379.db2.gz GZIQITBANVJSTM-CQSZACIVSA-N 0 0 434.543 1.693 50 0 IDAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000032754753 556323992 /nfs/dbraw/zinc/32/39/92/556323992.db2.gz KIBAMUPYYQJBBH-UHFFFAOYSA-N 0 0 429.546 1.972 50 0 IDAARN C[C@H](OC(=O)c1cc(Cl)c[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000032777143 556328252 /nfs/dbraw/zinc/32/82/52/556328252.db2.gz MRUHEFQKIBCJFX-LBPRGKRZSA-N 0 0 441.893 1.873 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000010490559 556336208 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CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCn2nnc3ccccc3c2=O)cc1 ZINC000029422290 556475108 /nfs/dbraw/zinc/47/51/08/556475108.db2.gz WYZMUWHPTZXLEW-UHFFFAOYSA-N 0 0 443.529 1.326 50 0 IDAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@](C)(O)c3ccc(F)cc3F)C2=O)cc1 ZINC000072285036 556475752 /nfs/dbraw/zinc/47/57/52/556475752.db2.gz IYXUVHXMHFKKKJ-YADHBBJMSA-N 0 0 447.438 1.764 50 0 IDAARN CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1=O ZINC000013127707 556476350 /nfs/dbraw/zinc/47/63/50/556476350.db2.gz JJARHQUKINLVGX-UHFFFAOYSA-N 0 0 440.544 1.824 50 0 IDAARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000072285510 556477139 /nfs/dbraw/zinc/47/71/39/556477139.db2.gz WNXCPKYWLJORIY-UHFFFAOYSA-N 0 0 446.305 1.687 50 0 IDAARN CCCCn1c(N)c(N(CC)CC(=O)NC(=O)Nc2ccc(C)cc2C)c(=O)[nH]c1=O ZINC000029684811 556479823 /nfs/dbraw/zinc/47/98/23/556479823.db2.gz VYNGLKIENZBTOC-UHFFFAOYSA-N 0 0 430.509 1.710 50 0 IDAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1C ZINC000013131364 556480407 /nfs/dbraw/zinc/48/04/07/556480407.db2.gz AWCQOSBKCHZTJQ-UHFFFAOYSA-N 0 0 427.413 1.238 50 0 IDAARN CCN(C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000013132727 556481033 /nfs/dbraw/zinc/48/10/33/556481033.db2.gz OKVKNCSZQABYEZ-AWEZNQCLSA-N 0 0 434.470 1.724 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000013137966 556484716 /nfs/dbraw/zinc/48/47/16/556484716.db2.gz KWFREQSBZOEWKC-OAQYLSRUSA-N 0 0 449.548 1.944 50 0 IDAARN CC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000013137770 556484747 /nfs/dbraw/zinc/48/47/47/556484747.db2.gz IVUJZQHLDLNDGS-KBPBESRZSA-N 0 0 443.953 1.442 50 0 IDAARN COc1ccc([C@@H](CNC(=O)c2cc3c([nH]c2=O)CCCC3=O)N2CCOCC2)cc1 ZINC000029881642 556485220 /nfs/dbraw/zinc/48/52/20/556485220.db2.gz VKSKRXIEELBZDA-HXUWFJFHSA-N 0 0 425.485 1.706 50 0 IDAARN Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cnn1-c1ccc(=O)[nH]n1 ZINC000029883260 556485610 /nfs/dbraw/zinc/48/56/10/556485610.db2.gz 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CN(C)S(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1 ZINC000013164589 556496830 /nfs/dbraw/zinc/49/68/30/556496830.db2.gz UVQUEMJCVBPHJE-NRFANRHFSA-N 0 0 444.513 1.525 50 0 IDAARN COCCn1c(CN2CCC[C@@H](CN3CCCC3=O)C2)cnc1S(=O)(=O)CC1CC1 ZINC000015074149 556498162 /nfs/dbraw/zinc/49/81/62/556498162.db2.gz XVOAQOJZBVNQRB-GOSISDBHSA-N 0 0 438.594 1.548 50 0 IDAARN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccnc2)c1 ZINC000032702318 556498293 /nfs/dbraw/zinc/49/82/93/556498293.db2.gz CMUPOWJRQIFRAO-UHFFFAOYSA-N 0 0 440.547 1.466 50 0 IDAARN C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000013296292 556501781 /nfs/dbraw/zinc/50/17/81/556501781.db2.gz ILHARJDHIPSJBM-YPMHNXCESA-N 0 0 435.506 1.739 50 0 IDAARN CSCC[C@H](NC(=O)C1CC1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000030672947 556501724 /nfs/dbraw/zinc/50/17/24/556501724.db2.gz SYDLHICQTRSXBH-SFHVURJKSA-N 0 0 436.553 1.556 50 0 IDAARN Cc1cc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2)n2ncnc2n1 ZINC000030690122 556502013 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434.470 1.375 50 0 IDAARN C[C@@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)C12CC3CC(CC(C3)C1)C2 ZINC000015314375 556518604 /nfs/dbraw/zinc/51/86/04/556518604.db2.gz YNPGLEHYRACKIM-KWJFTMPMSA-N 0 0 427.549 1.935 50 0 IDAARN COc1ccc(S(=O)(=O)N(C)CCCC(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000032892747 556520373 /nfs/dbraw/zinc/52/03/73/556520373.db2.gz YMFJAAUPEBIQNZ-HXUWFJFHSA-N 0 0 445.541 1.535 50 0 IDAARN O=S(=O)(NC1CCCCCC1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031772878 556526446 /nfs/dbraw/zinc/52/64/46/556526446.db2.gz YLFXTBAYFKLVRW-QGZVFWFLSA-N 0 0 435.589 1.649 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ncc(Cl)n3C)CC2)cc1 ZINC000015445108 556528531 /nfs/dbraw/zinc/52/85/31/556528531.db2.gz GOBLWYQCUDHDFI-UHFFFAOYSA-N 0 0 426.926 1.757 50 0 IDAARN O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1 ZINC000015485245 556530465 /nfs/dbraw/zinc/53/04/65/556530465.db2.gz YEUYDVIVROSDQO-JOCHJYFZSA-N 0 0 443.569 1.734 50 0 IDAARN O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCOCC1 ZINC000015485244 556530484 /nfs/dbraw/zinc/53/04/84/556530484.db2.gz YEUYDVIVROSDQO-QFIPXVFZSA-N 0 0 443.569 1.734 50 0 IDAARN CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC(C)C ZINC000013593466 556531244 /nfs/dbraw/zinc/53/12/44/556531244.db2.gz FNQFDIRQBLYPKQ-SFHVURJKSA-N 0 0 441.619 1.850 50 0 IDAARN COc1cc(C)ccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000032721312 556531750 /nfs/dbraw/zinc/53/17/50/556531750.db2.gz PYIUVJLJVALDGK-UHFFFAOYSA-N 0 0 436.486 1.748 50 0 IDAARN CCn1cc(C(=O)NCC(=O)NCCc2ccc(O)cc2)c(=O)c2cc3c(cc21)OCO3 ZINC000013609297 556534153 /nfs/dbraw/zinc/53/41/53/556534153.db2.gz ZWHDQLCXGXZKFU-UHFFFAOYSA-N 0 0 437.452 1.544 50 0 IDAARN CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCOCC2)c1=O)CC[C@@H](C)C3 ZINC000013609225 556534154 /nfs/dbraw/zinc/53/41/54/556534154.db2.gz KDWMRUUDLLOQKR-CQSZACIVSA-N 0 0 435.546 1.245 50 0 IDAARN NC(=O)c1c2c(sc1NC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)CCC2 ZINC000013624202 556536452 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443.514 1.534 50 0 IDAARN O=C([O-])[C@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000071283425 556559583 /nfs/dbraw/zinc/55/95/83/556559583.db2.gz XGBFBRKHVIFTSP-GOSISDBHSA-N 0 0 440.500 1.700 50 0 IDAARN O=S(=O)(CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCNCC1 ZINC000015868920 556559671 /nfs/dbraw/zinc/55/96/71/556559671.db2.gz SPSZMIFNFHGYIB-UHFFFAOYSA-N 0 0 441.550 1.252 50 0 IDAARN COc1ccc(C(=O)N2CCC(NC(N)=O)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000072306316 556559870 /nfs/dbraw/zinc/55/98/70/556559870.db2.gz OUGTYAXNJGZOAX-UHFFFAOYSA-N 0 0 438.550 1.533 50 0 IDAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC(N(C)CC(F)F)CC1 ZINC000072308770 556567470 /nfs/dbraw/zinc/56/74/70/556567470.db2.gz LTGCDRSZBCQJGC-ZDUSSCGKSA-N 0 0 430.521 1.273 50 0 IDAARN CCOC(=O)CCCNC(=O)CN1CCN([C@H](C(=O)OC)c2ccccc2Cl)CC1 ZINC000032909345 556573077 /nfs/dbraw/zinc/57/30/77/556573077.db2.gz BDPLZDJWFJIYLL-FQEVSTJZSA-N 0 0 439.940 1.631 50 0 IDAARN O=C(CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000032909369 556573117 /nfs/dbraw/zinc/57/31/17/556573117.db2.gz ITIIYWBGCKLKIR-OAQYLSRUSA-N 0 0 434.544 1.175 50 0 IDAARN Cc1c2c(ccc1Cl)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016010028 556573696 /nfs/dbraw/zinc/57/36/96/556573696.db2.gz NWPDCQTUHRNAIP-PPSDVSMJSA-N 0 0 444.919 1.577 50 0 IDAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016013088 556574422 /nfs/dbraw/zinc/57/44/22/556574422.db2.gz HJZSLJCUWMONSV-YDGKCNFYSA-N 0 0 438.871 1.136 50 0 IDAARN O=C([O-])CC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021994 556575346 /nfs/dbraw/zinc/57/53/46/556575346.db2.gz RTTDALGSQFWQQJ-ZHNFZGJGSA-N 0 0 433.464 1.515 50 0 IDAARN O=C([O-])CC[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016021992 556575437 /nfs/dbraw/zinc/57/54/37/556575437.db2.gz RTTDALGSQFWQQJ-HMSHQKHKSA-N 0 0 433.464 1.515 50 0 IDAARN CCn1nc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O ZINC000032910530 556575937 /nfs/dbraw/zinc/57/59/37/556575937.db2.gz SWMPFSJDNXGYSB-UHFFFAOYSA-N 0 0 438.440 1.151 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 ZINC000016030075 556576806 /nfs/dbraw/zinc/57/68/06/556576806.db2.gz PLROOIZZXLNFSK-IRXDYDNUSA-N 0 0 434.518 1.658 50 0 IDAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000032910069 556578653 /nfs/dbraw/zinc/57/86/53/556578653.db2.gz PLJTWSFAMZMHKM-HUUCEWRRSA-N 0 0 442.509 1.793 50 0 IDAARN Cn1c(=O)c(C(=O)CN2CCN(Cc3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000022939645 556584711 /nfs/dbraw/zinc/58/47/11/556584711.db2.gz LQBZZEYXGKMZPY-UHFFFAOYSA-N 0 0 447.539 1.178 50 0 IDAARN COc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000034889338 556585856 /nfs/dbraw/zinc/58/58/56/556585856.db2.gz KAKXBGKPFHLDAY-GDBMZVCRSA-N 0 0 444.575 1.517 50 0 IDAARN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1nc2ccccc2n1C 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428.599 1.400 50 0 IDAARN COc1ccc(F)c(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000019220855 556715033 /nfs/dbraw/zinc/71/50/33/556715033.db2.gz BACFPSIJHDFYFN-GOSISDBHSA-N 0 0 425.530 1.730 50 0 IDAARN O=C(Cn1ccc2ccc(Br)cc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000061718184 556724316 /nfs/dbraw/zinc/72/43/16/556724316.db2.gz PZQHROQHKBVWRB-MRXNPFEDSA-N 0 0 440.363 1.735 50 0 IDAARN COc1cccc(-c2nc(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cs2)c1 ZINC000061722044 556730085 /nfs/dbraw/zinc/73/00/85/556730085.db2.gz VWFAJEHYCVPIKF-QGZVFWFLSA-N 0 0 435.571 1.693 50 0 IDAARN CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)CC1 ZINC000055100326 556734603 /nfs/dbraw/zinc/73/46/03/556734603.db2.gz WVPORVDMSJQSKF-QGZVFWFLSA-N 0 0 440.903 1.470 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CN3CN(C2)CN(S(=O)(=O)c2ccc(C)cc2)C3)cc1 ZINC000019324001 556736171 /nfs/dbraw/zinc/73/61/71/556736171.db2.gz NVLQDFUOYSUKQZ-UHFFFAOYSA-N 0 0 436.559 1.404 50 0 IDAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCCOc1cccnc1 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COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2cnn(C)c2)c(C)c1C ZINC000076922175 556993943 /nfs/dbraw/zinc/99/39/43/556993943.db2.gz HZFNQGGOUKTXGH-FQEVSTJZSA-N 0 0 427.549 1.437 50 0 IDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cc(C)ccc1OC)c(=O)n2C ZINC000020168556 556994294 /nfs/dbraw/zinc/99/42/94/556994294.db2.gz RFEIORSAYUSBPJ-UHFFFAOYSA-N 0 0 440.456 1.536 50 0 IDAARN Nc1cc(N)nc(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198380 556997561 /nfs/dbraw/zinc/99/75/61/556997561.db2.gz AHVSAGISFNVUIQ-INIZCTEOSA-N 0 0 430.515 1.761 50 0 IDAARN COCCn1c(CN(C)C[C@H]2COc3ccccc3O2)cnc1S(=O)(=O)CC1CC1 ZINC000020208610 556998309 /nfs/dbraw/zinc/99/83/09/556998309.db2.gz NTFXQZIYTUQSCQ-SFHVURJKSA-N 0 0 435.546 1.985 50 0 IDAARN COc1cccc([C@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CCOCC2)c1 ZINC000023107147 557001716 /nfs/dbraw/zinc/00/17/16/557001716.db2.gz PRPJGOAPPOZGRD-FQEVSTJZSA-N 0 0 427.501 1.510 50 0 IDAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1OC ZINC000023107316 557001817 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1.274 50 0 IDAARN CC[C@H](C)NC(=O)CSc1nnc(CN(c2ccc(F)cc2)S(C)(=O)=O)n1C ZINC000020416357 557014522 /nfs/dbraw/zinc/01/45/22/557014522.db2.gz WPUZLUFLPNGWFB-LBPRGKRZSA-N 0 0 429.543 1.927 50 0 IDAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC(=O)Nc1cccc(F)c1)c(=O)n2C ZINC000020428013 557015746 /nfs/dbraw/zinc/01/57/46/557015746.db2.gz QYDGHBHEQLTJGK-UHFFFAOYSA-N 0 0 426.404 1.537 50 0 IDAARN COc1cc(OC)c(NC(=O)Cn2nc(SC)c(S(C)(=O)=O)c2N)cc1Cl ZINC000045986686 557016098 /nfs/dbraw/zinc/01/60/98/557016098.db2.gz KFFRRSXEVCXNKX-UHFFFAOYSA-N 0 0 434.927 1.900 50 0 IDAARN CS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023134268 557017055 /nfs/dbraw/zinc/01/70/55/557017055.db2.gz MARWMWKRVHFAED-UHFFFAOYSA-N 0 0 426.502 1.024 50 0 IDAARN NC(=O)c1cccc(CNC(=O)c2ccc(C(=O)NCc3cccc(C(N)=O)c3)cc2)c1 ZINC000023133563 557017141 /nfs/dbraw/zinc/01/71/41/557017141.db2.gz KVPNSXYHIRMVAP-UHFFFAOYSA-N 0 0 430.464 1.744 50 0 IDAARN NS(=O)(=O)Cc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000010707232 557019434 /nfs/dbraw/zinc/01/94/34/557019434.db2.gz LKRLWYLJLRSCKH-UHFFFAOYSA-N 0 0 432.498 1.916 50 0 IDAARN COc1cccc(CSc2nc(C)c(CC(=O)N3CCC(C(N)=O)CC3)c(=O)[nH]2)c1 ZINC000023138511 557021640 /nfs/dbraw/zinc/02/16/40/557021640.db2.gz UKOQSSQOEAXSKV-UHFFFAOYSA-N 0 0 430.530 1.646 50 0 IDAARN CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000010758762 557024662 /nfs/dbraw/zinc/02/46/62/557024662.db2.gz PWNPOCVHPZOWTR-UHFFFAOYSA-N 0 0 426.516 1.376 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 ZINC000023144539 557026127 /nfs/dbraw/zinc/02/61/27/557026127.db2.gz XUSHTWRYJCFIRV-UHFFFAOYSA-N 0 0 443.533 1.936 50 0 IDAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1=O ZINC000010803054 557028074 /nfs/dbraw/zinc/02/80/74/557028074.db2.gz FWWMRMLFTKSPLB-HXUWFJFHSA-N 0 0 428.470 1.121 50 0 IDAARN Cc1cc(NC(=O)[C@H](C)OC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)no1 ZINC000011279979 557034500 /nfs/dbraw/zinc/03/45/00/557034500.db2.gz COSSQTNEUKVXLV-KBPBESRZSA-N 0 0 446.485 1.714 50 0 IDAARN COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C)cc1 ZINC000046086783 557035976 /nfs/dbraw/zinc/03/59/76/557035976.db2.gz IMHVERDXLNBNCL-IBGZPJMESA-N 0 0 425.485 1.132 50 0 IDAARN CCCSc1ncc(Br)c(C(=O)NCC(=O)NCCCC(=O)OC)n1 ZINC000046086662 557035982 /nfs/dbraw/zinc/03/59/82/557035982.db2.gz XIBQFNPVMHOFHU-UHFFFAOYSA-N 0 0 433.328 1.540 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnnn2-c2ccc(F)cc2)cc1 ZINC000017287942 557045305 /nfs/dbraw/zinc/04/53/05/557045305.db2.gz SRBUOZDQOZGSAC-UHFFFAOYSA-N 0 0 432.481 1.762 50 0 IDAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000048235421 557046891 /nfs/dbraw/zinc/04/68/91/557046891.db2.gz XYJQGTFZYVPFPX-MGPUTAFESA-N 0 0 442.541 1.175 50 0 IDAARN CCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)c2)no1 ZINC000033269675 557047263 /nfs/dbraw/zinc/04/72/63/557047263.db2.gz AZYLGHSBXIAZOD-KRWDZBQOSA-N 0 0 448.545 1.995 50 0 IDAARN O=c1nc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000022927173 557049029 /nfs/dbraw/zinc/04/90/29/557049029.db2.gz UBPRSQMCXMQBNT-MRXNPFEDSA-N 0 0 444.582 1.956 50 0 IDAARN CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)CC2)C1=O ZINC000017271983 557049366 /nfs/dbraw/zinc/04/93/66/557049366.db2.gz DBEXNVBLBYWLRA-UHFFFAOYSA-N 0 0 434.518 1.081 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000048261358 557049437 /nfs/dbraw/zinc/04/94/37/557049437.db2.gz LXVLOQDGJMLKST-GOSISDBHSA-N 0 0 436.578 1.626 50 0 IDAARN COCCCNC(=O)CN1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000022934518 557052111 /nfs/dbraw/zinc/05/21/11/557052111.db2.gz CWBGXFHRPQWHPN-UHFFFAOYSA-N 0 0 442.354 1.491 50 0 IDAARN O=C(Nc1cccnc1N1CCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000048253013 557052243 /nfs/dbraw/zinc/05/22/43/557052243.db2.gz JQDFQMFGFZIIDW-UHFFFAOYSA-N 0 0 429.502 1.055 50 0 IDAARN CCOCCCNC(=O)N1CCN(Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)CC1 ZINC000033275810 557055247 /nfs/dbraw/zinc/05/52/47/557055247.db2.gz HIEVJJJYRWKYOQ-UHFFFAOYSA-N 0 0 444.580 1.965 50 0 IDAARN CCOC(=O)CNC(=O)N1CCN(Cc2nc3cc(C(=O)NC(C)C)ccc3n2C)CC1 ZINC000033275805 557055397 /nfs/dbraw/zinc/05/53/97/557055397.db2.gz QOVVCHCQGUAJDW-UHFFFAOYSA-N 0 0 444.536 1.102 50 0 IDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000022976611 557055476 /nfs/dbraw/zinc/05/54/76/557055476.db2.gz MBBJPKFSIGNKCO-HXUWFJFHSA-N 0 0 444.557 1.311 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000048291094 557055747 /nfs/dbraw/zinc/05/57/47/557055747.db2.gz FJCOHBOMEGKKDV-HXUWFJFHSA-N 0 0 446.573 1.394 50 0 IDAARN Cc1oc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000048277047 557056636 /nfs/dbraw/zinc/05/66/36/557056636.db2.gz ATKMZUOOZRZFKG-UHFFFAOYSA-N 0 0 434.518 1.534 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCCCC3)ncc2c1=O ZINC000033277290 557058672 /nfs/dbraw/zinc/05/86/72/557058672.db2.gz HZMJMSKXJBWUMX-UHFFFAOYSA-N 0 0 436.472 1.992 50 0 IDAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc(C(N)=O)s3)CC2)cc1 ZINC000023054840 557060520 /nfs/dbraw/zinc/06/05/20/557060520.db2.gz WAWIOCNDSUGBAW-UHFFFAOYSA-N 0 0 438.531 1.680 50 0 IDAARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000048310409 557060560 /nfs/dbraw/zinc/06/05/60/557060560.db2.gz IQLLUGMNUOAJIB-UHFFFAOYSA-N 0 0 431.518 1.780 50 0 IDAARN COc1ccccc1C(=O)NCCC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000048299287 557061314 /nfs/dbraw/zinc/06/13/14/557061314.db2.gz ZKLPIRCEPBFHKD-SFHVURJKSA-N 0 0 428.411 1.505 50 0 IDAARN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)CS2 ZINC000023078699 557062441 /nfs/dbraw/zinc/06/24/41/557062441.db2.gz NKJMDGHRLHAUDV-YJBOKZPZSA-N 0 0 445.513 1.252 50 0 IDAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000023111144 557064116 /nfs/dbraw/zinc/06/41/16/557064116.db2.gz PPZLEQWGURRJAB-UHFFFAOYSA-N 0 0 439.447 1.512 50 0 IDAARN CCCn1c2nc(C)n(CCOC)c2c(=O)n(CC(=O)Nc2cccc(OC)c2)c1=O ZINC000010883430 557067985 /nfs/dbraw/zinc/06/79/85/557067985.db2.gz SMVFUUNIOVXMAS-UHFFFAOYSA-N 0 0 429.477 1.372 50 0 IDAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000017360280 557069056 /nfs/dbraw/zinc/06/90/56/557069056.db2.gz ZIXAHUVJYMMAOC-UHFFFAOYSA-N 0 0 442.497 1.985 50 0 IDAARN CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(C(C)=O)CC1 ZINC000023156657 557070134 /nfs/dbraw/zinc/07/01/34/557070134.db2.gz DSCIGEGWYCNHJY-MRXNPFEDSA-N 0 0 442.379 1.991 50 0 IDAARN COC(=O)C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 ZINC000048344402 557071736 /nfs/dbraw/zinc/07/17/36/557071736.db2.gz OYKUQOAJHBVKGN-UGKGYDQZSA-N 0 0 435.480 1.883 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)CNC(=O)[C@@H]3C[C@H]3C)c2)cc1 ZINC000023190418 557072403 /nfs/dbraw/zinc/07/24/03/557072403.db2.gz VOPXWRMELMSDCT-MLGOLLRUSA-N 0 0 433.486 1.912 50 0 IDAARN CSc1nn(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(=S)s1 ZINC000023195146 557072644 /nfs/dbraw/zinc/07/26/44/557072644.db2.gz LCBGTPITWLLTPB-RYUDHWBXSA-N 0 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NC(=O)C1(N2CCCCC2)CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 ZINC000033301804 557083368 /nfs/dbraw/zinc/08/33/68/557083368.db2.gz MQDFLFUUKJPAOF-UHFFFAOYSA-N 0 0 444.561 1.202 50 0 IDAARN COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1S(=O)(=O)N(C)C ZINC000023322177 557083831 /nfs/dbraw/zinc/08/38/31/557083831.db2.gz GGAVSKMLBBVNMF-QEJZJMRPSA-N 0 0 435.502 1.224 50 0 IDAARN COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CCN(Cc1ccc(C)o1)CC2 ZINC000023338756 557085220 /nfs/dbraw/zinc/08/52/20/557085220.db2.gz ZSRYFUGDODJTSG-SFHVURJKSA-N 0 0 443.500 1.594 50 0 IDAARN CCOC(=O)c1ccccc1NC(=O)Cn1nc2c3sc(N(C)C)nc3ncn2c1=O ZINC000033309209 557090626 /nfs/dbraw/zinc/09/06/26/557090626.db2.gz GTWBUNIJNKVWNB-UHFFFAOYSA-N 0 0 441.473 1.382 50 0 IDAARN COc1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000011328685 557091349 /nfs/dbraw/zinc/09/13/49/557091349.db2.gz ZNHGRKKVRWDAAG-HXUWFJFHSA-N 0 0 428.441 1.316 50 0 IDAARN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000023458631 557092781 /nfs/dbraw/zinc/09/27/81/557092781.db2.gz VWHBCFRKYHGPNA-UHFFFAOYSA-N 0 0 427.523 1.304 50 0 IDAARN CNC(=O)NC(=O)[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccccc1 ZINC000023486118 557094600 /nfs/dbraw/zinc/09/46/00/557094600.db2.gz FGSJQBIFYRMZQY-CQURBHOASA-N 0 0 430.461 1.227 50 0 IDAARN O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)NCc1cccc(C(F)(F)F)c1 ZINC000049400030 557095675 /nfs/dbraw/zinc/09/56/75/557095675.db2.gz NBUQGBACRATUQZ-UHFFFAOYSA-N 0 0 436.394 1.063 50 0 IDAARN CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000010912058 557097875 /nfs/dbraw/zinc/09/78/75/557097875.db2.gz PXEBXZXGYQSFKI-UHFFFAOYSA-N 0 0 429.486 1.598 50 0 IDAARN O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)Nc1ccc2c(c1)OCO2 ZINC000011337600 557100570 /nfs/dbraw/zinc/10/05/70/557100570.db2.gz YRKJBZIKYPJHOF-HNNXBMFYSA-N 0 0 447.517 1.753 50 0 IDAARN COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 ZINC000072191669 557101100 /nfs/dbraw/zinc/10/11/00/557101100.db2.gz BLIWLSHQUQWHSI-ZDUSSCGKSA-N 0 0 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ZINC000049421708 557108590 /nfs/dbraw/zinc/10/85/90/557108590.db2.gz ZAWNLFMPVHHHNE-UHFFFAOYSA-N 0 0 431.445 1.540 50 0 IDAARN COC(=O)c1cn([C@H](C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c(=O)[nH]nc1-2 ZINC000409415306 557110321 /nfs/dbraw/zinc/11/03/21/557110321.db2.gz ABMCQJCBTALKFU-MCIONIFRSA-N 0 0 437.456 1.244 50 0 IDAARN O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000049504259 557114103 /nfs/dbraw/zinc/11/41/03/557114103.db2.gz OWSUJQKZRAQTFN-QGZVFWFLSA-N 0 0 437.518 1.357 50 0 IDAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)C1 ZINC000017748093 557114695 /nfs/dbraw/zinc/11/46/95/557114695.db2.gz SLRRFABZUSIOOD-SOLBZPMBSA-N 0 0 438.546 1.900 50 0 IDAARN Cc1cccc(N2CCN(C(=O)Cn3c(=O)ccn(Cc4cccc(F)c4)c3=O)CC2)c1 ZINC000033331229 557114906 /nfs/dbraw/zinc/11/49/06/557114906.db2.gz QLANKKLZXJSOKV-UHFFFAOYSA-N 0 0 436.487 1.855 50 0 IDAARN O=C(C[C@H]1Oc2ccccc2NC1=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000023797701 557116355 /nfs/dbraw/zinc/11/63/55/557116355.db2.gz KQTXKUFFRISJTE-WOJBJXKFSA-N 0 0 437.452 1.287 50 0 IDAARN CCCN(C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000049643439 557116647 /nfs/dbraw/zinc/11/66/47/557116647.db2.gz VNISTAFPFJQAFP-CRAIPNDOSA-N 0 0 446.529 1.057 50 0 IDAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000023805273 557117067 /nfs/dbraw/zinc/11/70/67/557117067.db2.gz JFMUONDGLKQIKX-QHCPKHFHSA-N 0 0 440.475 1.758 50 0 IDAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000023819210 557118958 /nfs/dbraw/zinc/11/89/58/557118958.db2.gz YVAICCRQQYDXHR-HSZRJFAPSA-N 0 0 433.468 1.739 50 0 IDAARN CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nnnn2C)c2ccccc2)cc1 ZINC000098087246 557123817 /nfs/dbraw/zinc/12/38/17/557123817.db2.gz YUMCOWKXFYWACM-MRXNPFEDSA-N 0 0 432.531 1.980 50 0 IDAARN CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000017861198 557126626 /nfs/dbraw/zinc/12/66/26/557126626.db2.gz 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CCCc1cc(=O)[nH]c(SCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)n1 ZINC000011438147 557147762 /nfs/dbraw/zinc/14/77/62/557147762.db2.gz NIQQWMQVDPKYHT-FQEVSTJZSA-N 0 0 445.501 1.734 50 0 IDAARN COC(=O)C[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 ZINC000024493156 557148346 /nfs/dbraw/zinc/14/83/46/557148346.db2.gz GUXMZTCLGREFOA-KRWDZBQOSA-N 0 0 429.498 1.844 50 0 IDAARN Cc1cc(CSc2ncccc2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)no1 ZINC000024601635 557152462 /nfs/dbraw/zinc/15/24/62/557152462.db2.gz BLLPSHUXXDCMDP-INIZCTEOSA-N 0 0 436.559 1.615 50 0 IDAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C ZINC000024605174 557152898 /nfs/dbraw/zinc/15/28/98/557152898.db2.gz AITWZFWXWMKZKM-NRFANRHFSA-N 0 0 431.558 1.736 50 0 IDAARN CCOC(=O)c1cnc(SCC(=O)NCc2ccccc2CN2CCOCC2)nc1N ZINC000024759320 557163988 /nfs/dbraw/zinc/16/39/88/557163988.db2.gz HRWIZQHWEIFPFH-UHFFFAOYSA-N 0 0 445.545 1.476 50 0 IDAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)Cn1cnc2ccccc2c1=O ZINC000206803003 557165059 /nfs/dbraw/zinc/16/50/59/557165059.db2.gz DGEUFFBZTBMOGP-KSSFIOAISA-N 0 0 425.416 1.757 50 0 IDAARN Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)CC2=O)cc1C ZINC000206904570 557165978 /nfs/dbraw/zinc/16/59/78/557165978.db2.gz HRNSHRAWUZISIR-SFHVURJKSA-N 0 0 446.515 1.376 50 0 IDAARN COc1ccc(C(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000024787802 557167698 /nfs/dbraw/zinc/16/76/98/557167698.db2.gz YPWXVYVJMCLEOG-UHFFFAOYSA-N 0 0 425.434 1.890 50 0 IDAARN COc1ccc(C)cc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000024831149 557170377 /nfs/dbraw/zinc/17/03/77/557170377.db2.gz SSNJEKXUOCJMSS-UHFFFAOYSA-N 0 0 431.514 1.396 50 0 IDAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=O)CSCc1ccccc1 ZINC000024843625 557173832 /nfs/dbraw/zinc/17/38/32/557173832.db2.gz CGWVJPARNYXTRL-UHFFFAOYSA-N 0 0 437.543 1.236 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 ZINC000024894906 557177273 /nfs/dbraw/zinc/17/72/73/557177273.db2.gz ATYDJSDOHGAFPF-OAQYLSRUSA-N 0 0 445.497 1.546 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000024925529 557179880 /nfs/dbraw/zinc/17/98/80/557179880.db2.gz KSTDSLCNWIKFEI-HXUWFJFHSA-N 0 0 432.498 1.805 50 0 IDAARN Cn1c(=O)c2cc(C(=O)Nc3cc4c(cc3Br)OCCO4)cnc2n(C)c1=O ZINC000024946895 557181738 /nfs/dbraw/zinc/18/17/38/557181738.db2.gz PZVDLPWEHYESSM-UHFFFAOYSA-N 0 0 447.245 1.418 50 0 IDAARN NC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000024976667 557184709 /nfs/dbraw/zinc/18/47/09/557184709.db2.gz WOAHMWFSYQKJTE-OAHLLOKOSA-N 0 0 426.498 1.958 50 0 IDAARN CN(C)c1nc(N)nc(COC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000025029526 557189887 /nfs/dbraw/zinc/18/98/87/557189887.db2.gz HBPKOIKKRCDUKT-IGMNZBQBSA-N 0 0 428.537 1.770 50 0 IDAARN Cc1cccc(NC(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 ZINC000025065521 557193833 /nfs/dbraw/zinc/19/38/33/557193833.db2.gz CNVCBRCJBAGRAZ-UHFFFAOYSA-N 0 0 445.545 1.765 50 0 IDAARN Cn1c2ncn(CCOC(=O)c3ccc(OCc4cscn4)cc3)c2c(=O)n(C)c1=O ZINC000025066855 557194288 /nfs/dbraw/zinc/19/42/88/557194288.db2.gz QPNZFAOMLFCJIM-UHFFFAOYSA-N 0 0 441.469 1.326 50 0 IDAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cccc(OC)c1 ZINC000100876607 557195404 /nfs/dbraw/zinc/19/54/04/557195404.db2.gz VEVKUJLAKPVSIO-ZZEZOPTASA-N 0 0 435.483 1.273 50 0 IDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)[C@@H]1COc2ccccc2O1 ZINC000100873031 557195915 /nfs/dbraw/zinc/19/59/15/557195915.db2.gz ADULVPJPCVFUPI-XOMICKMZSA-N 0 0 449.510 1.264 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 ZINC000025169770 557198381 /nfs/dbraw/zinc/19/83/81/557198381.db2.gz FRBLMOZNWCYPGJ-UHFFFAOYSA-N 0 0 446.533 1.727 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1-c1ccc(C(N)=O)cc1 ZINC000072233883 557199026 /nfs/dbraw/zinc/19/90/26/557199026.db2.gz GWLZZEVQERIMKU-UHFFFAOYSA-N 0 0 442.479 1.903 50 0 IDAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000025209034 557199843 /nfs/dbraw/zinc/19/98/43/557199843.db2.gz 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CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 ZINC000011603603 557208031 /nfs/dbraw/zinc/20/80/31/557208031.db2.gz YHZMLQWSORROAW-UHFFFAOYSA-N 0 0 431.470 1.746 50 0 IDAARN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000025404616 557208718 /nfs/dbraw/zinc/20/87/18/557208718.db2.gz YIQLDXQBKAAOHW-OXJNMPFZSA-N 0 0 444.532 1.518 50 0 IDAARN C[C@H]1c2cc(C(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)ccc2NC1=O ZINC000100969405 557208959 /nfs/dbraw/zinc/20/89/59/557208959.db2.gz WLDQEENCJRLNMB-RYUDHWBXSA-N 0 0 434.543 1.823 50 0 IDAARN CCOc1ccc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)cc1 ZINC000169764939 557211795 /nfs/dbraw/zinc/21/17/95/557211795.db2.gz ABXYMHBEGVDZST-UHFFFAOYSA-N 0 0 425.445 1.742 50 0 IDAARN O=C(CCN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000025677949 557221572 /nfs/dbraw/zinc/22/15/72/557221572.db2.gz HZYWPLHSRUMZFI-UHFFFAOYSA-N 0 0 437.543 1.854 50 0 IDAARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000010717345 557224347 /nfs/dbraw/zinc/22/43/47/557224347.db2.gz SVMMRDBNRYPAFM-UHFFFAOYSA-N 0 0 448.453 1.232 50 0 IDAARN COc1ccc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)cc1Br ZINC000010806873 557225015 /nfs/dbraw/zinc/22/50/15/557225015.db2.gz LZLXFFMQXQLHTM-UHFFFAOYSA-N 0 0 441.669 1.741 50 0 IDAARN Cn1c2nc(-c3ccccc3)n(CCN3C(=O)c4ccccc4C3=O)c2c(=O)n(C)c1=O ZINC000025782762 557225737 /nfs/dbraw/zinc/22/57/37/557225737.db2.gz HZJFJNALUGHJSK-UHFFFAOYSA-N 0 0 429.436 1.397 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CN2CCCCCC2=O)cc1 ZINC000011385265 557228841 /nfs/dbraw/zinc/22/88/41/557228841.db2.gz VOCGGCNCCQLFEM-UHFFFAOYSA-N 0 0 439.534 1.601 50 0 IDAARN COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000000806197 557229999 /nfs/dbraw/zinc/22/99/99/557229999.db2.gz XJOMVQVQJZRTSB-UHFFFAOYSA-N 0 0 445.541 1.679 50 0 IDAARN CCN(CC)C(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1 ZINC000011612407 557230041 /nfs/dbraw/zinc/23/00/41/557230041.db2.gz OSOAFNOEPLZHDH-UHFFFAOYSA-N 0 0 444.311 1.920 50 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1.829 50 0 IDAARN Cc1cc2c(c(C)c1)NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105379590 557496811 /nfs/dbraw/zinc/49/68/11/557496811.db2.gz RPQFRVHPUSVADI-XISCYFFVSA-N 0 0 433.508 1.647 50 0 biogenic IDAARN COC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000019911673 557498879 /nfs/dbraw/zinc/49/88/79/557498879.db2.gz ILWXFCVXVYSLSZ-PMACEKPBSA-N 0 0 439.468 1.656 50 0 IDAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C ZINC000018378290 557500418 /nfs/dbraw/zinc/50/04/18/557500418.db2.gz HWOVHKYIBDYZBV-ZDUSSCGKSA-N 0 0 432.454 1.793 50 0 IDAARN CCOC(=O)[C@@H]1CSCCN1C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000105769287 557510148 /nfs/dbraw/zinc/51/01/48/557510148.db2.gz CHCVUBWZGSGKIK-PJSUUKDQSA-N 0 0 425.551 1.630 50 0 IDAARN COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000106187101 557521610 /nfs/dbraw/zinc/52/16/10/557521610.db2.gz BZFLVNVYPHVOLG-CKEIUWERSA-N 0 0 425.507 1.654 50 0 IDAARN CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000012030696 557523946 /nfs/dbraw/zinc/52/39/46/557523946.db2.gz ZXWVJVBJWBNTRE-SFHVURJKSA-N 0 0 436.511 1.858 50 0 IDAARN COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000012030703 557523989 /nfs/dbraw/zinc/52/39/89/557523989.db2.gz BAYWUIRWFNGNFG-HNNXBMFYSA-N 0 0 437.495 1.686 50 0 IDAARN O=C(NCc1ccccc1F)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000012031045 557524255 /nfs/dbraw/zinc/52/42/55/557524255.db2.gz ALSSIZLQLHIIKF-CQSZACIVSA-N 0 0 429.466 1.856 50 0 IDAARN COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000012029483 557524672 /nfs/dbraw/zinc/52/46/72/557524672.db2.gz BYLWECWSPSSSNL-IBGZPJMESA-N 0 0 437.539 1.629 50 0 IDAARN COc1ccc(C(=O)N2CCO[C@H]2CNC(=O)C(=O)NCc2ccccc2Cl)cc1 ZINC000012080719 557527530 /nfs/dbraw/zinc/52/75/30/557527530.db2.gz GRRQWZPPMPVJEY-SFHVURJKSA-N 0 0 431.876 1.580 50 0 IDAARN C[C@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)[C@H]1CO ZINC000107539887 557536022 /nfs/dbraw/zinc/53/60/22/557536022.db2.gz WJHCSFXGXZPMJZ-GWCFXTLKSA-N 0 0 426.354 1.634 50 0 IDAARN O=C(Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000044837218 557538859 /nfs/dbraw/zinc/53/88/59/557538859.db2.gz JGNNPALAUNMUQY-UHFFFAOYSA-N 0 0 436.403 1.221 50 0 IDAARN CN(C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000044892456 557539883 /nfs/dbraw/zinc/53/98/83/557539883.db2.gz SDJLATXYDAUTBL-CQSZACIVSA-N 0 0 440.319 1.318 50 0 IDAARN O=C(COc1coc(CN2CCSCC2)cc1=O)N1CCN(Cc2ccccc2)CC1 ZINC000044901485 557540113 /nfs/dbraw/zinc/54/01/13/557540113.db2.gz FTIHZJUYSAQGDR-UHFFFAOYSA-N 0 0 443.569 1.912 50 0 IDAARN O=C(CNC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nnc([C@@H]2CCCO2)s1 ZINC000044901216 557540243 /nfs/dbraw/zinc/54/02/43/557540243.db2.gz OHFMAWNUPLTSOM-HNNXBMFYSA-N 0 0 434.497 1.999 50 0 IDAARN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000108977645 557545081 /nfs/dbraw/zinc/54/50/81/557545081.db2.gz UWRSMHYKYWQDQM-UYAOXDASSA-N 0 0 438.553 1.991 50 0 IDAARN Cc1ccc(-n2nc(-c3noc(C(=O)NCCC4=CCCCC4)n3)c(=O)n(C)c2=O)cc1 ZINC000045946537 557551034 /nfs/dbraw/zinc/55/10/34/557551034.db2.gz UTMKSPIEPFRZIN-UHFFFAOYSA-N 0 0 436.472 1.910 50 0 IDAARN C[C@@H](CCc1ccco1)NC(=O)c1nc(-c2nn(-c3ccccc3)c(=O)n(C)c2=O)no1 ZINC000045945837 557554357 /nfs/dbraw/zinc/55/43/57/557554357.db2.gz JHEGIECUXLSXJO-ZDUSSCGKSA-N 0 0 436.428 1.325 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000045969876 557557576 /nfs/dbraw/zinc/55/75/76/557557576.db2.gz CUSLAPJCAOWQRI-UHFFFAOYSA-N 0 0 431.470 1.466 50 0 IDAARN COC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)cc1 ZINC000045970633 557558065 /nfs/dbraw/zinc/55/80/65/557558065.db2.gz ITVSBWDSOKCGHC-UHFFFAOYSA-N 0 0 445.526 1.832 50 0 IDAARN O=C(Cn1cnc2nc(N3CCCC3)sc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000045970605 557558112 /nfs/dbraw/zinc/55/81/12/557558112.db2.gz FFMCKKLZAXWLBU-UHFFFAOYSA-N 0 0 442.520 1.941 50 0 IDAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000225455216 557724805 /nfs/dbraw/zinc/72/48/05/557724805.db2.gz KBQYGCIVISVARR-LBPRGKRZSA-N 0 0 432.545 1.270 50 0 IDAARN Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@H](Oc3ncccc3F)C2)cn1C ZINC000225628304 557753976 /nfs/dbraw/zinc/75/39/76/557753976.db2.gz TWMTWLNYRUYQSP-AWEZNQCLSA-N 0 0 425.486 1.001 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCCCO[C@@H]2CCCCO2)cc1C ZINC000225842580 557784183 /nfs/dbraw/zinc/78/41/83/557784183.db2.gz PIBUITDDZROIMQ-YZGWKJHDSA-N 0 0 441.546 1.904 50 0 IDAARN COC(CCCC(C)(C)CNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)OC ZINC000225852856 557785485 /nfs/dbraw/zinc/78/54/85/557785485.db2.gz SRYZZAGIMVRZOC-UHFFFAOYSA-N 0 0 425.530 1.679 50 0 IDAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000227047099 557811508 /nfs/dbraw/zinc/81/15/08/557811508.db2.gz CBFVFKZESBYWGA-YGTYGHESSA-N 0 0 434.290 1.322 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850882 557830855 /nfs/dbraw/zinc/83/08/55/557830855.db2.gz JSUGBGWTSFJOGI-KRWDZBQOSA-N 0 0 435.484 1.784 50 0 biogenic IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](Cn4ccnn4)C3)cc2)C[C@@H](C)O1 ZINC000229972981 557834539 /nfs/dbraw/zinc/83/45/39/557834539.db2.gz YNHHHLZSARFIDF-KZNAEPCWSA-N 0 0 447.561 1.628 50 0 IDAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCC[NH+]1CCC(C)CC1)c2=O ZINC000012415794 557835598 /nfs/dbraw/zinc/83/55/98/557835598.db2.gz UWWJTWFQXMJSRN-UHFFFAOYSA-N 0 0 432.546 1.710 50 0 IDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000239231198 557843302 /nfs/dbraw/zinc/84/33/02/557843302.db2.gz VCIRVTJQPNZIIS-QZNHQWIBSA-N 0 0 439.342 1.971 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](N2CCc3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000239403329 557844540 /nfs/dbraw/zinc/84/45/40/557844540.db2.gz RTRYJIOTUZUULJ-ITBHCLRTSA-N 0 0 449.456 1.132 50 0 IDAARN Cn1nnnc1SCCC(=O)Nc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C ZINC000241231191 557846235 /nfs/dbraw/zinc/84/62/35/557846235.db2.gz KSXOFUQHMYFUAN-UHFFFAOYSA-N 0 0 449.537 1.586 50 0 IDAARN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCN(CC(F)F)CC1 ZINC000241466179 557846676 /nfs/dbraw/zinc/84/66/76/557846676.db2.gz NVHDCBLNIQGDPH-AWEZNQCLSA-N 0 0 437.896 1.139 50 0 IDAARN C[C@@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)N1C(=O)c2ccccc2C1=O ZINC000018764656 557856822 /nfs/dbraw/zinc/85/68/22/557856822.db2.gz FDHCCEMIZGOBHX-KGLIPLIRSA-N 0 0 435.436 1.978 50 0 IDAARN CC(=O)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000003843099 560190291 /nfs/dbraw/zinc/19/02/91/560190291.db2.gz XDMACMMTPGFUCZ-YMQHIKHWSA-N 0 0 438.429 1.286 50 0 in-vitro IDAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1 ZINC000000953326 562919811 /nfs/dbraw/zinc/91/98/11/562919811.db2.gz RVTRMQCELGOSMW-GDBMZVCRSA-N 0 0 425.507 1.561 50 0 IDAARN Cc1cc(C)nc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000001311807 562921218 /nfs/dbraw/zinc/92/12/18/562921218.db2.gz BNULIJUNCUMUHK-UHFFFAOYSA-N 0 0 443.577 1.869 50 0 IDAARN Cc1nnc(SCCn2c(N3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 ZINC000001899369 562925284 /nfs/dbraw/zinc/92/52/84/562925284.db2.gz QHVSFWPACQAEFF-QWRGUYRKSA-N 0 0 435.579 1.858 50 0 IDAARN CN1CCc2c3ccccc3n(C[C@@H](O)CN3C(=O)c4ccccc4S3(=O)=O)c2C1=O ZINC000002201108 562926245 /nfs/dbraw/zinc/92/62/45/562926245.db2.gz JGQUYGWGZVKDTB-CQSZACIVSA-N 0 0 439.493 1.475 50 0 IDAARN C[C@@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000002220285 562926432 /nfs/dbraw/zinc/92/64/32/562926432.db2.gz AJQZTAKQBATWLI-VXGBXAGGSA-N 0 0 435.887 1.888 50 0 IDAARN COc1ccc(C(=O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000002376731 562927182 /nfs/dbraw/zinc/92/71/82/562927182.db2.gz QWRZELQEPUGJSO-UHFFFAOYSA-N 0 0 441.488 1.324 50 0 IDAARN CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000002618319 562928502 /nfs/dbraw/zinc/92/85/02/562928502.db2.gz RSBOIRZRNUJSKP-UHFFFAOYSA-N 0 0 431.536 1.316 50 0 IDAARN C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000002641406 562929083 /nfs/dbraw/zinc/92/90/83/562929083.db2.gz UPFYAAFZCMDTTL-NSHDSACASA-N 0 0 440.319 1.531 50 0 IDAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)c(OC)c1 ZINC000002933169 562930708 /nfs/dbraw/zinc/93/07/08/562930708.db2.gz LIIPBPAHUCFSPD-UHFFFAOYSA-N 0 0 425.551 1.763 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000003128691 562932525 /nfs/dbraw/zinc/93/25/25/562932525.db2.gz CSEZXGWZPOZYTJ-LBPRGKRZSA-N 0 0 439.353 1.138 50 0 IDAARN C[C@@H]1CN(C(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C[C@@H](C)O1 ZINC000003261172 562933491 /nfs/dbraw/zinc/93/34/91/562933491.db2.gz LGILDKOVBIQHAN-RKDXNWHRSA-N 0 0 425.290 1.433 50 0 IDAARN CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000003279089 562933588 /nfs/dbraw/zinc/93/35/88/562933588.db2.gz YCJGIPYDDWNZFM-UHFFFAOYSA-N 0 0 447.479 1.797 50 0 IDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(C(=S)NCc2ccccc2)CC1 ZINC000003311265 562934062 /nfs/dbraw/zinc/93/40/62/562934062.db2.gz JNYQLOBYHFHGHW-UHFFFAOYSA-N 0 0 433.555 1.839 50 0 IDAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000003330284 562934291 /nfs/dbraw/zinc/93/42/91/562934291.db2.gz VCSAHYUQFGEQCF-UHFFFAOYSA-N 0 0 449.510 1.336 50 0 IDAARN CC(C)CNC(=O)NC(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003367067 562934908 /nfs/dbraw/zinc/93/49/08/562934908.db2.gz DJVYSQKNDRPJJQ-QRWLVFNGSA-N 0 0 437.493 1.741 50 0 IDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000003374366 562934956 /nfs/dbraw/zinc/93/49/56/562934956.db2.gz CBQGPXLCRKCKJO-UHFFFAOYSA-N 0 0 449.261 1.365 50 0 IDAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003390094 562935091 /nfs/dbraw/zinc/93/50/91/562935091.db2.gz PWHCFZNILYNIPP-UHFFFAOYSA-N 0 0 448.545 1.164 50 0 IDAARN COc1ccc(C(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1OC ZINC000003450919 562936016 /nfs/dbraw/zinc/93/60/16/562936016.db2.gz OEBVXVHTOFATFL-UHFFFAOYSA-N 0 0 432.454 1.559 50 0 IDAARN CNC(=O)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1 ZINC000003454629 562936057 /nfs/dbraw/zinc/93/60/57/562936057.db2.gz UHMPPOFGIJJCEV-UHFFFAOYSA-N 0 0 426.454 1.720 50 0 IDAARN COc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000003506876 562936353 /nfs/dbraw/zinc/93/63/53/562936353.db2.gz LJYQUQBBOGFPDE-UHFFFAOYSA-N 0 0 432.498 1.951 50 0 IDAARN COc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000003501671 562936359 /nfs/dbraw/zinc/93/63/59/562936359.db2.gz GEPRHKZUNGPEHH-UHFFFAOYSA-N 0 0 442.457 1.883 50 0 IDAARN Cn1nc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ccccc2c1=O ZINC000003557286 562936427 /nfs/dbraw/zinc/93/64/27/562936427.db2.gz QAPVZNXJIOCSII-LFIBNONCSA-N 0 0 438.509 1.692 50 0 IDAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC[C@@H]3CCCO3)c3ccccc3c2=O)cc1 ZINC000004077743 562941556 /nfs/dbraw/zinc/94/15/56/562941556.db2.gz NPOASVOGBQCCED-KRWDZBQOSA-N 0 0 436.468 1.419 50 0 IDAARN COc1cccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)c1 ZINC000004111719 562942121 /nfs/dbraw/zinc/94/21/21/562942121.db2.gz NDWUDPBTVDMKOW-LJQANCHMSA-N 0 0 429.498 1.334 50 0 IDAARN NC(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccccc2)c1=O ZINC000004176408 562942545 /nfs/dbraw/zinc/94/25/45/562942545.db2.gz DWJSZCBRGZBYRI-UHFFFAOYSA-N 0 0 428.514 1.587 50 0 IDAARN Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc3n(c(=O)c12)CCCC3 ZINC000008588316 562950656 /nfs/dbraw/zinc/95/06/56/562950656.db2.gz HDCYHJYLXZGNGC-UHFFFAOYSA-N 0 0 446.554 1.723 50 0 IDAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCCc1ccccc1 ZINC000008598624 562954358 /nfs/dbraw/zinc/95/43/58/562954358.db2.gz BHGQPVMWEFIEAF-IBGZPJMESA-N 0 0 431.514 1.793 50 0 IDAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000008599056 562954578 /nfs/dbraw/zinc/95/45/78/562954578.db2.gz IHDLRNPIBDBKIQ-UHFFFAOYSA-N 0 0 444.513 1.059 50 0 IDAARN CC1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000008601244 562955240 /nfs/dbraw/zinc/95/52/40/562955240.db2.gz POOCUQZGKUTBDX-IBGZPJMESA-N 0 0 428.576 1.756 50 0 IDAARN O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008601576 562955407 /nfs/dbraw/zinc/95/54/07/562955407.db2.gz RXISKXLDEJHVKE-KRWDZBQOSA-N 0 0 429.498 1.243 50 0 IDAARN CNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(=O)N3CCCC3)c2=O)CC1 ZINC000008605716 562956806 /nfs/dbraw/zinc/95/68/06/562956806.db2.gz KBDPTEUKDHEGAV-UHFFFAOYSA-N 0 0 432.546 1.400 50 0 IDAARN COc1cccc(CNC(=O)Cn2c3ccc(S(=O)(=O)N4CCCC4)cc3oc2=O)c1 ZINC000008614276 562959563 /nfs/dbraw/zinc/95/95/63/562959563.db2.gz SRNDKFLQZPJMEA-UHFFFAOYSA-N 0 0 445.497 1.704 50 0 IDAARN O=C(COC(=O)CCS(=O)(=O)c1ccccc1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000008638897 562960125 /nfs/dbraw/zinc/96/01/25/562960125.db2.gz OVSJYLVSPGZRJA-UHFFFAOYSA-N 0 0 441.408 1.952 50 0 IDAARN C[C@@]1(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCS(=O)(=O)C1 ZINC000008670713 562960734 /nfs/dbraw/zinc/96/07/34/562960734.db2.gz 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IDAARN COc1ccccc1C(c1c(N)[nH]c(N(C)C)nc1=O)c1c(N)[nH]c(N(C)C)nc1=O ZINC000253536213 568643101 /nfs/dbraw/zinc/64/31/01/568643101.db2.gz JUBUAGGLLPOOMX-UHFFFAOYSA-N 0 0 426.481 1.163 50 0 IDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3cnn(C)c3)CC2)c1 ZINC000025305134 568650984 /nfs/dbraw/zinc/65/09/84/568650984.db2.gz ZSLWTRLUANSKRP-UHFFFAOYSA-N 0 0 433.534 1.289 50 0 IDAARN Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000031593780 568740647 /nfs/dbraw/zinc/74/06/47/568740647.db2.gz OVUFJGIUGMITOM-SJLPKXTDSA-N 0 0 446.529 1.538 50 0 IDAARN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000031593767 568740723 /nfs/dbraw/zinc/74/07/23/568740723.db2.gz OVUFJGIUGMITOM-WMZOPIPTSA-N 0 0 446.529 1.538 50 0 IDAARN CCCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000019134606 568744991 /nfs/dbraw/zinc/74/49/91/568744991.db2.gz RUYJDMNVKSJSHA-UHFFFAOYSA-N 0 0 443.551 1.361 50 0 IDAARN Cc1cc(=NC(=O)COc2ccc(OC(F)(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334157955 568750819 /nfs/dbraw/zinc/75/08/19/568750819.db2.gz AQDYWYFUCXLBRT-LBPRGKRZSA-N 0 0 433.408 1.889 50 0 IDAARN Cc1cc(=NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159274 568751058 /nfs/dbraw/zinc/75/10/58/568751058.db2.gz QDALOYIDZCKJJR-KRWDZBQOSA-N 0 0 432.550 1.235 50 0 IDAARN Cc1cc(=NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159188 568751153 /nfs/dbraw/zinc/75/11/53/568751153.db2.gz YNFWOIBVTLKARN-GOSISDBHSA-N 0 0 427.530 1.957 50 0 IDAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000003593680 568751384 /nfs/dbraw/zinc/75/13/84/568751384.db2.gz STADJFLLGCQLTG-NRFANRHFSA-N 0 0 444.875 1.685 50 0 IDAARN COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CCN(Cc1cnn(C)c1)CC2 ZINC000299758591 568755564 /nfs/dbraw/zinc/75/55/64/568755564.db2.gz JSOLBRPQDYCTHB-UHFFFAOYSA-N 0 0 427.530 1.640 50 0 IDAARN COc1ccc(CN2CCc3c(C(=O)N4CCN(C)CC4)c(OC)cc(=O)n3CC2)cc1 ZINC000299759777 568755762 /nfs/dbraw/zinc/75/57/62/568755762.db2.gz NFUFRWVCGZIVOI-UHFFFAOYSA-N 0 0 440.544 1.311 50 0 IDAARN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccc(C(N)=O)cc1 ZINC000059010207 568760050 /nfs/dbraw/zinc/76/00/50/568760050.db2.gz DQQGHHKIGKYUAZ-SFHVURJKSA-N 0 0 442.468 1.871 50 0 IDAARN Cc1cccc(C(=O)N2CCCN(C(=O)CNC(=O)c3cnc4ccccc4c3O)CC2)c1 ZINC000078597021 568762185 /nfs/dbraw/zinc/76/21/85/568762185.db2.gz BQMSLKXNXDRWGG-UHFFFAOYSA-N 0 0 446.507 1.941 50 0 IDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)s2)cc1 ZINC000015441475 568762336 /nfs/dbraw/zinc/76/23/36/568762336.db2.gz OXWAPDVMFOGZLF-UHFFFAOYSA-N 0 0 428.495 1.529 50 0 IDAARN COc1cccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c1OC(C)=O ZINC000001259742 568775199 /nfs/dbraw/zinc/77/51/99/568775199.db2.gz RHWIOKSFSVKWMH-PDGQHHTCSA-N 0 0 435.461 1.584 50 0 IDAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)N[C@@H]4CCS(=O)(=O)C4)ccc3c2=O)c1 ZINC000032072346 568776512 /nfs/dbraw/zinc/77/65/12/568776512.db2.gz YESHSYKJRBXJQP-CQSZACIVSA-N 0 0 443.481 1.320 50 0 IDAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)c3CO2)cc1 ZINC000263617314 568777048 /nfs/dbraw/zinc/77/70/48/568777048.db2.gz NDIMPJXGSXMBMS-IBGZPJMESA-N 0 0 441.513 1.478 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 ZINC000263617890 568777458 /nfs/dbraw/zinc/77/74/58/568777458.db2.gz QFLCEAKLDSQZJX-SFHVURJKSA-N 0 0 429.477 1.909 50 0 IDAARN CCOC(=O)CN1c2ccccc2[C@@]2(C1=O)C(C(=O)OC)=C(C)OC(N)=C2C(=O)OCC ZINC000001322832 568780296 /nfs/dbraw/zinc/78/02/96/568780296.db2.gz RNNJVLPCVHVSMJ-JOCHJYFZSA-N 0 0 444.440 1.045 50 0 biogenic IDAARN CCc1cccc(C)c1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000083827671 568782628 /nfs/dbraw/zinc/78/26/28/568782628.db2.gz VPGYPKMVVWHWBJ-INIZCTEOSA-N 0 0 429.564 1.224 50 0 IDAARN COc1ccc(-c2nnc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)[nH]2)cc1 ZINC000083950115 568786652 /nfs/dbraw/zinc/78/66/52/568786652.db2.gz RYYXWNLILZYTLC-MPGHIAIKSA-N 0 0 430.534 1.822 50 0 IDAARN CCCN(CC(=O)OCC)C(=O)CNC(=O)c1ccccc1I ZINC000084755145 568801095 /nfs/dbraw/zinc/80/10/95/568801095.db2.gz VEWSTYWRNBLFST-UHFFFAOYSA-N 0 0 432.258 1.823 50 0 IDAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCOCC4)nc(C)n3n2)cc1 ZINC000015672109 568803210 /nfs/dbraw/zinc/80/32/10/568803210.db2.gz UXZOZRYOFHMNLZ-UHFFFAOYSA-N 0 0 438.532 1.267 50 0 IDAARN CN1C(C(=O)NCc2ccc3c(c2)OCO3)=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O ZINC000015673576 568803582 /nfs/dbraw/zinc/80/35/82/568803582.db2.gz KTSVKWVTKGUKJX-UHFFFAOYSA-N 0 0 443.437 1.324 50 0 IDAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)Nc1cccnc1 ZINC000015678543 568805137 /nfs/dbraw/zinc/80/51/37/568805137.db2.gz VGHPTSVAOFPZQO-UHFFFAOYSA-N 0 0 432.527 1.944 50 0 IDAARN C[C@]1(C(=O)NCc2ccc(F)cc2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1C1CC1 ZINC000015680263 568806052 /nfs/dbraw/zinc/80/60/52/568806052.db2.gz HPFZQUZOLMAEHB-JOCHJYFZSA-N 0 0 445.516 1.896 50 0 IDAARN CCc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NCc2ccccc2)c1 ZINC000015680254 568806114 /nfs/dbraw/zinc/80/61/14/568806114.db2.gz HXWNBLJIHKEYKO-QFIPXVFZSA-N 0 0 429.542 1.932 50 0 IDAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCN=C3N3CCN(CC)CC3)cc2c1C ZINC000015730017 568814482 /nfs/dbraw/zinc/81/44/82/568814482.db2.gz ADQHTSWQLNGULT-UHFFFAOYSA-N 0 0 448.545 1.916 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 ZINC000015732741 568815512 /nfs/dbraw/zinc/81/55/12/568815512.db2.gz XRMXQONYTLBBSJ-UHFFFAOYSA-N 0 0 429.458 1.417 50 0 IDAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCN(c4ccccc4)CC3)cn2)CC1 ZINC000015767012 568821462 /nfs/dbraw/zinc/82/14/62/568821462.db2.gz YZQJLVIEBNWWER-UHFFFAOYSA-N 0 0 431.562 1.653 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCc1ccc(C)o1 ZINC000015775556 568823409 /nfs/dbraw/zinc/82/34/09/568823409.db2.gz OZCJBOXFVYJDSH-HXUWFJFHSA-N 0 0 431.514 1.967 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCc1ccccn1 ZINC000015775494 568823428 /nfs/dbraw/zinc/82/34/28/568823428.db2.gz GQRUZQYTJWSESE-FQEVSTJZSA-N 0 0 428.514 1.460 50 0 IDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCc1ccc(C)o1 ZINC000015775558 568823442 /nfs/dbraw/zinc/82/34/42/568823442.db2.gz OZCJBOXFVYJDSH-FQEVSTJZSA-N 0 0 431.514 1.967 50 0 IDAARN O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)NCCN1CCOCC1 ZINC000015776374 568823840 /nfs/dbraw/zinc/82/38/40/568823840.db2.gz LSSVLNQTRXHOTA-UHFFFAOYSA-N 0 0 427.484 1.257 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000085648393 568830539 /nfs/dbraw/zinc/83/05/39/568830539.db2.gz GDXLOLYBSSLEJX-UHFFFAOYSA-N 0 0 445.501 1.872 50 0 IDAARN Cc1ccnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)C2)c1 ZINC000085650972 568831613 /nfs/dbraw/zinc/83/16/13/568831613.db2.gz DXDJSUXYKKGNMX-INIZCTEOSA-N 0 0 445.545 1.994 50 0 IDAARN O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000026096760 568839168 /nfs/dbraw/zinc/83/91/68/568839168.db2.gz ZUEADKODKGGDGG-HXUWFJFHSA-N 0 0 440.529 1.426 50 0 IDAARN COc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1 ZINC000015842500 568844681 /nfs/dbraw/zinc/84/46/81/568844681.db2.gz DTQRSOJMKGUTTF-UHFFFAOYSA-N 0 0 429.498 1.724 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)NC(N)=O)n2CC ZINC000006153637 568847503 /nfs/dbraw/zinc/84/75/03/568847503.db2.gz NTHGSGWJOLZTJE-LLVKDONJSA-N 0 0 427.552 1.762 50 0 IDAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC000015866017 568850724 /nfs/dbraw/zinc/85/07/24/568850724.db2.gz PRYGVKSZUAUZEM-OAHLLOKOSA-N 0 0 425.551 1.981 50 0 IDAARN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(ncc(C)c3OC)n(C)c2=O)cc1 ZINC000015880291 568853837 /nfs/dbraw/zinc/85/38/37/568853837.db2.gz CZXYAOJQMCRPCI-UHFFFAOYSA-N 0 0 426.429 1.228 50 0 IDAARN O=C(CSc1nc2c(cnn2CCO)c(=O)[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000015881230 568855203 /nfs/dbraw/zinc/85/52/03/568855203.db2.gz KEMYPXMSEDCHAS-UHFFFAOYSA-N 0 0 429.380 1.741 50 0 IDAARN COc1ccc(OCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000015881650 568855839 /nfs/dbraw/zinc/85/58/39/568855839.db2.gz LUOYIBRPFSNKQR-UHFFFAOYSA-N 0 0 447.557 1.505 50 0 IDAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1nnc(CC)s1 ZINC000015883435 568857572 /nfs/dbraw/zinc/85/75/72/568857572.db2.gz HHVYCHJWALMDQE-UHFFFAOYSA-N 0 0 434.547 1.729 50 0 IDAARN O=S(=O)(c1cccs1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000015884211 568858077 /nfs/dbraw/zinc/85/80/77/568858077.db2.gz PKZQVCZDNFJTJY-UHFFFAOYSA-N 0 0 441.542 1.842 50 0 IDAARN CCc1ccc2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959173 568860282 /nfs/dbraw/zinc/86/02/82/568860282.db2.gz WZMLRSVHAXQUKU-HFGJUZKKSA-N 0 0 433.508 1.593 50 0 biogenic IDAARN CCc1ccc2c(c1)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968079 568861259 /nfs/dbraw/zinc/86/12/59/568861259.db2.gz QYGAWXRFFNIKCQ-MASGSYHESA-N 0 0 446.507 1.088 50 0 biogenic IDAARN Cn1ccc2ccn(CCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)c21 ZINC000575414979 568862629 /nfs/dbraw/zinc/86/26/29/568862629.db2.gz VPCGDWBPDWIXHW-UHFFFAOYSA-N 0 0 428.514 1.555 50 0 IDAARN COc1ccc(N2C[C@@H](C(=O)N[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000016020404 568862940 /nfs/dbraw/zinc/86/29/40/568862940.db2.gz NOKJVMXWDMWPBJ-ZBFHGGJFSA-N 0 0 439.468 1.598 50 0 IDAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000012941959 568870118 /nfs/dbraw/zinc/87/01/18/568870118.db2.gz VKJUPXBLLCXIOD-UHFFFAOYSA-N 0 0 428.470 1.594 50 0 IDAARN O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000012952169 568872130 /nfs/dbraw/zinc/87/21/30/568872130.db2.gz ZGPCPCUFNFDJOX-UHFFFAOYSA-N 0 0 440.450 1.749 50 0 IDAARN CN(C)c1nc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(N2CCCCC2)n1 ZINC000575605413 568877991 /nfs/dbraw/zinc/87/79/91/568877991.db2.gz AFEOVSZMJFHJFB-UHFFFAOYSA-N 0 0 447.565 1.108 50 0 IDAARN Cc1nnc2c(N3CC[C@H](NC(=O)[C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)C3)nccn12 ZINC000575608403 568878426 /nfs/dbraw/zinc/87/84/26/568878426.db2.gz SLDYDUVHKWUFBX-ROUUACIJSA-N 0 0 433.516 1.798 50 0 IDAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCN1c2cc(F)ccc2N(C)S1(=O)=O ZINC000575612427 568879464 /nfs/dbraw/zinc/87/94/64/568879464.db2.gz MJRHKIFNHBOTAJ-UHFFFAOYSA-N 0 0 445.542 1.699 50 0 IDAARN COc1ccc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1C(N)=O ZINC000575613839 568879794 /nfs/dbraw/zinc/87/97/94/568879794.db2.gz WHUCGXRICNJNIP-NRFANRHFSA-N 0 0 434.514 1.387 50 0 IDAARN Cc1nc(-c2ccc(S(=O)(=O)NC3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)co1 ZINC000575617775 568881826 /nfs/dbraw/zinc/88/18/26/568881826.db2.gz WSKJSAFJZDCDMC-QGZVFWFLSA-N 0 0 439.559 1.580 50 0 IDAARN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)Cc3ccccc32)cn1 ZINC000575618169 568882165 /nfs/dbraw/zinc/88/21/65/568882165.db2.gz DYAWDAKJXYWQKH-FQEVSTJZSA-N 0 0 426.498 1.621 50 0 IDAARN O=C(c1ccc(=O)n(Cc2ccc(F)cc2)n1)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575620166 568883026 /nfs/dbraw/zinc/88/30/26/568883026.db2.gz OGDNASGMGQVBAS-UHFFFAOYSA-N 0 0 434.475 1.672 50 0 IDAARN Cn1nccc1-c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 ZINC000575622512 568883229 /nfs/dbraw/zinc/88/32/29/568883229.db2.gz ZHKUAHQCIOJBGW-UHFFFAOYSA-N 0 0 441.513 1.433 50 0 IDAARN CCOC(=O)c1nn(CCC(C)=O)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000226972915 568885549 /nfs/dbraw/zinc/88/55/49/568885549.db2.gz XSIBGWBWCQDLDE-DZGCQCFKSA-N 0 0 436.262 1.521 50 0 IDAARN COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccccn4)n(C)c3=O)[nH]n2)c1 ZINC000090591005 568888455 /nfs/dbraw/zinc/88/84/55/568888455.db2.gz SZFTVBRIIVGLQU-UHFFFAOYSA-N 0 0 449.471 1.481 50 0 IDAARN COc1ccc(S(=O)(=O)NCCNc2ccc(-n3cccc3)nn2)c(OC)c1OC ZINC000090607792 568890126 /nfs/dbraw/zinc/89/01/26/568890126.db2.gz XRCKVGMSVUFUKV-UHFFFAOYSA-N 0 0 433.490 1.684 50 0 IDAARN O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012977490 568891204 /nfs/dbraw/zinc/89/12/04/568891204.db2.gz FOYLJVDNGAXTPQ-KRWDZBQOSA-N 0 0 435.452 1.924 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)CC1 ZINC000090610189 568892003 /nfs/dbraw/zinc/89/20/03/568892003.db2.gz CMJOHEZYASBLPI-UHFFFAOYSA-N 0 0 434.880 1.390 50 0 IDAARN CCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000018028689 568894473 /nfs/dbraw/zinc/89/44/73/568894473.db2.gz UCZSTRCNVXWRFI-IYBDPMFKSA-N 0 0 435.546 1.577 50 0 IDAARN O=C(CNC(=O)c1ccc(Br)o1)NCc1ccccc1CN1CCOCC1 ZINC000018214152 568894491 /nfs/dbraw/zinc/89/44/91/568894491.db2.gz ITOXTPMEIREMMX-UHFFFAOYSA-N 0 0 436.306 1.921 50 0 IDAARN O=C(c1ccco1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000012982506 568894814 /nfs/dbraw/zinc/89/48/14/568894814.db2.gz WVLRJDPYVKYITF-UHFFFAOYSA-N 0 0 449.504 1.804 50 0 IDAARN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012984084 568895420 /nfs/dbraw/zinc/89/54/20/568895420.db2.gz FYOUJMWWDWDTSH-CHWSQXEVSA-N 0 0 449.460 1.396 50 0 IDAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCCc1csc(-n2cccn2)n1 ZINC000090703369 568896766 /nfs/dbraw/zinc/89/67/66/568896766.db2.gz QLBUHNCSUYAZCG-ZDUSSCGKSA-N 0 0 428.543 1.770 50 0 IDAARN O=C(NCCN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)c1ccco1 ZINC000013010741 568900168 /nfs/dbraw/zinc/90/01/68/568900168.db2.gz XRIKTNXNTDKHSE-UHFFFAOYSA-N 0 0 447.435 1.915 50 0 IDAARN COc1cc([C@@H](CC(=O)NCC(=O)NCC(C)C)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729169 568903516 /nfs/dbraw/zinc/90/35/16/568903516.db2.gz GWUHZAOLUQLLMO-OAHLLOKOSA-N 0 0 432.473 1.778 50 0 biogenic IDAARN CN(C)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000253394186 568903545 /nfs/dbraw/zinc/90/35/45/568903545.db2.gz AAFLTTCPBLUCHP-INIZCTEOSA-N 0 0 432.502 1.052 50 0 IDAARN Cn1c2nc(N3CCc4ccccc4C3)n(CCCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000006444845 568907315 /nfs/dbraw/zinc/90/73/15/568907315.db2.gz NOKYUWJOKOMNFK-UHFFFAOYSA-N 0 0 449.540 1.958 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(CC(=O)c2ccc(F)cc2)c(=O)n3C)n1C[C@@H]1CCCO1 ZINC000006444629 568907323 /nfs/dbraw/zinc/90/73/23/568907323.db2.gz CKWUAJRHTHOOCQ-INIZCTEOSA-N 0 0 439.447 1.659 50 0 IDAARN O=C1[C@@H]2[C@H]3[C@@H]([C@@H]2C(=O)N1c1ccccn1)[C@H]1C=C[C@@H]3[C@H]2C(=O)N(c3ccccn3)C(=O)[C@H]21 ZINC000240128354 568911849 /nfs/dbraw/zinc/91/18/49/568911849.db2.gz IQFRIXZUBQWFGI-WXQDPKCISA-N 0 0 426.432 1.450 50 0 IDAARN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)C1 ZINC000242273617 568912582 /nfs/dbraw/zinc/91/25/82/568912582.db2.gz YEMAYIHNZSUGJE-NJDAHSKKSA-N 0 0 447.601 1.235 50 0 IDAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccccc1C ZINC000245225739 568912939 /nfs/dbraw/zinc/91/29/39/568912939.db2.gz KJHQVFWBNCVROC-XDWAVFMPSA-N 0 0 437.445 1.030 50 0 IDAARN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)c(OC)c1OC ZINC000245247803 568913454 /nfs/dbraw/zinc/91/34/54/568913454.db2.gz XSGQSKZQZXDUJQ-QZWWFDLISA-N 0 0 426.425 1.616 50 0 IDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1ccccc1F ZINC000001868193 568916967 /nfs/dbraw/zinc/91/69/67/568916967.db2.gz IQLSZVMLAQTHNX-IBGZPJMESA-N 0 0 448.332 1.805 50 0 IDAARN CC1(C)[C@@]2(C(=O)N3CCN(C(=O)[C@@]45CC[C@@](C)(C(=O)O4)C5(C)C)CC3)CC[C@]1(C)C(=O)O2 ZINC000002137534 568924983 /nfs/dbraw/zinc/92/49/83/568924983.db2.gz LHLRTIIKMVJLPU-NVPYSNMXSA-N 0 0 446.544 1.901 50 0 biogenic IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000016638883 568927561 /nfs/dbraw/zinc/92/75/61/568927561.db2.gz DKQRYQLCAYUWLZ-KRWDZBQOSA-N 0 0 433.534 1.436 50 0 IDAARN Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NC[C@H]1CCCO1)C2 ZINC000064565626 568932543 /nfs/dbraw/zinc/93/25/43/568932543.db2.gz PMAQNDXEDPAQLA-QGZVFWFLSA-N 0 0 439.516 1.633 50 0 IDAARN COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C(=O)[O-])c2)cc1OC ZINC000064580542 568934404 /nfs/dbraw/zinc/93/44/04/568934404.db2.gz KCMRETGZUXGQET-UHFFFAOYSA-N 0 0 435.502 1.955 50 0 IDAARN CC1CCN(C(=O)COc2coc(CN3CCN(C(=O)c4ccco4)CC3)cc2=O)CC1 ZINC000016689917 568938360 /nfs/dbraw/zinc/93/83/60/568938360.db2.gz JHDHZLOQJUMLNM-UHFFFAOYSA-N 0 0 443.500 1.828 50 0 IDAARN COc1cc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(OC)c1OC ZINC000016689894 568938368 /nfs/dbraw/zinc/93/83/68/568938368.db2.gz HPWYJAOCIQTYOX-UHFFFAOYSA-N 0 0 443.504 1.301 50 0 IDAARN O=C(NC[C@H]1CCCO1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085173 568947805 /nfs/dbraw/zinc/94/78/05/568947805.db2.gz BJBKWRMQFBCJAL-OAHLLOKOSA-N 0 0 442.422 1.630 50 0 IDAARN O=C(NC[C@H]1CCCO1)c1nn(-c2ccc(F)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085501 568948041 /nfs/dbraw/zinc/94/80/41/568948041.db2.gz XGTGBXTZTMZJJO-QGZVFWFLSA-N 0 0 442.422 1.630 50 0 IDAARN Cc1ccc(-n2nc(C(=O)N3CCOCC3)c(=O)n(Cc3ccccc3F)c2=O)cc1C ZINC000036086285 568948690 /nfs/dbraw/zinc/94/86/90/568948690.db2.gz ZMAMPYIMSHUXTA-UHFFFAOYSA-N 0 0 438.459 1.671 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036086571 568948966 /nfs/dbraw/zinc/94/89/66/568948966.db2.gz CGJVKSVCISGVNZ-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN Cc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086578 568949060 /nfs/dbraw/zinc/94/90/60/568949060.db2.gz HSOMUZSZLNVGEL-GOSISDBHSA-N 0 0 438.459 1.799 50 0 IDAARN COCCCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036086864 568949156 /nfs/dbraw/zinc/94/91/56/568949156.db2.gz SCDLGZHUBOGBAK-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN COCCCNC(=O)c1nn(-c2cccc(C)c2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036086834 568949179 /nfs/dbraw/zinc/94/91/79/568949179.db2.gz OZGNVRMURLWCHX-UHFFFAOYSA-N 0 0 426.448 1.656 50 0 IDAARN Cc1ccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3cccc(C)c3)c2=O)cc1 ZINC000036086948 568949232 /nfs/dbraw/zinc/94/92/32/568949232.db2.gz UZLGAHGEQMRZIM-FQEVSTJZSA-N 0 0 434.496 1.968 50 0 IDAARN Cc1cccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086870 568949242 /nfs/dbraw/zinc/94/92/42/568949242.db2.gz SNKULRQNDBGEMT-SFHVURJKSA-N 0 0 438.459 1.799 50 0 IDAARN Cc1cccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087014 568949357 /nfs/dbraw/zinc/94/93/57/568949357.db2.gz PKVHPTYJMXDDRS-FQEVSTJZSA-N 0 0 434.496 1.968 50 0 IDAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3cccc(C)c3)c2=O)c1 ZINC000036086970 568949381 /nfs/dbraw/zinc/94/93/81/568949381.db2.gz KDAVYEQHZPUTOX-HXUWFJFHSA-N 0 0 434.496 1.968 50 0 IDAARN COCCCNC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2ccc(C)cc2)c1=O ZINC000036088795 568949836 /nfs/dbraw/zinc/94/98/36/568949836.db2.gz ILVTUYRDHFGXCM-UHFFFAOYSA-N 0 0 440.475 1.965 50 0 IDAARN COCCNC(=O)c1nn(-c2ccc(C)c(F)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036088840 568949873 /nfs/dbraw/zinc/94/98/73/568949873.db2.gz UXVJVOFVNHXIJX-UHFFFAOYSA-N 0 0 426.448 1.575 50 0 IDAARN CCCNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)n(Cc2ccccc2C)c1=O ZINC000036088237 568950206 /nfs/dbraw/zinc/95/02/06/568950206.db2.gz HXRROBUNLGWODQ-UHFFFAOYSA-N 0 0 438.484 1.908 50 0 IDAARN COc1ccc(-n2nc(C(=O)NC(C)C)c(=O)n(Cc3ccccc3C)c2=O)cc1OC ZINC000036088230 568950259 /nfs/dbraw/zinc/95/02/59/568950259.db2.gz ZGNKETBEKWDZCY-UHFFFAOYSA-N 0 0 438.484 1.906 50 0 IDAARN COCCCNC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2ccccc2F)c1=O ZINC000036093978 568950754 /nfs/dbraw/zinc/95/07/54/568950754.db2.gz WUPAYBNZFLYUTR-UHFFFAOYSA-N 0 0 440.475 1.965 50 0 IDAARN COCCNC(=O)c1nn(-c2cc(C)cc(C)c2)c(=O)n(Cc2cccc(OC)c2)c1=O ZINC000036094084 568950876 /nfs/dbraw/zinc/95/08/76/568950876.db2.gz LJUBMKDNVVMMBV-UHFFFAOYSA-N 0 0 438.484 1.444 50 0 IDAARN CC[C@@H](C(=O)N1CCN(c2ncccn2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776126 568955084 /nfs/dbraw/zinc/95/50/84/568955084.db2.gz DGHGZQNOMOUKIN-SFHVURJKSA-N 0 0 431.500 1.978 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccc2OC)cn1C ZINC000064818962 568965568 /nfs/dbraw/zinc/96/55/68/568965568.db2.gz VRXKZLTWCYDORA-INIZCTEOSA-N 0 0 435.502 1.290 50 0 IDAARN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(C)=O)c2)cn1C ZINC000064818953 568965601 /nfs/dbraw/zinc/96/56/01/568965601.db2.gz GSTIRTYGEMBDNV-KRWDZBQOSA-N 0 0 433.486 1.806 50 0 IDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2cccs2)cn1C ZINC000064819032 568965814 /nfs/dbraw/zinc/96/58/14/568965814.db2.gz SXUUCZOBBORRED-HNNXBMFYSA-N 0 0 425.532 1.733 50 0 IDAARN COCC(=O)N1CCC([C@H](NC(=O)c2cccc(C)c2)C(=O)NCc2ccco2)CC1 ZINC000036211909 568975629 /nfs/dbraw/zinc/97/56/29/568975629.db2.gz NPDKMPRSHKEDKN-NRFANRHFSA-N 0 0 427.501 1.888 50 0 IDAARN COCC(=O)N1CCC([C@@H](NC(=O)c2cccc(OC)c2)C(=O)N2CCCCC2)CC1 ZINC000036210901 568976960 /nfs/dbraw/zinc/97/69/60/568976960.db2.gz BUKQWTNGDPDIPK-OAQYLSRUSA-N 0 0 431.533 1.691 50 0 IDAARN COCC(=O)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCCCC2)CC1 ZINC000036211326 568977087 /nfs/dbraw/zinc/97/70/87/568977087.db2.gz BIEZQHSWPMEIMA-OAQYLSRUSA-N 0 0 445.516 1.411 50 0 IDAARN CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2C)C(=O)NCCCOC)CC1 ZINC000036214481 568977264 /nfs/dbraw/zinc/97/72/64/568977264.db2.gz BJKFZTJLWSXXKB-IBGZPJMESA-N 0 0 434.606 1.853 50 0 IDAARN COc1ccc(OC)c(NC(=O)Cn2c3nccnc3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000064874322 568978586 /nfs/dbraw/zinc/97/85/86/568978586.db2.gz APDZYYRVCJSIGZ-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2nccnc21)NCc1ccc2c(c1)OCO2 ZINC000064874370 568978596 /nfs/dbraw/zinc/97/85/96/568978596.db2.gz MWKNXCPIMQTVQD-UHFFFAOYSA-N 0 0 445.435 1.047 50 0 IDAARN COc1ccc(NC(=O)Cn2c3nccnc3c(=O)n(Cc3cccc(OC)c3)c2=O)cc1 ZINC000064887663 568979129 /nfs/dbraw/zinc/97/91/29/568979129.db2.gz FTCWWJXMKXQXFI-UHFFFAOYSA-N 0 0 447.451 1.657 50 0 IDAARN COc1cccc(Cn2c(=O)c3nccnc3n(CC(=O)Nc3ccc(F)cc3)c2=O)c1 ZINC000064887673 568979141 /nfs/dbraw/zinc/97/91/41/568979141.db2.gz QIOKMDGZRZZSQW-UHFFFAOYSA-N 0 0 435.415 1.788 50 0 IDAARN COc1ccc(NC(=O)Cn2c3nccnc3c(=O)n(CCc3ccccc3)c2=O)cc1 ZINC000064887699 568979170 /nfs/dbraw/zinc/97/91/70/568979170.db2.gz ZHCJOWLLHNYWSR-UHFFFAOYSA-N 0 0 431.452 1.843 50 0 IDAARN Cc1cccc(CN2CCN(CC(=O)N3CCN(c4ccccc4F)CC3)C(=O)C2=O)c1 ZINC000064888837 568979507 /nfs/dbraw/zinc/97/95/07/568979507.db2.gz KYZFHOWPMXUMKJ-UHFFFAOYSA-N 0 0 438.503 1.654 50 0 IDAARN Cc1ccc(-n2nc(-c3noc(CCC(=O)N4CCCCCC4)n3)c(=O)n(C)c2=O)cc1 ZINC000064888324 568979530 /nfs/dbraw/zinc/97/95/30/568979530.db2.gz QETDSBDBXJOXND-UHFFFAOYSA-N 0 0 438.488 1.625 50 0 IDAARN Cn1c(=O)c(-c2noc(CCC(=O)N3CCCCCC3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000064888273 568979565 /nfs/dbraw/zinc/97/95/65/568979565.db2.gz LCNCSUUJFVZNSU-UHFFFAOYSA-N 0 0 442.451 1.456 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000064889339 568979929 /nfs/dbraw/zinc/97/99/29/568979929.db2.gz URMTWBZTZIEZPJ-UHFFFAOYSA-N 0 0 431.474 1.482 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)Cc3ccc(F)cc3)CC1)OCC(=O)N2 ZINC000064889585 568980393 /nfs/dbraw/zinc/98/03/93/568980393.db2.gz ZOBXRJOOCMHWIE-UHFFFAOYSA-N 0 0 447.488 1.541 50 0 IDAARN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)cc1 ZINC000064889620 568980408 /nfs/dbraw/zinc/98/04/08/568980408.db2.gz FULFHLPSTMMJGO-UHFFFAOYSA-N 0 0 443.525 1.710 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)Cc3cccs3)CC1)OCC(=O)N2 ZINC000064889604 568980420 /nfs/dbraw/zinc/98/04/20/568980420.db2.gz KWIDFANXFQZTBW-UHFFFAOYSA-N 0 0 435.527 1.463 50 0 IDAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1 ZINC000064889905 568980584 /nfs/dbraw/zinc/98/05/84/568980584.db2.gz WRPYIXZRFGPTKA-UHFFFAOYSA-N 0 0 445.497 1.563 50 0 IDAARN O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064889900 568980618 /nfs/dbraw/zinc/98/06/18/568980618.db2.gz OSEIUYYMRJAKDP-UHFFFAOYSA-N 0 0 435.889 1.818 50 0 IDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1 ZINC000064890017 568980781 /nfs/dbraw/zinc/98/07/81/568980781.db2.gz LGQSRTQOVLYKON-AWEZNQCLSA-N 0 0 445.497 1.561 50 0 IDAARN Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000064890004 568980814 /nfs/dbraw/zinc/98/08/14/568980814.db2.gz HAZOPMMHBWPPPG-HNNXBMFYSA-N 0 0 429.498 1.861 50 0 IDAARN C[C@@H](Cc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000064921417 568985788 /nfs/dbraw/zinc/98/57/88/568985788.db2.gz LGKSBFQCTMYCKS-AWEZNQCLSA-N 0 0 447.513 1.759 50 0 IDAARN CC[C@H](C)N(C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1ccccc1OC ZINC000169680000 568990439 /nfs/dbraw/zinc/99/04/39/568990439.db2.gz XKCUQPYRAFOFMZ-ACRUOGEOSA-N 0 0 449.592 1.330 50 0 IDAARN COc1cccc(CNC(=O)Cn2nc(S(=O)(=O)c3cccc(OC)c3)ccc2=O)c1 ZINC000064943765 568993068 /nfs/dbraw/zinc/99/30/68/568993068.db2.gz UFPJSAJMNDYXKD-UHFFFAOYSA-N 0 0 443.481 1.410 50 0 IDAARN COCCNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3ccc(C)cc3)c2C(=O)N1C1CC1 ZINC000064954636 568997970 /nfs/dbraw/zinc/99/79/70/568997970.db2.gz QDEFSVDNBKRGAB-JOCHJYFZSA-N 0 0 425.489 1.583 50 0 IDAARN C[C@]1(C(=O)NC2CCCC2)Cn2cnc(C(=O)NCCc3ccco3)c2C(=O)N1C1CC1 ZINC000064954514 568997999 /nfs/dbraw/zinc/99/79/99/568997999.db2.gz RFXMKGVWQRBOLI-HSZRJFAPSA-N 0 0 439.516 1.884 50 0 IDAARN CC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)Nc1ccc2c(c1)OCO2 ZINC000064956646 568998384 /nfs/dbraw/zinc/99/83/84/568998384.db2.gz ATRSDQCIGMSVRB-UHFFFAOYSA-N 0 0 446.489 1.668 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)c1 ZINC000064957879 568999097 /nfs/dbraw/zinc/99/90/97/568999097.db2.gz JLPHZEMCNOKITO-SFHVURJKSA-N 0 0 431.562 1.653 50 0 IDAARN CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000064957947 568999112 /nfs/dbraw/zinc/99/91/12/568999112.db2.gz NCXBEFXACGKBIG-QGZVFWFLSA-N 0 0 432.550 1.048 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccn1)C(=O)[C@@H]1CCCCN21 ZINC000064966269 569001198 /nfs/dbraw/zinc/00/11/98/569001198.db2.gz YZFYJXBQHMIEHA-KRWDZBQOSA-N 0 0 443.529 1.676 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccco1)C(=O)[C@@H]1CCCCN21 ZINC000064966312 569001199 /nfs/dbraw/zinc/00/11/99/569001199.db2.gz RAHDRVJSEQCUBH-SFHVURJKSA-N 0 0 446.529 1.552 50 0 IDAARN Cn1c2ccc(S(=O)(=O)N3CC(OCc4ccccc4Cl)C3)cc2n(C)c(=O)c1=O ZINC000064968709 569001884 /nfs/dbraw/zinc/00/18/84/569001884.db2.gz KHTFOUSTPRSQCT-UHFFFAOYSA-N 0 0 449.916 1.480 50 0 IDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000064979343 569077869 /nfs/dbraw/zinc/07/78/69/569077869.db2.gz BJJDNWRKPQNXDI-UHFFFAOYSA-N 0 0 425.551 1.842 50 0 IDAARN O=C(NCc1ccccn1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036352653 569083757 /nfs/dbraw/zinc/08/37/57/569083757.db2.gz AUACCLJXWCRARG-MRXNPFEDSA-N 0 0 428.514 1.535 50 0 IDAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1 ZINC000036354309 569084157 /nfs/dbraw/zinc/08/41/57/569084157.db2.gz YHZOIOGHRJAEPV-HNNXBMFYSA-N 0 0 444.513 1.887 50 0 IDAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)NCc2ccccn2)cc1 ZINC000036357261 569084489 /nfs/dbraw/zinc/08/44/89/569084489.db2.gz WSAIMCHUIMAEFV-LJQANCHMSA-N 0 0 444.557 1.575 50 0 IDAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1cnc2cc(OC)c(OC)cc2c1=O ZINC000036369801 569088378 /nfs/dbraw/zinc/08/83/78/569088378.db2.gz YIWRTFKRINSWPF-SFHVURJKSA-N 0 0 439.468 1.704 50 0 biogenic IDAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)NCc4cccnc4)c(C)cc32)no1 ZINC000065022608 569088965 /nfs/dbraw/zinc/08/89/65/569088965.db2.gz ZQAWLQDJMVGLFG-UHFFFAOYSA-N 0 0 443.485 1.740 50 0 IDAARN CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc32)no1 ZINC000065022717 569089730 /nfs/dbraw/zinc/08/97/30/569089730.db2.gz DVKHCRZHXXNBFL-UHFFFAOYSA-N 0 0 449.533 1.192 50 0 IDAARN Cc1cc2c(cc1S(=O)(=O)N1CCOCC1)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022842 569089842 /nfs/dbraw/zinc/08/98/42/569089842.db2.gz POOMEOXQEGUILC-UHFFFAOYSA-N 0 0 434.474 1.202 50 0 IDAARN COc1cccc(CNC(=O)NCCn2nnc3cc(S(=O)(=O)NC(C)C)ccc32)c1 ZINC000065030003 569091250 /nfs/dbraw/zinc/09/12/50/569091250.db2.gz PPPSOPCLOYVIOT-UHFFFAOYSA-N 0 0 446.533 1.626 50 0 IDAARN Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)cc1 ZINC000065032541 569091581 /nfs/dbraw/zinc/09/15/81/569091581.db2.gz KMUDYTNTNYKUDV-UHFFFAOYSA-N 0 0 431.539 1.974 50 0 IDAARN Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)sc4c3)CC2)c1 ZINC000065032530 569091587 /nfs/dbraw/zinc/09/15/87/569091587.db2.gz BDUALZJHLOLYFC-UHFFFAOYSA-N 0 0 447.538 1.810 50 0 IDAARN Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 ZINC000065032605 569091625 /nfs/dbraw/zinc/09/16/25/569091625.db2.gz GCAZNEXNDOCYMI-UHFFFAOYSA-N 0 0 435.502 1.886 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccncc4)CC3)cc2sc1=O ZINC000065032801 569091698 /nfs/dbraw/zinc/09/16/98/569091698.db2.gz IVWSOZOUJGZOPK-UHFFFAOYSA-N 0 0 432.527 1.625 50 0 IDAARN CCCNS(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCOCC3)s2)n(C)c1C ZINC000065036097 569092532 /nfs/dbraw/zinc/09/25/32/569092532.db2.gz YMRFJCLTVCTLMV-UHFFFAOYSA-N 0 0 426.564 1.926 50 0 IDAARN COc1ccc(NC(=O)Cn2c(=O)c3cnc(-c4ccc(OC)cc4)nc3n(C)c2=O)cc1 ZINC000065056947 569094997 /nfs/dbraw/zinc/09/49/97/569094997.db2.gz VGGWGYNTYWPXKF-UHFFFAOYSA-N 0 0 447.451 1.813 50 0 IDAARN Cc1ccc(-c2ncc3c(=O)n(CC(=O)NCc4ccccc4F)c(=O)n(C)c3n2)cc1 ZINC000065057232 569095180 /nfs/dbraw/zinc/09/51/80/569095180.db2.gz PMIYVHBRCSWKPT-UHFFFAOYSA-N 0 0 433.443 1.921 50 0 IDAARN CCOC(=O)C1=C(CN2Cc3ccccc3C[C@@H]2C(=O)NC)NC(=O)N[C@H]1c1ccco1 ZINC000036390221 569096534 /nfs/dbraw/zinc/09/65/34/569096534.db2.gz LDAZPUDDUJMEIJ-XLIONFOSSA-N 0 0 438.484 1.624 50 0 IDAARN O=C(CN1CCN(c2cnccn2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000036392087 569098206 /nfs/dbraw/zinc/09/82/06/569098206.db2.gz JIHSKDXQHTXMON-UHFFFAOYSA-N 0 0 434.466 1.966 50 0 IDAARN Cc1c(C(=O)NC2CCN(S(C)(=O)=O)CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000036393200 569098446 /nfs/dbraw/zinc/09/84/46/569098446.db2.gz XIMCLTXIILZTQN-UHFFFAOYSA-N 0 0 431.440 1.748 50 0 IDAARN O=C(CN1c2ccc(S(=O)(=O)N3CCOCC3)cc2CCCC1=O)Nc1cccnc1 ZINC000065078861 569101059 /nfs/dbraw/zinc/10/10/59/569101059.db2.gz LZZBXWFPXRXVOF-UHFFFAOYSA-N 0 0 444.513 1.411 50 0 IDAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1F ZINC000169776992 569102241 /nfs/dbraw/zinc/10/22/41/569102241.db2.gz FBTJCOXGMKAKTG-UHFFFAOYSA-N 0 0 427.436 1.513 50 0 IDAARN Cc1cn2nc(C(=O)N3CCC(NC(=O)Cc4ccc(Cl)cc4)CC3)cc2c(=O)[nH]1 ZINC000169780846 569103066 /nfs/dbraw/zinc/10/30/66/569103066.db2.gz QOXWNULVCZFAFC-UHFFFAOYSA-N 0 0 427.892 1.948 50 0 IDAARN CNC(=O)C1CCN(c2nc3ncn(CC(=O)Nc4cccc(F)c4)c(=O)c3s2)CC1 ZINC000065101002 569105595 /nfs/dbraw/zinc/10/55/95/569105595.db2.gz ZKIJOKLJVKWMBP-UHFFFAOYSA-N 0 0 444.492 1.593 50 0 IDAARN CSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)NC[C@@H]1CCCO1 ZINC000065100539 569105617 /nfs/dbraw/zinc/10/56/17/569105617.db2.gz FQYHYICZHMPUBZ-AWEZNQCLSA-N 0 0 446.554 1.934 50 0 IDAARN CNC(=O)CCc1nc2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O ZINC000065101564 569105804 /nfs/dbraw/zinc/10/58/04/569105804.db2.gz AZORWFJQAYQKFO-UHFFFAOYSA-N 0 0 433.512 1.424 50 0 IDAARN CC(C)Cn1nc2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cccn2c1=O ZINC000065129428 569108799 /nfs/dbraw/zinc/10/87/99/569108799.db2.gz XHPKYOBMZIFQDB-UHFFFAOYSA-N 0 0 433.509 1.802 50 0 IDAARN CC(C)(C)c1ccc(Cn2nc3c(S(=O)(=O)N4CCOCC4)cccn3c2=O)cc1 ZINC000065129394 569108828 /nfs/dbraw/zinc/10/88/28/569108828.db2.gz VUOHDCBMPNMUDS-UHFFFAOYSA-N 0 0 430.530 1.863 50 0 IDAARN O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H](C1)O2 ZINC000065225129 569117749 /nfs/dbraw/zinc/11/77/49/569117749.db2.gz BYYRXUMYHAVKBU-IYBDPMFKSA-N 0 0 434.445 1.469 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CN(S(=O)(=O)c3cccc(C)c3)C[C@@H](C1)O2 ZINC000065225203 569117785 /nfs/dbraw/zinc/11/77/85/569117785.db2.gz HAINSMLWHBVYFP-IYBDPMFKSA-N 0 0 441.531 1.062 50 0 IDAARN CN1CCN(c2ncncc2N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000065226894 569117979 /nfs/dbraw/zinc/11/79/79/569117979.db2.gz QQKCYGBGOYPZOI-UHFFFAOYSA-N 0 0 449.603 1.794 50 0 IDAARN COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(Cl)ccc1F)C(=O)OC ZINC000036569332 569118678 /nfs/dbraw/zinc/11/86/78/569118678.db2.gz OWIXSENYGDBBLU-RHSMWYFYSA-N 0 0 438.843 1.964 50 0 IDAARN COCCNC(=O)[C@@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000036579840 569119682 /nfs/dbraw/zinc/11/96/82/569119682.db2.gz YVYIAWMOHAULTK-QQFBHYJXSA-N 0 0 443.541 1.178 50 0 IDAARN O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000036593016 569121213 /nfs/dbraw/zinc/12/12/13/569121213.db2.gz IFXGTZMCUSNQNR-CQSZACIVSA-N 0 0 425.397 1.840 50 0 IDAARN CCc1nn(CC)c(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4C)CC3)cn21 ZINC000065247311 569121902 /nfs/dbraw/zinc/12/19/02/569121902.db2.gz PIAPQQBQARKPBS-UHFFFAOYSA-N 0 0 429.546 1.898 50 0 IDAARN CCc1nn(CC)c(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cn21 ZINC000065247291 569121962 /nfs/dbraw/zinc/12/19/62/569121962.db2.gz NUWFSJIXNZGHFG-UHFFFAOYSA-N 0 0 433.509 1.728 50 0 IDAARN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C1)C(=O)N2C ZINC000065249449 569122057 /nfs/dbraw/zinc/12/20/57/569122057.db2.gz JPNGDBUJCCCUBD-NRFANRHFSA-N 0 0 430.482 1.775 50 0 biogenic IDAARN COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000013129771 569125434 /nfs/dbraw/zinc/12/54/34/569125434.db2.gz YBTFCAJQQNPTEC-OAHLLOKOSA-N 0 0 447.513 1.757 50 0 IDAARN Cn1c(C(=O)NCCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc2ccccc21 ZINC000524731878 569126633 /nfs/dbraw/zinc/12/66/33/569126633.db2.gz NOOLKEBXECYXMM-SFHVURJKSA-N 0 0 447.495 1.555 50 0 biogenic IDAARN CC(=O)N1CC(=O)[C@H]([C@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])c2cccnc2)C1=O ZINC000524732789 569126965 /nfs/dbraw/zinc/12/69/65/569126965.db2.gz NYKSQASWADIOKX-FGZHOGPDSA-N 0 0 432.480 1.888 50 0 IDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c([C@@H]2COc3ccccc3O2)n1 ZINC000524732494 569127486 /nfs/dbraw/zinc/12/74/86/569127486.db2.gz JJYZPEASNOWSFB-BBRMVZONSA-N 0 0 434.412 1.397 50 0 IDAARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)N[C@@H]1CCS(=O)(=O)C1 ZINC000524734622 569127754 /nfs/dbraw/zinc/12/77/54/569127754.db2.gz WOULUQYUSHSAAF-JLTOFOAXSA-N 0 0 439.493 1.495 50 0 IDAARN Cc1sc(-n2cnnn2)c(C(=O)Nc2cccc(C(=O)N3CCNC(=O)C3)c2)c1C ZINC000524735482 569128156 /nfs/dbraw/zinc/12/81/56/569128156.db2.gz FFLWPKNOVPKOOK-UHFFFAOYSA-N 0 0 425.474 1.165 50 0 IDAARN O=C(CSc1nnnn1-c1ccc(Br)cc1)N1CCn2c(=O)cccc2C1 ZINC000036636034 569128238 /nfs/dbraw/zinc/12/82/38/569128238.db2.gz INNKXKSIEPQJBP-UHFFFAOYSA-N 0 0 447.318 1.721 50 0 IDAARN C=C1C(N2CCCN(C(=O)NCC(=O)OCC)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065271904 569128693 /nfs/dbraw/zinc/12/86/93/569128693.db2.gz LHTZXMFLTLYKDC-UHFFFAOYSA-N 0 0 434.518 1.440 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3nc(N4CCSCC4)ccn3c2=O)cc1OC ZINC000065308149 569132679 /nfs/dbraw/zinc/13/26/79/569132679.db2.gz QNVXIKWBFUSVPF-UHFFFAOYSA-N 0 0 430.490 1.100 50 0 IDAARN Cc1cccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3C[C@H]3CCCO3)c2=O)c1 ZINC000065305460 569133292 /nfs/dbraw/zinc/13/32/92/569133292.db2.gz AFINRYXFISBEIA-OAHLLOKOSA-N 0 0 439.497 1.999 50 0 IDAARN CC1CCN(C(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3ccco3)c2=O)CC1 ZINC000065305553 569133301 /nfs/dbraw/zinc/13/33/01/569133301.db2.gz YKDTVHAXNAOWHF-UHFFFAOYSA-N 0 0 427.486 1.772 50 0 IDAARN Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)NCc1ccco1 ZINC000065319011 569134722 /nfs/dbraw/zinc/13/47/22/569134722.db2.gz DCKYAQPYSBYUGR-UHFFFAOYSA-N 0 0 432.458 1.589 50 0 IDAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3CC(=O)N2CCOCC2)C1 ZINC000065314816 569135645 /nfs/dbraw/zinc/13/56/45/569135645.db2.gz GWAPQGXKLLTGHM-MRXNPFEDSA-N 0 0 449.573 1.590 50 0 IDAARN O=C(c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCN(c2ccccn2)CC1 ZINC000036708450 569135936 /nfs/dbraw/zinc/13/59/36/569135936.db2.gz WUURZEVMNNJTCJ-INIZCTEOSA-N 0 0 441.513 1.860 50 0 IDAARN O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000036745218 569137469 /nfs/dbraw/zinc/13/74/69/569137469.db2.gz STTZHZHDZZNLCA-UHFFFAOYSA-N 0 0 440.500 1.033 50 0 IDAARN COc1cccc(-c2cc(C(=O)N3CCCN(S(=O)(=O)c4c[nH]cn4)CC3)n(C)n2)c1 ZINC000238871001 569137648 /nfs/dbraw/zinc/13/76/48/569137648.db2.gz MWYJAXOMHZMLMY-UHFFFAOYSA-N 0 0 444.517 1.356 50 0 IDAARN COc1ccc2cc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)[nH]c2c1 ZINC000238963263 569138084 /nfs/dbraw/zinc/13/80/84/569138084.db2.gz YRYYZKUOUUGTSA-UHFFFAOYSA-N 0 0 431.518 1.755 50 0 IDAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C(C)C ZINC000239306236 569138770 /nfs/dbraw/zinc/13/87/70/569138770.db2.gz GPKHYEGVIIWOKA-JYJNAYRXSA-N 0 0 426.558 1.543 50 0 IDAARN CCC(=O)Nc1ccc(C)c(NC(=O)NCC(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000065540719 569139508 /nfs/dbraw/zinc/13/95/08/569139508.db2.gz BFHGOAOYJJFHLK-UHFFFAOYSA-N 0 0 425.493 1.604 50 0 IDAARN Cc1ccc(OC[C@@H](O)Cn2c(NCCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1C ZINC000007425768 569140177 /nfs/dbraw/zinc/14/01/77/569140177.db2.gz OPRQIQNIFGUQCY-INIZCTEOSA-N 0 0 429.521 1.938 50 0 IDAARN Cc1ccccc1OC[C@@H](O)Cn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000007425576 569140203 /nfs/dbraw/zinc/14/02/03/569140203.db2.gz FXRRITUYFQVAIR-INIZCTEOSA-N 0 0 427.505 1.408 50 0 IDAARN CN(C)S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000037171372 569140571 /nfs/dbraw/zinc/14/05/71/569140571.db2.gz LIZCWDXWZSCLHX-UHFFFAOYSA-N 0 0 430.530 1.034 50 0 IDAARN O=S(=O)(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cccc(OC(F)(F)F)c1 ZINC000170591837 569141066 /nfs/dbraw/zinc/14/10/66/569141066.db2.gz CNNARPRLDNEHHS-FZMZJTMJSA-N 0 0 429.438 1.600 50 0 IDAARN Cc1ccc(O)c(C(=O)NCCN(CCN2CCOCC2)C(=O)c2cc(C)ccc2O)c1 ZINC000170596548 569142115 /nfs/dbraw/zinc/14/21/15/569142115.db2.gz DRLLZVZCYVWHPW-UHFFFAOYSA-N 0 0 441.528 1.919 50 0 IDAARN COC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC)c(O)c1 ZINC000170598334 569142230 /nfs/dbraw/zinc/14/22/30/569142230.db2.gz GUZUOKFPHVWWLV-IBGZPJMESA-N 0 0 448.497 1.829 50 0 IDAARN O=C(NCc1nnnn1CC1CC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000170597986 569142263 /nfs/dbraw/zinc/14/22/63/569142263.db2.gz XIENOLORCSKKSU-UHFFFAOYSA-N 0 0 440.476 1.078 50 0 IDAARN COc1ccc(S(=O)(=O)NC[Si](C)(C)c2ccccc2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000170599226 569142458 /nfs/dbraw/zinc/14/24/58/569142458.db2.gz UBDZBTIRPLXLRP-HXUWFJFHSA-N 0 0 447.589 1.183 50 0 IDAARN CCCCN(C(=O)CSc1nc2cncnc2[nH]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000170599559 569142600 /nfs/dbraw/zinc/14/26/00/569142600.db2.gz RAINOFISLCWJHA-UHFFFAOYSA-N 0 0 446.537 1.367 50 0 IDAARN NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)ccn1 ZINC000170600633 569142995 /nfs/dbraw/zinc/14/29/95/569142995.db2.gz WDHVEFKVISAPJS-UHFFFAOYSA-N 0 0 444.922 1.419 50 0 IDAARN NC(=O)C1=NO[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)C1 ZINC000170605988 569143951 /nfs/dbraw/zinc/14/39/51/569143951.db2.gz HRYQGJQUSUNLDL-WMZOPIPTSA-N 0 0 428.876 1.428 50 0 IDAARN Nc1nc(=O)[nH]cc1N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1 ZINC000170607253 569144268 /nfs/dbraw/zinc/14/42/68/569144268.db2.gz BAGVWUYKJHFLIM-UHFFFAOYSA-N 0 0 442.911 1.011 50 0 IDAARN COc1nc(C)cc(C)c1-c1noc([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000170606790 569144548 /nfs/dbraw/zinc/14/45/48/569144548.db2.gz HWWGDNYUSPKCGB-ZDUSSCGKSA-N 0 0 443.485 1.925 50 0 IDAARN COC(=O)CN(Cc1cccc(Br)c1)C(=O)CN(C)Cc1nnc(C)n1C ZINC000170609943 569144866 /nfs/dbraw/zinc/14/48/66/569144866.db2.gz QTIOHPUPPAQQQF-UHFFFAOYSA-N 0 0 438.326 1.520 50 0 IDAARN COC(=O)CN1CCN(c2ccc(NC(=O)Cc3ccccc3[S@@](C)=O)cc2)CC1 ZINC000170610296 569145168 /nfs/dbraw/zinc/14/51/68/569145168.db2.gz IXRLTUNADLHLLL-SSEXGKCCSA-N 0 0 429.542 1.900 50 0 IDAARN CN(CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000170614604 569146353 /nfs/dbraw/zinc/14/63/53/569146353.db2.gz KRJBVVJCMRLVKJ-RHSMWYFYSA-N 0 0 431.961 1.851 50 0 IDAARN CN(CCCC(=O)OCC(=O)N(C)c1nccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000170616646 569146780 /nfs/dbraw/zinc/14/67/80/569146780.db2.gz OKFAJQWEJSBWEU-UHFFFAOYSA-N 0 0 429.495 1.889 50 0 IDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009882735 569149805 /nfs/dbraw/zinc/14/98/05/569149805.db2.gz OAJHKNQHCAOPLW-UHFFFAOYSA-N 0 0 442.472 1.457 50 0 IDAARN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)OCc1cc(=O)n2ccsc2n1 ZINC000009883959 569150245 /nfs/dbraw/zinc/15/02/45/569150245.db2.gz UIKMTOALEJRUAG-UHFFFAOYSA-N 0 0 427.891 1.821 50 0 IDAARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009910783 569150571 /nfs/dbraw/zinc/15/05/71/569150571.db2.gz WAAFWBRRJPJGDV-UHFFFAOYSA-N 0 0 444.488 1.528 50 0 IDAARN O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)Nc1nncs1 ZINC000071283785 569150755 /nfs/dbraw/zinc/15/07/55/569150755.db2.gz SYYZGHPEINGTRL-UHFFFAOYSA-N 0 0 431.909 1.714 50 0 IDAARN COC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219876 569152657 /nfs/dbraw/zinc/15/26/57/569152657.db2.gz HDENEMTUNXSRNY-SNVBAGLBSA-N 0 0 426.882 1.044 50 0 IDAARN O=C(NCc1ccco1)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 ZINC000010219892 569152847 /nfs/dbraw/zinc/15/28/47/569152847.db2.gz RJWNAUUKNCICNH-UHFFFAOYSA-N 0 0 434.861 1.802 50 0 IDAARN NC(=O)C1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1 ZINC000010220901 569153056 /nfs/dbraw/zinc/15/30/56/569153056.db2.gz HYBSADBOFVKBMV-UHFFFAOYSA-N 0 0 433.921 1.935 50 0 IDAARN CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(N3CCN(C)CC3)c3c2CCC3)cc1 ZINC000010255098 569153950 /nfs/dbraw/zinc/15/39/50/569153950.db2.gz DREWHYQENWOVCQ-UHFFFAOYSA-N 0 0 441.557 1.549 50 0 IDAARN CN1CCN(n2c(=O)nc(SCC(=O)N3CCc4ccccc43)c3c2CCCC3)CC1 ZINC000010255185 569153955 /nfs/dbraw/zinc/15/39/55/569153955.db2.gz YOBUUXQDNSMKTF-UHFFFAOYSA-N 0 0 439.585 1.687 50 0 IDAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)cc1OC ZINC000010254860 569154314 /nfs/dbraw/zinc/15/43/14/569154314.db2.gz NJQCQGMRIBPITK-UHFFFAOYSA-N 0 0 446.489 1.329 50 0 IDAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)c(OC)c1 ZINC000010254830 569154319 /nfs/dbraw/zinc/15/43/19/569154319.db2.gz WZAKNGZQJVUYIW-UHFFFAOYSA-N 0 0 446.489 1.329 50 0 IDAARN CC[C@@H](C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000010385982 569154459 /nfs/dbraw/zinc/15/44/59/569154459.db2.gz UKPQUWANMCBFBY-OCCSQVGLSA-N 0 0 435.912 1.737 50 0 IDAARN CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000013693125 569156510 /nfs/dbraw/zinc/15/65/10/569156510.db2.gz YTJBDRRFEQJTCQ-UHFFFAOYSA-N 0 0 436.511 1.903 50 0 IDAARN COc1ccccc1CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 ZINC000013692953 569156588 /nfs/dbraw/zinc/15/65/88/569156588.db2.gz ITBGFHBFRMXKOY-UHFFFAOYSA-N 0 0 438.527 1.876 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000013714645 569156789 /nfs/dbraw/zinc/15/67/89/569156789.db2.gz AQXUFHASMOXJKK-UHFFFAOYSA-N 0 0 431.514 1.591 50 0 IDAARN COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000013730321 569156927 /nfs/dbraw/zinc/15/69/27/569156927.db2.gz IEOSMBXDDVNLRB-CYBMUJFWSA-N 0 0 436.511 1.759 50 0 IDAARN CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ncccn2)CC1 ZINC000014047732 569157679 /nfs/dbraw/zinc/15/76/79/569157679.db2.gz KUEPCQZUGBMFGH-QGZVFWFLSA-N 0 0 442.545 1.423 50 0 IDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000014232630 569158233 /nfs/dbraw/zinc/15/82/33/569158233.db2.gz CGBMZFQYNYXCNW-XJKSGUPXSA-N 0 0 433.486 1.268 50 0 IDAARN Cn1c2ccccc2n(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1=O ZINC000014351079 569158687 /nfs/dbraw/zinc/15/86/87/569158687.db2.gz PIHRWUSYEJAITK-UHFFFAOYSA-N 0 0 434.543 1.371 50 0 IDAARN CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)N[C@H]3CCCc4ccccc43)c2c1 ZINC000014351985 569158708 /nfs/dbraw/zinc/15/87/08/569158708.db2.gz OGRUJGKLYATFHR-KRWDZBQOSA-N 0 0 429.502 1.304 50 0 IDAARN C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000016818731 569162424 /nfs/dbraw/zinc/16/24/24/569162424.db2.gz JOEADMBMMRNAFS-LBPRGKRZSA-N 0 0 433.515 1.386 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(NC(C)=O)cc2)c3=O)cc1 ZINC000016890481 569165503 /nfs/dbraw/zinc/16/55/03/569165503.db2.gz AEBYVDDWLVPYQB-UHFFFAOYSA-N 0 0 433.428 1.583 50 0 IDAARN COc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2=O)cc1OC ZINC000016913706 569165917 /nfs/dbraw/zinc/16/59/17/569165917.db2.gz SAJNTHMNENYYNQ-HNNXBMFYSA-N 0 0 447.513 1.489 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000089914328 569167503 /nfs/dbraw/zinc/16/75/03/569167503.db2.gz MVESYMXOURTZST-OAQYLSRUSA-N 0 0 425.397 1.592 50 0 IDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H](Cn4ccnn4)C3)cc2)C[C@H](C)O1 ZINC000089936759 569168282 /nfs/dbraw/zinc/16/82/82/569168282.db2.gz YNHHHLZSARFIDF-KSZLIROESA-N 0 0 447.561 1.628 50 0 IDAARN CCOC(=O)C1=C(COC(=O)c2ccc(-n3cncn3)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000089978355 569169588 /nfs/dbraw/zinc/16/95/88/569169588.db2.gz TZCKXIPJSYHWMF-SFHVURJKSA-N 0 0 437.412 1.888 50 0 IDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CCN(C)CC3)c12 ZINC000016992987 569169857 /nfs/dbraw/zinc/16/98/57/569169857.db2.gz YTBVKVFHGQHEHS-HNNXBMFYSA-N 0 0 443.529 1.747 50 0 IDAARN COc1ccccc1N1CCN([C@@H](CNC(=O)C(=O)NCC(C)C)c2cccnc2)CC1 ZINC000017113216 569174152 /nfs/dbraw/zinc/17/41/52/569174152.db2.gz WPZIRPCOXPSIMH-NRFANRHFSA-N 0 0 439.560 1.842 50 0 IDAARN Cn1c(=O)c2c(SCC(=O)NCc3ccccc3)nc(-c3ccco3)nc2n(C)c1=O ZINC000017148880 569174874 /nfs/dbraw/zinc/17/48/74/569174874.db2.gz VLGQGUDEDZDWKP-UHFFFAOYSA-N 0 0 437.481 1.696 50 0 IDAARN COc1ccccc1NC(=O)CSc1nc(C2CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000017148795 569174922 /nfs/dbraw/zinc/17/49/22/569174922.db2.gz CFBMTYLAKYHTBX-UHFFFAOYSA-N 0 0 427.486 1.644 50 0 IDAARN O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000017178489 569175535 /nfs/dbraw/zinc/17/55/35/569175535.db2.gz ADPTWICIYZAMJZ-OAQYLSRUSA-N 0 0 425.485 1.611 50 0 IDAARN CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC000002079679 569177069 /nfs/dbraw/zinc/17/70/69/569177069.db2.gz VYMQKLALKYYFJG-QGZVFWFLSA-N 0 0 447.440 1.651 50 0 IDAARN COc1cccc(OCCN2C(=O)[C@H]3CN(S(=O)(=O)c4cccs4)C[C@H]3C2=O)c1 ZINC000261495043 569179732 /nfs/dbraw/zinc/17/97/32/569179732.db2.gz WFHZMBHITHEKKX-IYBDPMFKSA-N 0 0 436.511 1.441 50 0 IDAARN O=C(/C=C\c1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000252467656 569184899 /nfs/dbraw/zinc/18/48/99/569184899.db2.gz YSVONJXWRUZMKI-LFXAIAOTSA-N 0 0 431.558 1.360 50 0 IDAARN COc1ccccc1NC(=O)CNC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000002134039 569185027 /nfs/dbraw/zinc/18/50/27/569185027.db2.gz BODVAWUTDKJLSN-DIKXUDHVSA-N 0 0 436.461 1.146 50 0 biogenic IDAARN Cc1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c1 ZINC000002134505 569185263 /nfs/dbraw/zinc/18/52/63/569185263.db2.gz DXEGUBZOOFITMD-JCSQCDBKSA-N 0 0 434.489 1.835 50 0 biogenic IDAARN Cc1cc2ncc3c(n2n1)CCN(C(=O)CCNS(=O)(=O)c1cccc(Cl)c1)C3 ZINC000208035654 569187184 /nfs/dbraw/zinc/18/71/84/569187184.db2.gz YEYAJVCDAZGEFD-UHFFFAOYSA-N 0 0 433.921 1.944 50 0 IDAARN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1 ZINC000252495211 569187960 /nfs/dbraw/zinc/18/79/60/569187960.db2.gz ONPYBSWGVYGFIR-UHFFFAOYSA-N 0 0 447.492 1.464 50 0 IDAARN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCCCO[C@H]2CCCCO2)cc1C ZINC000252540386 569190296 /nfs/dbraw/zinc/19/02/96/569190296.db2.gz PIBUITDDZROIMQ-HOJAQTOUSA-N 0 0 441.546 1.904 50 0 IDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000252694694 569211018 /nfs/dbraw/zinc/21/10/18/569211018.db2.gz OJLSSLQLXZDJDV-XISCYFFVSA-N 0 0 433.508 1.647 50 0 biogenic IDAARN CCOC(=O)N1CCN(C(=O)c2ccc(Cn3c(=O)[nH]c4ccccc4c3=O)cc2)CC1 ZINC000009589717 569215618 /nfs/dbraw/zinc/21/56/18/569215618.db2.gz JKYXFPFFNBFBIE-UHFFFAOYSA-N 0 0 436.468 1.652 50 0 IDAARN COc1c(=O)c(C(=O)NCc2ccc(F)cc2F)cn2c1C(=O)N1[C@H](C)CCO[C@H]1C2 ZINC000149538858 569255135 /nfs/dbraw/zinc/25/51/35/569255135.db2.gz MOSMLVZNRGURDI-BZNIZROVSA-N 0 0 433.411 1.656 50 0 IDAARN COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)CC2=O)c1 ZINC000253393219 569264474 /nfs/dbraw/zinc/26/44/74/569264474.db2.gz YOSGCFUUMCMLGT-MRUHUIDDSA-N 0 0 432.517 1.741 50 0 IDAARN CC(C)N(C)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C(C)C)[C@@H](C)c1ccccc1 ZINC000253415551 569266343 /nfs/dbraw/zinc/26/63/43/569266343.db2.gz GCVYRORWFHIPJJ-WMZOPIPTSA-N 0 0 434.628 1.508 50 0 IDAARN O=C(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000253425110 569267124 /nfs/dbraw/zinc/26/71/24/569267124.db2.gz AYLOIDAWFYOIRE-UHFFFAOYSA-N 0 0 431.449 1.884 50 0 IDAARN Cc1nc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)ccc1Br ZINC000253424245 569267140 /nfs/dbraw/zinc/26/71/40/569267140.db2.gz CAFGZRXGNNYSSB-UHFFFAOYSA-N 0 0 429.300 1.414 50 0 IDAARN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CC[C@](O)(c2nc(C(C)C)no2)C1 ZINC000253431812 569268584 /nfs/dbraw/zinc/26/85/84/569268584.db2.gz IDXRIDAJKAGZTB-GOSISDBHSA-N 0 0 433.856 1.564 50 0 IDAARN COCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc21 ZINC000002308373 569271918 /nfs/dbraw/zinc/27/19/18/569271918.db2.gz LXBIBBYSQIBIHV-UHFFFAOYSA-N 0 0 440.485 1.180 50 0 IDAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253500144 569283401 /nfs/dbraw/zinc/28/34/01/569283401.db2.gz XVGNADCCCZEHRJ-WHZJULEDSA-N 0 0 438.429 1.457 50 0 biogenic IDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)cnc4c3)CC2)c1 ZINC000253630215 569284548 /nfs/dbraw/zinc/28/45/48/569284548.db2.gz PZTJEKXUOIBQRJ-UHFFFAOYSA-N 0 0 428.470 1.491 50 0 IDAARN COC(=O)c1cn(-c2cccc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2)cc2c(=O)[nH]nc1-2 ZINC000252499840 569287975 /nfs/dbraw/zinc/28/79/75/569287975.db2.gz SGDJZVXXYIPTNM-UHFFFAOYSA-N 0 0 447.495 1.677 50 0 IDAARN CCOC(=O)/C=C1\SCC(=O)N1CCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000008733859 569290158 /nfs/dbraw/zinc/29/01/58/569290158.db2.gz VEAWLXWZBUKALQ-CPYXBQISSA-N 0 0 447.469 1.162 50 0 IDAARN Cn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)CN1C(=O)c2ccccc2C1=O ZINC000009444901 569296369 /nfs/dbraw/zinc/29/63/69/569296369.db2.gz CTMNWRNOMHRSOA-VXPUYCOJSA-N 0 0 429.479 1.367 50 0 IDAARN COc1ccc(-c2ccc(=O)n(CC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n2)cc1 ZINC000225425719 569299870 /nfs/dbraw/zinc/29/98/70/569299870.db2.gz WDSFJISVMMRFER-AEFFLSMTSA-N 0 0 432.480 1.727 50 0 biogenic IDAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)C1CCCCC1 ZINC000002415304 569301424 /nfs/dbraw/zinc/30/14/24/569301424.db2.gz OUGCUOGJWZQCSE-LJQANCHMSA-N 0 0 436.390 1.932 50 0 IDAARN Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1cccc(N2CCCC2=O)c1 ZINC000012997735 569306103 /nfs/dbraw/zinc/30/61/03/569306103.db2.gz UJWPORVHFFBNMA-AWEZNQCLSA-N 0 0 448.570 1.894 50 0 IDAARN Cc1ccc(NC(=O)Cn2cnc3sccc3c2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000013074553 569309233 /nfs/dbraw/zinc/30/92/33/569309233.db2.gz XATXZGFQLMUHOZ-UHFFFAOYSA-N 0 0 448.526 1.426 50 0 IDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000013164615 569312494 /nfs/dbraw/zinc/31/24/94/569312494.db2.gz GVTMGPSQYXAJBC-JLCFBVMHSA-N 0 0 439.424 1.139 50 0 IDAARN COc1ccc(CCNC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1OC ZINC000013369789 569314825 /nfs/dbraw/zinc/31/48/25/569314825.db2.gz FLTPPLHPRXUFIO-ZMIKWESLSA-N 0 0 437.489 1.759 50 0 IDAARN COc1ccc(OC)c(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)c1 ZINC000013371236 569314925 /nfs/dbraw/zinc/31/49/25/569314925.db2.gz ADDXRYAUSCBADC-RDJZCZTQSA-N 0 0 445.584 1.537 50 0 IDAARN COc1ccc(OCCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1 ZINC000013371233 569314943 /nfs/dbraw/zinc/31/49/43/569314943.db2.gz ZNRVHPLJNZSEDS-HOTGVXAUSA-N 0 0 431.557 1.365 50 0 IDAARN COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1OC ZINC000013371175 569314963 /nfs/dbraw/zinc/31/49/63/569314963.db2.gz USQQLGYTTWGMMZ-YOEHRIQHSA-N 0 0 445.584 1.537 50 0 IDAARN COc1cccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000013371865 569315078 /nfs/dbraw/zinc/31/50/78/569315078.db2.gz XUBJPAIPSZTKEI-PMACEKPBSA-N 0 0 441.546 1.914 50 0 IDAARN CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000078874758 569319641 /nfs/dbraw/zinc/31/96/41/569319641.db2.gz AZXRPQWAEXRIMV-SJORKVTESA-N 0 0 445.564 1.800 50 0 IDAARN COc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 ZINC000078899420 569320122 /nfs/dbraw/zinc/32/01/22/569320122.db2.gz VKZOQLWQVNOQHQ-WBVHZDCISA-N 0 0 444.575 1.517 50 0 IDAARN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](CCO)c1ccccc1 ZINC000078950385 569320540 /nfs/dbraw/zinc/32/05/40/569320540.db2.gz CSTZRFODDBYJMV-NRFANRHFSA-N 0 0 447.557 1.702 50 0 IDAARN O=c1[nH]c2cc(Br)c(S(=O)(=O)NC[C@H]3COc4ccccc4O3)cc2[nH]1 ZINC000078967566 569320558 /nfs/dbraw/zinc/32/05/58/569320558.db2.gz CQQCWLOOFZGAEK-VIFPVBQESA-N 0 0 440.275 1.737 50 0 IDAARN CCNC(=O)C1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 ZINC000078985247 569321253 /nfs/dbraw/zinc/32/12/53/569321253.db2.gz PMWWHEPAWTYBQC-UHFFFAOYSA-N 0 0 432.340 1.393 50 0 IDAARN Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000078994314 569321545 /nfs/dbraw/zinc/32/15/45/569321545.db2.gz JGSYPWHBHZOAAS-MRXNPFEDSA-N 0 0 427.480 1.484 50 0 IDAARN CNC(=O)Cc1nc(COC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cs1 ZINC000078999911 569321848 /nfs/dbraw/zinc/32/18/48/569321848.db2.gz NJIWDRWMFVIKLE-UHFFFAOYSA-N 0 0 441.531 1.484 50 0 IDAARN COCCS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000079016113 569322135 /nfs/dbraw/zinc/32/21/35/569322135.db2.gz DZAPTKGWRPCUAI-LJQANCHMSA-N 0 0 444.509 1.506 50 0 IDAARN COc1ccc2c(C)c(CCC(=O)N[C@H]3CCC(=O)N[C@@H]3c3cnn(C)c3)c(=O)oc2c1 ZINC000079021510 569322461 /nfs/dbraw/zinc/32/24/61/569322461.db2.gz GANQIUFPLVFTAB-PGRDOPGGSA-N 0 0 438.484 1.912 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000019610253 569322984 /nfs/dbraw/zinc/32/29/84/569322984.db2.gz YTRYKUROLKVGNU-UHFFFAOYSA-N 0 0 435.380 1.770 50 0 IDAARN COc1ncnc(N(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000079061311 569323914 /nfs/dbraw/zinc/32/39/14/569323914.db2.gz ZTKOXGNYKLGNIL-OKILXGFUSA-N 0 0 449.533 1.601 50 0 IDAARN NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000079107472 569325856 /nfs/dbraw/zinc/32/58/56/569325856.db2.gz PMOHWPQDCSACKQ-OAHLLOKOSA-N 0 0 438.406 1.355 50 0 IDAARN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1 ZINC000079110986 569326179 /nfs/dbraw/zinc/32/61/79/569326179.db2.gz RXBHDJMHGCIXHW-QGZVFWFLSA-N 0 0 430.530 1.757 50 0 IDAARN CCN(C(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000019797421 569329651 /nfs/dbraw/zinc/32/96/51/569329651.db2.gz ZZDVTAKKISVMNO-HNNXBMFYSA-N 0 0 428.532 1.038 50 0 IDAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C1=O ZINC000019797424 569329691 /nfs/dbraw/zinc/32/96/91/569329691.db2.gz GOBNBHQGGNUFIR-UHFFFAOYSA-N 0 0 429.502 1.142 50 0 IDAARN O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 ZINC000019819021 569329955 /nfs/dbraw/zinc/32/99/55/569329955.db2.gz JGIIIXSBYLJYHC-KRWDZBQOSA-N 0 0 433.486 1.149 50 0 IDAARN CC(C)Cn1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O ZINC000079475799 569330712 /nfs/dbraw/zinc/33/07/12/569330712.db2.gz RYJYOWACQOAJST-QGZVFWFLSA-N 0 0 431.558 1.602 50 0 IDAARN CS(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccn3)c(=O)c3ccccc23)CC1 ZINC000079488560 569331084 /nfs/dbraw/zinc/33/10/84/569331084.db2.gz WHAPTEXACBMIDP-UHFFFAOYSA-N 0 0 426.498 1.162 50 0 IDAARN COc1ccc(S(=O)(=O)CCNC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 ZINC000079494386 569331400 /nfs/dbraw/zinc/33/14/00/569331400.db2.gz IEJAIUUVOUZNPC-UHFFFAOYSA-N 0 0 432.546 1.909 50 0 IDAARN O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019912224 569331858 /nfs/dbraw/zinc/33/18/58/569331858.db2.gz DWBGNHXFMOZCJH-FQEVSTJZSA-N 0 0 434.583 1.911 50 0 IDAARN C[C@@H](C(=O)N1CCN(CCO)CC1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000019911597 569331914 /nfs/dbraw/zinc/33/19/14/569331914.db2.gz XMGMPJDEMIFHNC-SFHVURJKSA-N 0 0 436.512 1.007 50 0 IDAARN COc1ccc([C@@H](N2CCOCC2)P(=O)(N2CCOCC2)N2CCOCC2)cc1 ZINC000020030252 569332426 /nfs/dbraw/zinc/33/24/26/569332426.db2.gz PXAMXYGYXPEGOM-FQEVSTJZSA-N 0 0 425.466 1.884 50 0 IDAARN O=C1CCc2cc(S(=O)(=O)NC[C@](O)(c3ccoc3)c3ccco3)cc3c2N1CC3 ZINC000390827077 569353828 /nfs/dbraw/zinc/35/38/28/569353828.db2.gz SYYLRLWOYCXNLC-NRFANRHFSA-N 0 0 428.466 1.922 50 0 IDAARN CN1c2ccccc2N(C2CCN(C(=O)Cn3c4ccccc4oc3=O)CC2)S1(=O)=O ZINC000390832320 569354572 /nfs/dbraw/zinc/35/45/72/569354572.db2.gz YQCHBQFKCZWPOJ-UHFFFAOYSA-N 0 0 442.497 1.787 50 0 IDAARN COc1ccc(CC(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)cc1OC ZINC000020178409 569354604 /nfs/dbraw/zinc/35/46/04/569354604.db2.gz ZFDCIRARBNCUPK-UHFFFAOYSA-N 0 0 440.500 1.912 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214230 569356548 /nfs/dbraw/zinc/35/65/48/569356548.db2.gz YIRHPPTWENCNHX-GOSISDBHSA-N 0 0 434.468 1.771 50 0 IDAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCC(OC)OC)c(C)o2)cc1OC ZINC000020241708 569358022 /nfs/dbraw/zinc/35/80/22/569358022.db2.gz UQTHEJSZGKEXLS-GDLZYMKVSA-N 0 0 426.491 1.651 50 0 IDAARN COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000020287753 569359286 /nfs/dbraw/zinc/35/92/86/569359286.db2.gz TWTGTJWPBCWVED-OXJNMPFZSA-N 0 0 430.574 1.866 50 0 IDAARN CC[C@H](C)NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21 ZINC000020355447 569361441 /nfs/dbraw/zinc/36/14/41/569361441.db2.gz MVRSGMOFGINJDM-OAGGEKHMSA-N 0 0 437.562 1.993 50 0 IDAARN Cc1sc2nc(CN3CCN(C(=O)CCOC[C@H]4CCCO4)CC3)[nH]c(=O)c2c1C ZINC000095347341 569361501 /nfs/dbraw/zinc/36/15/01/569361501.db2.gz XUFASWGRQJDQMU-MRXNPFEDSA-N 0 0 434.562 1.831 50 0 IDAARN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000095429231 569366161 /nfs/dbraw/zinc/36/61/61/569366161.db2.gz LHTHUWNWGJVKSS-IBGZPJMESA-N 0 0 438.546 1.843 50 0 IDAARN COc1cc2c(cc1OC)CN(CC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)CC2 ZINC000095427690 569366192 /nfs/dbraw/zinc/36/61/92/569366192.db2.gz NGTFZHBBEZPRSK-INIZCTEOSA-N 0 0 434.518 1.257 50 0 IDAARN CC(C)[C@H](C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl)N1CCCS1(=O)=O ZINC000095430627 569366197 /nfs/dbraw/zinc/36/61/97/569366197.db2.gz VIPOWBUGBKHXRN-MLGOLLRUSA-N 0 0 439.361 1.909 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000095442445 569366683 /nfs/dbraw/zinc/36/66/83/569366683.db2.gz WELJPYWBBFTMBQ-OCCSQVGLSA-N 0 0 439.408 1.726 50 0 IDAARN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000095442446 569366889 /nfs/dbraw/zinc/36/68/89/569366889.db2.gz WELJPYWBBFTMBQ-JSGCOSHPSA-N 0 0 439.408 1.726 50 0 IDAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2COc3ccccc3C2=O)CC1 ZINC000095444702 569367086 /nfs/dbraw/zinc/36/70/86/569367086.db2.gz BKFPZZSPXQRYIA-INIZCTEOSA-N 0 0 433.486 1.452 50 0 IDAARN COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c1 ZINC000095449603 569367653 /nfs/dbraw/zinc/36/76/53/569367653.db2.gz QEIMOIFGADDCIQ-GFCCVEGCSA-N 0 0 438.441 1.846 50 0 IDAARN COCCN(CCNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)OC(C)(C)C ZINC000095453553 569368243 /nfs/dbraw/zinc/36/82/43/569368243.db2.gz LABWSXJETICJHB-UHFFFAOYSA-N 0 0 430.505 1.905 50 0 IDAARN Cc1cccn2cc(COc3ccccc3C(=O)NC[C@@H]3CS(=O)(=O)CCO3)nc12 ZINC000095454251 569368358 /nfs/dbraw/zinc/36/83/58/569368358.db2.gz CVFVFSCJIAQZEP-QGZVFWFLSA-N 0 0 429.498 1.765 50 0 IDAARN CC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ccc4nnc(C)n4n3)CC2)ccc1C ZINC000095454386 569368375 /nfs/dbraw/zinc/36/83/75/569368375.db2.gz FGOHECNUARRFSW-UHFFFAOYSA-N 0 0 429.506 1.210 50 0 IDAARN O=C(CCCn1ccnn1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000095455439 569368512 /nfs/dbraw/zinc/36/85/12/569368512.db2.gz 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Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1 ZINC000095472979 569372364 /nfs/dbraw/zinc/37/23/64/569372364.db2.gz NXIZSZUUCIGMSK-UHFFFAOYSA-N 0 0 442.560 1.120 50 0 IDAARN O=C([C@@H](c1ccccc1)n1cnnn1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000095476258 569372988 /nfs/dbraw/zinc/37/29/88/569372988.db2.gz FETGUWVGDCWOCX-GOSISDBHSA-N 0 0 446.920 1.449 50 0 IDAARN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc(Br)ccc2OS(C)(=O)=O)S1 ZINC000020896179 569375124 /nfs/dbraw/zinc/37/51/24/569375124.db2.gz ASUKAPYTDTZMGE-GFCCVEGCSA-N 0 0 436.309 1.789 50 0 IDAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)C1=O ZINC000095939093 569375212 /nfs/dbraw/zinc/37/52/12/569375212.db2.gz ALTHSYRTOYICKZ-QFIPXVFZSA-N 0 0 431.408 1.641 50 0 IDAARN COC(=O)[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000095955468 569376860 /nfs/dbraw/zinc/37/68/60/569376860.db2.gz BEWKYIQKJBZQTF-ZDUSSCGKSA-N 0 0 439.317 1.044 50 0 IDAARN COC(=O)[C@H]1CN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)O1 ZINC000095965897 569377326 /nfs/dbraw/zinc/37/73/26/569377326.db2.gz OSERSORAUJESFA-KBAYOESNSA-N 0 0 426.535 1.477 50 0 IDAARN COc1ccc(-c2nnc(SCC(=O)NCCC(=O)Nc3ccccc3)n2N)cc1 ZINC000095979957 569377962 /nfs/dbraw/zinc/37/79/62/569377962.db2.gz RNDLZDJYWVZLAV-UHFFFAOYSA-N 0 0 426.502 1.905 50 0 IDAARN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCN1C(=S)N=NC1c1cccc(C)c1 ZINC000095992824 569378288 /nfs/dbraw/zinc/37/82/88/569378288.db2.gz OPLXGBXEEFDWOW-INIZCTEOSA-N 0 0 447.561 1.752 50 0 IDAARN CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2nncs2)[C@@H](C(=O)Nc2nncs2)C1 ZINC000095992978 569378335 /nfs/dbraw/zinc/37/83/35/569378335.db2.gz KEMDGWGXDVQCNY-IUCAKERBSA-N 0 0 425.496 1.450 50 0 IDAARN COC(=O)C1(CNC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CCOCC1 ZINC000096006474 569379327 /nfs/dbraw/zinc/37/93/27/569379327.db2.gz CAYWUYZHSJUOQY-SNVBAGLBSA-N 0 0 433.324 1.715 50 0 IDAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1 ZINC000096099659 569381635 /nfs/dbraw/zinc/38/16/35/569381635.db2.gz XMGCOXUQPWZZIC-UHFFFAOYSA-N 0 0 434.927 1.104 50 0 IDAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000096099614 569381667 /nfs/dbraw/zinc/38/16/67/569381667.db2.gz RFMIULQRFZZCBW-UHFFFAOYSA-N 0 0 444.575 1.132 50 0 IDAARN COc1ccc(-c2nn(CCCC(=O)NCCN3CCOCC3)c(=O)cc2OC)cc1 ZINC000096100911 569381802 /nfs/dbraw/zinc/38/18/02/569381802.db2.gz LABPLHLJAUWFOB-UHFFFAOYSA-N 0 0 430.505 1.156 50 0 IDAARN CCOC(=O)N1CCc2nn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)cc2C1 ZINC000096105727 569382542 /nfs/dbraw/zinc/38/25/42/569382542.db2.gz FYYKCMGOKBVWCF-UHFFFAOYSA-N 0 0 443.479 1.246 50 0 IDAARN CN(CC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000096113485 569382592 /nfs/dbraw/zinc/38/25/92/569382592.db2.gz RJQKOQLRSJLUSO-UHFFFAOYSA-N 0 0 439.877 1.241 50 0 IDAARN COc1cc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc2c1OCCO2 ZINC000096115267 569383195 /nfs/dbraw/zinc/38/31/95/569383195.db2.gz NTXWDLQVBZUHLP-HNNXBMFYSA-N 0 0 431.441 1.814 50 0 biogenic IDAARN O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000096115997 569383539 /nfs/dbraw/zinc/38/35/39/569383539.db2.gz DVWMZKISDTZQKV-IBGZPJMESA-N 0 0 435.484 1.708 50 0 biogenic IDAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OC)cn1CC(=O)NC1CC1)CC2 ZINC000096118081 569384493 /nfs/dbraw/zinc/38/44/93/569384493.db2.gz HANVTBMGBYJUTG-UHFFFAOYSA-N 0 0 427.501 1.711 50 0 biogenic IDAARN Cc1ccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)nn1 ZINC000096119423 569384661 /nfs/dbraw/zinc/38/46/61/569384661.db2.gz IOBDMGZAOULFRI-UHFFFAOYSA-N 0 0 446.529 1.490 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)CC1 ZINC000096124151 569385505 /nfs/dbraw/zinc/38/55/05/569385505.db2.gz YLWRZFNQEPCKKK-HNNXBMFYSA-N 0 0 428.497 1.011 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)NCCc3ccncc3)C2=O)cc1OC ZINC000096125589 569385770 /nfs/dbraw/zinc/38/57/70/569385770.db2.gz QBEWCVBNXBWHGA-GOSISDBHSA-N 0 0 440.500 1.701 50 0 IDAARN O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)C(=O)N1Cc1ccccc1 ZINC000096191552 569386207 /nfs/dbraw/zinc/38/62/07/569386207.db2.gz ZRMHROFOUWHCEC-UHFFFAOYSA-N 0 0 434.496 1.688 50 0 IDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000096222625 569387258 /nfs/dbraw/zinc/38/72/58/569387258.db2.gz JOFDLDCIVLRMLK-KRWDZBQOSA-N 0 0 425.441 1.593 50 0 biogenic IDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000096231548 569387631 /nfs/dbraw/zinc/38/76/31/569387631.db2.gz AFVYKSYSZAANJG-IBGZPJMESA-N 0 0 437.500 1.292 50 0 IDAARN COc1cccc(C(=O)N2[C@H](C(=O)NC3CC3)COC23CCN(C(=O)C2CC2)CC3)c1 ZINC000096275135 569388159 /nfs/dbraw/zinc/38/81/59/569388159.db2.gz AYUJKTXJBKIFTH-IBGZPJMESA-N 0 0 427.501 1.544 50 0 IDAARN COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3cccc(F)c3)ccc2=O)c(OC)c1 ZINC000096307767 569392322 /nfs/dbraw/zinc/39/23/22/569392322.db2.gz MQILXDVOAAMFCI-UHFFFAOYSA-N 0 0 447.444 1.871 50 0 IDAARN O=C(c1cc(-c2cccnc2)n[nH]1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000096324904 569396098 /nfs/dbraw/zinc/39/60/98/569396098.db2.gz WPWORELEXVJANS-SFHVURJKSA-N 0 0 444.495 1.809 50 0 IDAARN C[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1 ZINC000096324945 569396153 /nfs/dbraw/zinc/39/61/53/569396153.db2.gz BTIMGVBBMIDMRJ-INIZCTEOSA-N 0 0 432.484 1.575 50 0 IDAARN O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000096344131 569396914 /nfs/dbraw/zinc/39/69/14/569396914.db2.gz LWSGDLWQHQFSBU-KRWDZBQOSA-N 0 0 447.495 1.989 50 0 IDAARN CCCS(=O)(=O)C1=C(C(=O)OC)c2cccc(C(N)=O)c2[C@@H]1S(=O)(=O)CCC ZINC000096592165 569401778 /nfs/dbraw/zinc/40/17/78/569401778.db2.gz JXHKSHZNGNOUHO-HNNXBMFYSA-N 0 0 429.516 1.374 50 0 IDAARN CC(C)NC(=O)CN1CCN(CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1 ZINC000096865447 569402504 /nfs/dbraw/zinc/40/25/04/569402504.db2.gz RKZUPAPAGKBMBS-XMMPIXPASA-N 0 0 443.592 1.851 50 0 IDAARN COCCN1CC[C@@H](N2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000097078251 569403079 /nfs/dbraw/zinc/40/30/79/569403079.db2.gz UVIAVCXZZOENSH-QGZVFWFLSA-N 0 0 449.495 1.649 50 0 IDAARN Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C)CC(=O)c2ccco2)cc1C ZINC000097165165 569403435 /nfs/dbraw/zinc/40/34/35/569403435.db2.gz UQTQLXYRUUOKNF-WBVHZDCISA-N 0 0 449.529 1.587 50 0 IDAARN COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000027914503 569403619 /nfs/dbraw/zinc/40/36/19/569403619.db2.gz PMYQFZPSNHPEKY-UHFFFAOYSA-N 0 0 446.529 1.143 50 0 IDAARN O=C(CCNS(=O)(=O)c1cccc(F)c1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225635748 569406243 /nfs/dbraw/zinc/40/62/43/569406243.db2.gz DSINNNGUTOXTJE-KRWDZBQOSA-N 0 0 449.460 1.330 50 0 IDAARN Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000225677010 569406657 /nfs/dbraw/zinc/40/66/57/569406657.db2.gz FQCQNRHXOBDWFW-UHFFFAOYSA-N 0 0 448.364 1.810 50 0 IDAARN NC(=O)COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 ZINC000225737438 569407801 /nfs/dbraw/zinc/40/78/01/569407801.db2.gz SDZVVRJLBPOAEG-AWEZNQCLSA-N 0 0 445.419 1.807 50 0 IDAARN COc1cccc(N2C[C@@H](C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn43)CC2=O)c1 ZINC000225744496 569407929 /nfs/dbraw/zinc/40/79/29/569407929.db2.gz CLQUCPWWOFYGRA-HNNXBMFYSA-N 0 0 447.455 1.766 50 0 IDAARN O=C(Cc1ccc2c(c1)OCO2)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 ZINC000225761520 569408335 /nfs/dbraw/zinc/40/83/35/569408335.db2.gz TXHSJTHIYXUCHD-UHFFFAOYSA-N 0 0 425.416 1.964 50 0 IDAARN O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCCn1cnc2ccsc2c1=O ZINC000225773406 569408476 /nfs/dbraw/zinc/40/84/76/569408476.db2.gz BDFDISFIBFOAKK-NSHDSACASA-N 0 0 429.527 1.357 50 0 IDAARN CCOC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000028201158 569409021 /nfs/dbraw/zinc/40/90/21/569409021.db2.gz RVCSVADGASHKSG-UHFFFAOYSA-N 0 0 428.507 1.174 50 0 IDAARN CCCn1c(=O)c2c(nc1N1CCN(C(=O)c3ccc4c(c3)OCO4)CC1)c(C)nn2C ZINC000028557148 569412299 /nfs/dbraw/zinc/41/22/99/569412299.db2.gz PHUKOAMYTQDLFB-UHFFFAOYSA-N 0 0 438.488 1.540 50 0 IDAARN CCc1nc2c(C)nn(C)c2c(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 ZINC000028557605 569412338 /nfs/dbraw/zinc/41/23/38/569412338.db2.gz RERHMEHYLSHWAK-UHFFFAOYSA-N 0 0 430.534 1.754 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002632304 569412589 /nfs/dbraw/zinc/41/25/89/569412589.db2.gz QBVOSCWVBZKLIY-UHFFFAOYSA-N 0 0 435.889 1.781 50 0 IDAARN Cc1ccccc1OCn1ccc(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1 ZINC000002728921 569418720 /nfs/dbraw/zinc/41/87/20/569418720.db2.gz HVYXESXTCLOMDH-UHFFFAOYSA-N 0 0 444.517 1.108 50 0 IDAARN Cc1c(NC(=O)c2c(NC(=O)CCS(=O)(=O)c3ccccc3)cnn2C)cnn1C ZINC000002730972 569419396 /nfs/dbraw/zinc/41/93/96/569419396.db2.gz NLMGHMQLPFQNMA-UHFFFAOYSA-N 0 0 430.490 1.517 50 0 IDAARN Cc1nn(Cn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)c(C)c1Br ZINC000002802372 569422433 /nfs/dbraw/zinc/42/24/33/569422433.db2.gz ZWWFGEBMECRLHC-UHFFFAOYSA-N 0 0 427.270 1.956 50 0 IDAARN Cc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cnn1C ZINC000002803851 569422528 /nfs/dbraw/zinc/42/25/28/569422528.db2.gz TWBPFPYIWDTPRP-UHFFFAOYSA-N 0 0 434.543 1.577 50 0 IDAARN CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(C(=O)OCC)CC3)c(C)c2c1=O ZINC000002937459 569426231 /nfs/dbraw/zinc/42/62/31/569426231.db2.gz AUUPPTXKOGCBOH-UHFFFAOYSA-N 0 0 449.533 1.207 50 0 IDAARN COc1cccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000056998126 569428987 /nfs/dbraw/zinc/42/89/87/569428987.db2.gz ACUQBVVMKBDJMN-MSOLQXFVSA-N 0 0 430.482 1.438 50 0 IDAARN O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000056997924 569428997 /nfs/dbraw/zinc/42/89/97/569428997.db2.gz BDRGRDCSACGMSV-UHFFFAOYSA-N 0 0 444.919 1.988 50 0 IDAARN CC(C)CCn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000057010955 569429142 /nfs/dbraw/zinc/42/91/42/569429142.db2.gz IWWVAJMLJTVXMC-UHFFFAOYSA-N 0 0 442.539 1.941 50 0 IDAARN COc1cccc(N2C(=O)CN(CCc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000057176041 569429927 /nfs/dbraw/zinc/42/99/27/569429927.db2.gz IOVOXJCARYYTLZ-VQTJNVASSA-N 0 0 430.526 1.761 50 0 IDAARN COc1ccccc1N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000057364732 569432128 /nfs/dbraw/zinc/43/21/28/569432128.db2.gz LPTCBXZWUMOULS-UHFFFAOYSA-N 0 0 428.558 1.863 50 0 IDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415503 569434019 /nfs/dbraw/zinc/43/40/19/569434019.db2.gz VMGZKUZGOLEXTG-IBGZPJMESA-N 0 0 430.505 1.454 50 0 IDAARN COc1ccc(N2C[C@H](C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)CC2=O)cc1 ZINC000057416715 569434271 /nfs/dbraw/zinc/43/42/71/569434271.db2.gz XBRXLHQEXSIVPO-GOSISDBHSA-N 0 0 435.480 1.488 50 0 IDAARN COc1ccc(CCN2CC(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000230089172 569434367 /nfs/dbraw/zinc/43/43/67/569434367.db2.gz ODVVGDFJWVSFSW-MOPGFXCFSA-N 0 0 430.526 1.761 50 0 IDAARN COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 ZINC000057426563 569434617 /nfs/dbraw/zinc/43/46/17/569434617.db2.gz YOEGNSZJWGEWIP-INIZCTEOSA-N 0 0 429.498 1.577 50 0 IDAARN COC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478317 569435836 /nfs/dbraw/zinc/43/58/36/569435836.db2.gz NGJSVHUFCSIYRR-OAQYLSRUSA-N 0 0 437.500 1.693 50 0 IDAARN COCCn1c(=O)c2sccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000057485910 569436415 /nfs/dbraw/zinc/43/64/15/569436415.db2.gz VCLWOOCZJUDXAQ-UHFFFAOYSA-N 0 0 447.513 1.247 50 0 IDAARN O=C(CNC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NCc1ccc2c(c1)OCO2 ZINC000003042280 569438497 /nfs/dbraw/zinc/43/84/97/569438497.db2.gz XXURQAOSBNFUAJ-CVEARBPZSA-N 0 0 440.525 1.187 50 0 IDAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1c[nH]c2ccccc12 ZINC000003226420 569442113 /nfs/dbraw/zinc/44/21/13/569442113.db2.gz MGRYXUNKBOYZGM-UHFFFAOYSA-N 0 0 443.525 1.927 50 0 IDAARN CCN(C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000003290275 569444218 /nfs/dbraw/zinc/44/42/18/569444218.db2.gz OHOYKPAHDFYDQV-GFCCVEGCSA-N 0 0 425.488 1.593 50 0 IDAARN O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc(Cl)cc1Cl ZINC000003295649 569444652 /nfs/dbraw/zinc/44/46/52/569444652.db2.gz BAEKTKASNKZZCK-UHFFFAOYSA-N 0 0 436.251 1.856 50 0 IDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003295531 569444658 /nfs/dbraw/zinc/44/46/58/569444658.db2.gz QHTDFMUBZPJEEZ-UHFFFAOYSA-N 0 0 434.518 1.664 50 0 IDAARN Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1C[C@@H]1CCCO1 ZINC000003295715 569444672 /nfs/dbraw/zinc/44/46/72/569444672.db2.gz BMQVOIASQARFON-INIZCTEOSA-N 0 0 439.468 1.713 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N(C)c1ccc(O)cc1 ZINC000003297189 569444815 /nfs/dbraw/zinc/44/48/15/569444815.db2.gz MIYYLLRBEKSUQZ-UHFFFAOYSA-N 0 0 449.554 1.873 50 0 IDAARN COC(=O)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003298560 569444885 /nfs/dbraw/zinc/44/48/85/569444885.db2.gz BWGZGBJAJMAKOZ-UHFFFAOYSA-N 0 0 434.470 1.512 50 0 IDAARN COC(=O)C1CCN(C(=O)CSc2nnc(COc3ccc(OC)cc3)n2N)CC1 ZINC000003313317 569445592 /nfs/dbraw/zinc/44/55/92/569445592.db2.gz MKQJWCRPFXTMJY-UHFFFAOYSA-N 0 0 435.506 1.083 50 0 IDAARN CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000058045440 569445920 /nfs/dbraw/zinc/44/59/20/569445920.db2.gz 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COc1ccccc1-n1c(C)nnc1SCC(=O)OCC(=O)NC(=O)NC(C)(C)C ZINC000003390022 569449198 /nfs/dbraw/zinc/44/91/98/569449198.db2.gz YSPCWMWILKBYJD-UHFFFAOYSA-N 0 0 435.506 1.844 50 0 IDAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000003421090 569450448 /nfs/dbraw/zinc/45/04/48/569450448.db2.gz SLRGHYRWRZTQDQ-UHFFFAOYSA-N 0 0 447.513 1.427 50 0 IDAARN O=C(COn1nnc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(F)cc1 ZINC000003429351 569450718 /nfs/dbraw/zinc/45/07/18/569450718.db2.gz PHOXPKXCFXLMNS-UHFFFAOYSA-N 0 0 447.492 1.490 50 0 IDAARN COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000003433499 569450935 /nfs/dbraw/zinc/45/09/35/569450935.db2.gz CJTKNMGPXDQOLE-UHFFFAOYSA-N 0 0 435.458 1.465 50 0 IDAARN C[C@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)C(=O)NC(N)=O ZINC000003521785 569453204 /nfs/dbraw/zinc/45/32/04/569453204.db2.gz KQLCDUDAWCGFAX-LBPRGKRZSA-N 0 0 426.502 1.936 50 0 IDAARN Cc1cc(C(=O)NC23C[C@H]4C[C@@H](C2)CC(n2ncnn2)(C4)C3)cc(S(N)(=O)=O)c1C ZINC000670446559 569453463 /nfs/dbraw/zinc/45/34/63/569453463.db2.gz UZQHFYFSNCTQHF-JNKARSBBSA-N 0 0 430.534 1.415 50 0 IDAARN CCN(C(=O)CN(C)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003542050 569453628 /nfs/dbraw/zinc/45/36/28/569453628.db2.gz QJVIRWOAYLWOQA-UHFFFAOYSA-N 0 0 439.491 1.791 50 0 IDAARN COc1ccc(NC(=O)COc2ccccc2C(=O)OCC(=O)NC(N)=O)cc1Cl ZINC000003572786 569454253 /nfs/dbraw/zinc/45/42/53/569454253.db2.gz MHPDHLHREHXLGT-UHFFFAOYSA-N 0 0 435.820 1.718 50 0 IDAARN CN(Cc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772774 569457208 /nfs/dbraw/zinc/45/72/08/569457208.db2.gz RQSCNBKTKGAAHW-SFHVURJKSA-N 0 0 443.568 1.468 50 0 IDAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 ZINC000031772912 569457314 /nfs/dbraw/zinc/45/73/14/569457314.db2.gz ZYWHRZPIJUSNHU-KRWDZBQOSA-N 0 0 441.552 1.399 50 0 IDAARN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1Cn1nnn(-c2cccs2)c1=O ZINC000031792945 569457395 /nfs/dbraw/zinc/45/73/95/569457395.db2.gz FBLKGSQKNWOBCG-UHFFFAOYSA-N 0 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Nc1nc2nc[nH]c2c(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 ZINC000031817786 569457989 /nfs/dbraw/zinc/45/79/89/569457989.db2.gz QYFSOQYJDKCFSB-UHFFFAOYSA-N 0 0 444.340 1.270 50 0 IDAARN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000059061396 569458753 /nfs/dbraw/zinc/45/87/53/569458753.db2.gz CHUHENJIVYCEFF-OAHLLOKOSA-N 0 0 442.541 1.912 50 0 IDAARN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000032094986 569459810 /nfs/dbraw/zinc/45/98/10/569459810.db2.gz DEQCDKQGQNKASV-QGZVFWFLSA-N 0 0 440.452 1.979 50 0 IDAARN COC(=O)[C@H](CCSC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000032102243 569460128 /nfs/dbraw/zinc/46/01/28/569460128.db2.gz BYXSGMOIEJRALO-INIZCTEOSA-N 0 0 445.563 1.006 50 0 IDAARN CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000032102490 569460137 /nfs/dbraw/zinc/46/01/37/569460137.db2.gz SDKATICATBGEBK-IFIJOSMWSA-N 0 0 425.507 1.297 50 0 IDAARN COC(=O)C1=C(CN2CCN(c3ncccn3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204926 569464529 /nfs/dbraw/zinc/46/45/29/569464529.db2.gz NLURWLDRBAJYOP-GOSISDBHSA-N 0 0 426.452 1.219 50 0 IDAARN CCOC(=O)C1CCN(C(=O)Cn2ncn3nc(-c4ccc(CC)cc4)cc3c2=O)CC1 ZINC000067208904 569464780 /nfs/dbraw/zinc/46/47/80/569464780.db2.gz AQUBMYABXHQDHK-UHFFFAOYSA-N 0 0 437.500 1.922 50 0 IDAARN COc1ccc(-c2cc3nn(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)n3c(C)n2)cc1 ZINC000067226600 569465343 /nfs/dbraw/zinc/46/53/43/569465343.db2.gz HBDJIZVMXWMWTQ-UHFFFAOYSA-N 0 0 447.451 1.920 50 0 IDAARN Cc1ccc(Cl)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O ZINC000067245859 569465960 /nfs/dbraw/zinc/46/59/60/569465960.db2.gz UOGOPWFKKAAOFW-UHFFFAOYSA-N 0 0 425.894 1.470 50 0 IDAARN CCOC(=O)N1CCC(NC(=O)Cn2ccn(-c3ccc(OCC)cc3)c(=O)c2=O)CC1 ZINC000067256196 569466047 /nfs/dbraw/zinc/46/60/47/569466047.db2.gz HPBCHWMLHLLWOW-UHFFFAOYSA-N 0 0 444.488 1.135 50 0 IDAARN CCOC(=O)CNC(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O ZINC000067255507 569466067 /nfs/dbraw/zinc/46/60/67/569466067.db2.gz XIHNSOSOLFFTRT-UHFFFAOYSA-N 0 0 435.893 1.516 50 0 IDAARN COCc1cc(=O)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c(N2CCCC2)n1 ZINC000067257010 569466090 /nfs/dbraw/zinc/46/60/90/569466090.db2.gz OZFNZTVITXVPOP-UHFFFAOYSA-N 0 0 432.477 1.654 50 0 IDAARN CCOc1cc([C@@H]2NC(=O)NC(CN3CCC4(CC3)OCCO4)=C2C(=O)OC)ccc1O ZINC000067285630 569466967 /nfs/dbraw/zinc/46/69/67/569466967.db2.gz ZDWAXFREKVSDLO-IBGZPJMESA-N 0 0 447.488 1.411 50 0 IDAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286840 569467009 /nfs/dbraw/zinc/46/70/09/569467009.db2.gz LCFKEYUUBHSKHT-HXUWFJFHSA-N 0 0 430.505 1.421 50 0 IDAARN O=C(CN1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000067317445 569468455 /nfs/dbraw/zinc/46/84/55/569468455.db2.gz MKFIJGBEJRBGHB-UHFFFAOYSA-N 0 0 438.507 1.643 50 0 IDAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ncccn4)CC3)nc2N)cc1 ZINC000067336341 569468915 /nfs/dbraw/zinc/46/89/15/569468915.db2.gz MGUAFNSHYZSLLP-UHFFFAOYSA-N 0 0 427.490 1.017 50 0 IDAARN CCCn1cc(C(=O)N2CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337800 569468924 /nfs/dbraw/zinc/46/89/24/569468924.db2.gz LCRTVPDPPVFUSM-UHFFFAOYSA-N 0 0 437.953 1.913 50 0 IDAARN CCn1cc(C(=O)N2C[C@H]2C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338431 569468980 /nfs/dbraw/zinc/46/89/80/569468980.db2.gz DDTCCEKPJCASEV-DIERRCTGSA-N 0 0 431.562 1.875 50 0 IDAARN CCOC(=O)Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)OCC)CC3)cc2oc1=O ZINC000008599087 569469340 /nfs/dbraw/zinc/46/93/40/569469340.db2.gz GIFOALWFHMAGHN-UHFFFAOYSA-N 0 0 440.474 1.121 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O ZINC000008658507 569469754 /nfs/dbraw/zinc/46/97/54/569469754.db2.gz VSVILKVTODIYLG-UHFFFAOYSA-N 0 0 426.395 1.659 50 0 IDAARN CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2F)c(=O)n1C ZINC000008704259 569470287 /nfs/dbraw/zinc/47/02/87/569470287.db2.gz LPWHCFLLVIGFHI-AWEZNQCLSA-N 0 0 428.468 1.878 50 0 IDAARN CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C ZINC000008706162 569470524 /nfs/dbraw/zinc/47/05/24/569470524.db2.gz VHBCKGAVMNRTPR-UHFFFAOYSA-N 0 0 430.896 1.831 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Br)cc2)c(=O)n3C)n1CCO ZINC000008709840 569470772 /nfs/dbraw/zinc/47/07/72/569470772.db2.gz VAXSHOVQKUTHPN-UHFFFAOYSA-N 0 0 432.278 1.261 50 0 IDAARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)N1CCN(C(=O)c2cccs2)CC1 ZINC000008718576 569471328 /nfs/dbraw/zinc/47/13/28/569471328.db2.gz CRFSYFSHWBKVCY-UHFFFAOYSA-N 0 0 426.450 1.996 50 0 IDAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000008728486 569472436 /nfs/dbraw/zinc/47/24/36/569472436.db2.gz JFVFABKSERMAKN-IBGZPJMESA-N 0 0 432.498 1.410 50 0 IDAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000008748568 569473246 /nfs/dbraw/zinc/47/32/46/569473246.db2.gz ICTHYVWKMBHYKN-KRWDZBQOSA-N 0 0 434.445 1.567 50 0 IDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000008749329 569473283 /nfs/dbraw/zinc/47/32/83/569473283.db2.gz UECYHBJWKCMHKH-LLVKDONJSA-N 0 0 428.454 1.019 50 0 IDAARN CCOC(=O)c1c(C)n(S(C)(=O)=O)c2ccc(N(C(=O)C(C)C)S(C)(=O)=O)cc21 ZINC000008753902 569473732 /nfs/dbraw/zinc/47/37/32/569473732.db2.gz IGDCZVBBDKGZBY-UHFFFAOYSA-N 0 0 444.531 1.883 50 0 IDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000008754230 569473784 /nfs/dbraw/zinc/47/37/84/569473784.db2.gz PSMZDDYCTAXIKY-UHFFFAOYSA-N 0 0 427.482 1.891 50 0 IDAARN CS(=O)(=O)CC[C@@H](C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O ZINC000008754741 569473838 /nfs/dbraw/zinc/47/38/38/569473838.db2.gz USWMWBNCYFJQRC-HNNXBMFYSA-N 0 0 431.422 1.420 50 0 IDAARN Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1C ZINC000008754777 569473868 /nfs/dbraw/zinc/47/38/68/569473868.db2.gz KEBRSDRQMAAAPN-UHFFFAOYSA-N 0 0 433.505 1.705 50 0 IDAARN CS(=O)(=O)CC[C@H](C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O ZINC000008754747 569473869 /nfs/dbraw/zinc/47/38/69/569473869.db2.gz USWMWBNCYFJQRC-OAHLLOKOSA-N 0 0 431.422 1.420 50 0 IDAARN O=C(CNC(c1ccccc1)c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000008761955 569474293 /nfs/dbraw/zinc/47/42/93/569474293.db2.gz GLBHNJDVPWMUID-NRFANRHFSA-N 0 0 427.570 1.697 50 0 IDAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(C(C)=O)cc1 ZINC000008765253 569474763 /nfs/dbraw/zinc/47/47/63/569474763.db2.gz YFPZJQZIRKMAKS-LDENHOCBSA-N 0 0 427.453 1.973 50 0 biogenic IDAARN CCOc1ccc(N(CC(=O)Nc2cc(C)[nH]n2)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000008767692 569474908 /nfs/dbraw/zinc/47/49/08/569474908.db2.gz GTXBQMTZOXPQGX-JKSUJKDBSA-N 0 0 449.558 1.830 50 0 IDAARN O=C(COC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)N1CCCC1=O ZINC000008769967 569475145 /nfs/dbraw/zinc/47/51/45/569475145.db2.gz KBSJUINOGWTKOM-UHFFFAOYSA-N 0 0 445.291 1.196 50 0 IDAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008776232 569475415 /nfs/dbraw/zinc/47/54/15/569475415.db2.gz MQCBDKHTFXMCIM-HXUWFJFHSA-N 0 0 442.453 1.909 50 0 IDAARN CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(C)C ZINC000008790554 569476082 /nfs/dbraw/zinc/47/60/82/569476082.db2.gz IBQRMVOFKXPEIX-GQAKTHPZSA-N 0 0 433.574 1.920 50 0 biogenic IDAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2nn(CC)c(=O)c3ccccc32)CC1 ZINC000008806703 569476474 /nfs/dbraw/zinc/47/64/74/569476474.db2.gz IUHIXFRRZUCBRG-CQSZACIVSA-N 0 0 429.473 1.763 50 0 IDAARN Cn1c2nc(SCCO)n(C[C@H](O)COc3cccc4ccccc43)c2c(=O)[nH]c1=O ZINC000008809357 569476513 /nfs/dbraw/zinc/47/65/13/569476513.db2.gz XFVHRQYSBUFSPR-AWEZNQCLSA-N 0 0 442.497 1.101 50 0 IDAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3OCC)CC2)cc1 ZINC000008824572 569477166 /nfs/dbraw/zinc/47/71/66/569477166.db2.gz DQOCYLVEWJVNDJ-UHFFFAOYSA-N 0 0 447.513 1.804 50 0 IDAARN CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000008824843 569477226 /nfs/dbraw/zinc/47/72/26/569477226.db2.gz POXSHLVWXLJQFS-GFCCVEGCSA-N 0 0 447.419 1.853 50 0 IDAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1cccc(C)c1 ZINC000008834004 569477879 /nfs/dbraw/zinc/47/78/79/569477879.db2.gz LERJREBRRWXADA-PFAUGDHASA-N 0 0 437.445 1.030 50 0 biogenic IDAARN COc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c3=O)cc1 ZINC000008849149 569479191 /nfs/dbraw/zinc/47/91/91/569479191.db2.gz UYWJCPYOXZYWEK-UHFFFAOYSA-N 0 0 429.383 1.482 50 0 IDAARN CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(OC)c2)c(=O)c3=O)cc1 ZINC000008849409 569479261 /nfs/dbraw/zinc/47/92/61/569479261.db2.gz JPWJFLLSLOXTLG-UHFFFAOYSA-N 0 0 437.456 1.603 50 0 IDAARN CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2cccs2)cc1 ZINC000008880276 569481418 /nfs/dbraw/zinc/48/14/18/569481418.db2.gz CFDGTTRIIHSTAG-UHFFFAOYSA-N 0 0 426.516 1.675 50 0 IDAARN O=C(Cn1c(=O)oc2cc(Cl)ccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000039984226 569482319 /nfs/dbraw/zinc/48/23/19/569482319.db2.gz DZVVQEABZYGMER-UHFFFAOYSA-N 0 0 449.916 1.922 50 0 IDAARN Cc1cc(C)n(CCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)n1 ZINC000039995427 569482408 /nfs/dbraw/zinc/48/24/08/569482408.db2.gz VTFLTVAUAKVYHN-LJQANCHMSA-N 0 0 434.562 1.548 50 0 IDAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000040023414 569482682 /nfs/dbraw/zinc/48/26/82/569482682.db2.gz SNSNWTQXLWYSRB-ZDUSSCGKSA-N 0 0 428.514 1.616 50 0 IDAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000040023413 569482702 /nfs/dbraw/zinc/48/27/02/569482702.db2.gz SNSNWTQXLWYSRB-CYBMUJFWSA-N 0 0 428.514 1.616 50 0 IDAARN COc1cc(OC)nc(NC(=O)COC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)n1 ZINC000040024283 569482754 /nfs/dbraw/zinc/48/27/54/569482754.db2.gz JCDCWLPCHUVSTJ-GOSISDBHSA-N 0 0 430.461 1.739 50 0 IDAARN C[C@@H](NC(=O)COC(=O)CSCC(=O)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000008882345 569482910 /nfs/dbraw/zinc/48/29/10/569482910.db2.gz RTVWBUFRMDRIEU-NOCBQHASSA-N 0 0 438.590 1.843 50 0 IDAARN CS(=O)(=O)N1CCc2cc(C(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)ccc21 ZINC000008882997 569482988 /nfs/dbraw/zinc/48/29/88/569482988.db2.gz FSCBFUOREWZNJH-UHFFFAOYSA-N 0 0 449.492 1.787 50 0 IDAARN O=C(Cc1n[nH]c(=O)c2ccccc12)OCCCOC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000008884419 569483169 /nfs/dbraw/zinc/48/31/69/569483169.db2.gz BRINOPUCRWAVKH-UHFFFAOYSA-N 0 0 448.435 1.421 50 0 IDAARN CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1nc(NC(C)=O)nc(N(C)C)n1 ZINC000008892316 569483457 /nfs/dbraw/zinc/48/34/57/569483457.db2.gz IVFZGWJYXUNGPG-UHFFFAOYSA-N 0 0 436.436 1.302 50 0 IDAARN O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000040052189 569484476 /nfs/dbraw/zinc/48/44/76/569484476.db2.gz HRXMGTJELOOVAB-VQTJNVASSA-N 0 0 441.528 1.953 50 0 IDAARN COC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000040051467 569484479 /nfs/dbraw/zinc/48/44/79/569484479.db2.gz DYVCUGYGXUVMTM-SFHVURJKSA-N 0 0 425.441 1.959 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)NCCc2ccccc2)c3=O)cc1OC ZINC000008903913 569484522 /nfs/dbraw/zinc/48/45/22/569484522.db2.gz PIHDNCJTSIZLCU-UHFFFAOYSA-N 0 0 434.456 1.353 50 0 IDAARN CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000040058663 569484698 /nfs/dbraw/zinc/48/46/98/569484698.db2.gz IULNWZJLWXDIRP-UHFFFAOYSA-N 0 0 438.527 1.041 50 0 IDAARN Cc1cc(C)n2ncc(C(=O)OCc3cccc(S(=O)(=O)N4CCOCC4)c3)c2n1 ZINC000040060184 569484850 /nfs/dbraw/zinc/48/48/50/569484850.db2.gz DYIZJELRJVAMBE-UHFFFAOYSA-N 0 0 430.486 1.724 50 0 IDAARN CS(=O)(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 ZINC000040061921 569484884 /nfs/dbraw/zinc/48/48/84/569484884.db2.gz KTINTQAPRYQVCO-FQEVSTJZSA-N 0 0 429.542 1.568 50 0 IDAARN O=C(Nc1nc(CN2CCOCC2)cs1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000040069606 569485376 /nfs/dbraw/zinc/48/53/76/569485376.db2.gz MFGUTIJNPUMPPC-UHFFFAOYSA-N 0 0 428.522 1.268 50 0 IDAARN NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000008922658 569486939 /nfs/dbraw/zinc/48/69/39/569486939.db2.gz SHVMVDOBPPUMFY-UHFFFAOYSA-N 0 0 433.574 1.690 50 0 IDAARN CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)Cc1ccc2c(c1)OCO2 ZINC000008936995 569488087 /nfs/dbraw/zinc/48/80/87/569488087.db2.gz HDUVTZFXJOXAKZ-QHCPKHFHSA-N 0 0 438.484 1.822 50 0 IDAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)CC(=O)N3CCOCC3)cc2)cc1 ZINC000008938560 569488242 /nfs/dbraw/zinc/48/82/42/569488242.db2.gz GCUNYTWGEUTZMS-UHFFFAOYSA-N 0 0 445.541 1.751 50 0 IDAARN CN1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1 ZINC000040107863 569488485 /nfs/dbraw/zinc/48/84/85/569488485.db2.gz GUSKBXLGYRVZAY-OAQYLSRUSA-N 0 0 441.576 1.618 50 0 IDAARN C[C@@]1(c2cccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c2)NC(=O)NC1=O ZINC000040111097 569488828 /nfs/dbraw/zinc/48/88/28/569488828.db2.gz WZWOCSDWRIPQES-FQEVSTJZSA-N 0 0 428.470 1.316 50 0 IDAARN COc1cc([C@H](C)NC(=O)c2ccc3c(n2)n(C)c(=O)n(C)c3=O)cc(OC)c1OC ZINC000040111776 569488872 /nfs/dbraw/zinc/48/88/72/569488872.db2.gz UIOVDZVKMPOOQT-NSHDSACASA-N 0 0 428.445 1.149 50 0 IDAARN COc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC000008944696 569488907 /nfs/dbraw/zinc/48/89/07/569488907.db2.gz NPVUNTHLXRBUPM-UHFFFAOYSA-N 0 0 435.546 1.611 50 0 IDAARN Cc1ccn2c(=O)cc(CS(=O)(=O)[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc2c1 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COC(=O)c1sccc1NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000040149929 569493105 /nfs/dbraw/zinc/49/31/05/569493105.db2.gz ZXTPOBRARDXJFI-UHFFFAOYSA-N 0 0 434.499 1.833 50 0 IDAARN C[C@H](Sc1nc[nH]n1)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000040152766 569493454 /nfs/dbraw/zinc/49/34/54/569493454.db2.gz WGVPPORTVSTFDP-NSHDSACASA-N 0 0 449.480 1.837 50 0 IDAARN COC(=O)c1cn([C@H]2CCCC[C@@H]2NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nn1 ZINC000040152509 569493499 /nfs/dbraw/zinc/49/34/99/569493499.db2.gz TUDJJWLHMPJTJQ-HOCLYGCPSA-N 0 0 446.508 1.262 50 0 IDAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C)C2=O ZINC000040153849 569493627 /nfs/dbraw/zinc/49/36/27/569493627.db2.gz NGSYSBYMLOIHKE-UHFFFAOYSA-N 0 0 431.470 1.570 50 0 IDAARN Cc1oc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000040153950 569493665 /nfs/dbraw/zinc/49/36/65/569493665.db2.gz OVSFLNCQZRIFJF-UHFFFAOYSA-N 0 0 446.573 1.925 50 0 IDAARN NC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)N4CCCC4)cc3)CC2)o1 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COc1ccccc1N1C[C@H](C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)CC1=O ZINC000009442509 569535538 /nfs/dbraw/zinc/53/55/38/569535538.db2.gz CJCMSBZZMWUNIZ-OAHLLOKOSA-N 0 0 426.425 1.636 50 0 IDAARN Cc1cccc(CSCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000009442554 569535568 /nfs/dbraw/zinc/53/55/68/569535568.db2.gz CLWNTLCMSYOAIB-UHFFFAOYSA-N 0 0 436.555 1.778 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000009449750 569536218 /nfs/dbraw/zinc/53/62/18/569536218.db2.gz GHJDHKYLSHCQGA-UHFFFAOYSA-N 0 0 426.502 1.508 50 0 IDAARN O=C(c1ccc(-n2cnnn2)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009450065 569536310 /nfs/dbraw/zinc/53/63/10/569536310.db2.gz DFLGPBIALHWBDF-UHFFFAOYSA-N 0 0 430.465 1.338 50 0 IDAARN CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC000009451595 569536411 /nfs/dbraw/zinc/53/64/11/569536411.db2.gz HGTJIEWQKQIMTM-LPHOPBHVSA-N 0 0 446.523 1.433 50 0 IDAARN Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009454982 569536691 /nfs/dbraw/zinc/53/66/91/569536691.db2.gz ABWNLMPRKFKMAV-UHFFFAOYSA-N 0 0 447.561 1.970 50 0 IDAARN CCCCn1c2c(c(=O)n(C)c1=O)[C@H](CC(=O)Nc1ccc(OC)c(OC)c1)C(=O)N2 ZINC000009460059 569536904 /nfs/dbraw/zinc/53/69/04/569536904.db2.gz FOJCRUCUMUASJN-ZDUSSCGKSA-N 0 0 430.461 1.429 50 0 IDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nc(-c3ccccc3)cn1N)C2=O ZINC000009464324 569537680 /nfs/dbraw/zinc/53/76/80/569537680.db2.gz BXSVWTNIWZTDQQ-UHFFFAOYSA-N 0 0 428.518 1.888 50 0 IDAARN CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000009464610 569537692 /nfs/dbraw/zinc/53/76/92/569537692.db2.gz MPTFCRRZNXUKDY-LJQANCHMSA-N 0 0 448.566 1.693 50 0 IDAARN CCOC(=O)C1=C(CSc2nnc(Cc3ccc(OC)cc3)n2N)NC(=O)N[C@@H]1C ZINC000009466823 569538271 /nfs/dbraw/zinc/53/82/71/569538271.db2.gz YJZQCBDWOVKFQV-LLVKDONJSA-N 0 0 432.506 1.202 50 0 IDAARN COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000009478522 569539384 /nfs/dbraw/zinc/53/93/84/569539384.db2.gz 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O=C([C@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009516134 569543457 /nfs/dbraw/zinc/54/34/57/569543457.db2.gz UJDKPIAGUWPAQN-OAQYLSRUSA-N 0 0 444.509 1.685 50 0 IDAARN O=C([C@@H]1Cc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009516135 569543467 /nfs/dbraw/zinc/54/34/67/569543467.db2.gz UJDKPIAGUWPAQN-NRFANRHFSA-N 0 0 444.509 1.685 50 0 IDAARN CC(C)Cc1nc(SCC(=O)NCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000009517418 569543612 /nfs/dbraw/zinc/54/36/12/569543612.db2.gz FYTINGOJZUKFNK-UHFFFAOYSA-N 0 0 427.530 1.634 50 0 IDAARN COc1cccc(NC(=O)CSc2nc(CC(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009517416 569543630 /nfs/dbraw/zinc/54/36/30/569543630.db2.gz PUCIKZHRDBFJGJ-UHFFFAOYSA-N 0 0 443.529 1.965 50 0 IDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)N2CCc4ccccc42)c3=O)cc1OC ZINC000009517847 569543871 /nfs/dbraw/zinc/54/38/71/569543871.db2.gz STGFEANDIUWUFX-UHFFFAOYSA-N 0 0 432.440 1.584 50 0 IDAARN CC(=O)Nc1nc(SCC(=O)N2CCOCC2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 ZINC000009518260 569544007 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1.696 50 0 IDAARN COc1ccc(N2C[C@@H](NC(=O)NC[C@@H]3COc4ccccc4O3)CC2=O)cc1OC ZINC000009568854 569547449 /nfs/dbraw/zinc/54/74/49/569547449.db2.gz BRMBBUSAHZTZOL-GOEBONIOSA-N 0 0 427.457 1.948 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 ZINC000009576407 569548042 /nfs/dbraw/zinc/54/80/42/569548042.db2.gz ZASADZFVPDMQOB-LJQANCHMSA-N 0 0 449.504 1.304 50 0 IDAARN Cc1ccccc1CNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccccc1 ZINC000009576790 569548120 /nfs/dbraw/zinc/54/81/20/569548120.db2.gz MBBRKTIIADLHNK-LJQANCHMSA-N 0 0 431.514 1.165 50 0 IDAARN Cc1cc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCc2ccccc2)ccc1F ZINC000009577819 569548212 /nfs/dbraw/zinc/54/82/12/569548212.db2.gz QQXANSBPTFGHPR-LJQANCHMSA-N 0 0 449.504 1.304 50 0 IDAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NC[C@H]1CCCO1 ZINC000009578381 569548328 /nfs/dbraw/zinc/54/83/28/569548328.db2.gz AMSUOWHXWXTYJL-MRXNPFEDSA-N 0 0 440.529 1.484 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)NC(=O)N[C@@H]1C ZINC000009579520 569548515 /nfs/dbraw/zinc/54/85/15/569548515.db2.gz CIIHJRJJHGHUGI-KGLIPLIRSA-N 0 0 445.472 1.418 50 0 IDAARN O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000009579781 569548581 /nfs/dbraw/zinc/54/85/81/569548581.db2.gz LVOPPQSXMCGXBB-UHFFFAOYSA-N 0 0 442.501 1.854 50 0 IDAARN CCCCn1c(N)c(N(CC(C)C)C(=O)COC(=O)c2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000009579757 569548601 /nfs/dbraw/zinc/54/86/01/569548601.db2.gz PTCXOARXAZKGOH-UHFFFAOYSA-N 0 0 446.504 1.774 50 0 IDAARN COc1ccc(-c2cc(=O)n(CCNC(=O)Cn3cnc4ccccc4c3=O)cn2)cc1 ZINC000070637529 569548953 /nfs/dbraw/zinc/54/89/53/569548953.db2.gz UPHZHHPYRCTZII-UHFFFAOYSA-N 0 0 431.452 1.445 50 0 IDAARN Cc1nccn1-c1ccc(=O)n(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000070641035 569549083 /nfs/dbraw/zinc/54/90/83/569549083.db2.gz LKUZMHGQKBZKJM-UHFFFAOYSA-N 0 0 427.408 1.735 50 0 IDAARN CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2c3nsnc3ccc2C)n1C ZINC000009581746 569549193 /nfs/dbraw/zinc/54/91/93/569549193.db2.gz MCQFUWAFZKYCMJ-UHFFFAOYSA-N 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Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(NS(C)(=O)=O)c3)n2)n1 ZINC000070655949 569550106 /nfs/dbraw/zinc/55/01/06/569550106.db2.gz IXBAZQYJQLKCDQ-CQSZACIVSA-N 0 0 430.490 1.617 50 0 IDAARN COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)cc1OC ZINC000009599426 569551279 /nfs/dbraw/zinc/55/12/79/569551279.db2.gz ANMQQCKMIHUSSB-UHFFFAOYSA-N 0 0 435.440 1.840 50 0 IDAARN CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009608446 569552137 /nfs/dbraw/zinc/55/21/37/569552137.db2.gz HUGCZHKPHXKZHD-UHFFFAOYSA-N 0 0 431.470 1.602 50 0 IDAARN COCCCNC(=O)Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCC3 ZINC000009615395 569553213 /nfs/dbraw/zinc/55/32/13/569553213.db2.gz YZDPLEJFWUVJMW-UHFFFAOYSA-N 0 0 427.526 1.914 50 0 IDAARN CN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 ZINC000009629992 569553623 /nfs/dbraw/zinc/55/36/23/569553623.db2.gz AUVOGOLFBDGLPD-UHFFFAOYSA-N 0 0 425.507 1.777 50 0 IDAARN CC[C@H](C)N(C(=O)COC(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009634663 569554511 /nfs/dbraw/zinc/55/45/11/569554511.db2.gz BKQNPAHAWGUXCE-ZFWWWQNUSA-N 0 0 431.532 1.061 50 0 IDAARN CCn1c(N)c(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(=O)[nH]c1=O ZINC000009634806 569554527 /nfs/dbraw/zinc/55/45/27/569554527.db2.gz JUBZCNRFCNZPIS-UHFFFAOYSA-N 0 0 445.863 1.385 50 0 IDAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000009646865 569556381 /nfs/dbraw/zinc/55/63/81/569556381.db2.gz WDFWARVILOCNKT-HDICACEKSA-N 0 0 433.530 1.995 50 0 IDAARN Cc1ccc(S(=O)(=O)n2ccn(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000009660474 569556814 /nfs/dbraw/zinc/55/68/14/569556814.db2.gz NESYJOYOVWANDC-UHFFFAOYSA-N 0 0 429.454 1.605 50 0 IDAARN O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)NCc1ccco1 ZINC000009660637 569556870 /nfs/dbraw/zinc/55/68/70/569556870.db2.gz LSHHCKUJTDRTDY-UHFFFAOYSA-N 0 0 434.408 1.245 50 0 IDAARN CCN(C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009665596 569557604 /nfs/dbraw/zinc/55/76/04/569557604.db2.gz RVAVOCWUGQBIKN-VBKZILBWSA-N 0 0 433.486 1.235 50 0 IDAARN C[C@H](OC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009666215 569557670 /nfs/dbraw/zinc/55/76/70/569557670.db2.gz CWMRTBWTJWTHNW-ZYSHUDEJSA-N 0 0 443.500 1.569 50 0 IDAARN Cc1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 ZINC000009666257 569557718 /nfs/dbraw/zinc/55/77/18/569557718.db2.gz GBKUWNBRFZMRDE-UHFFFAOYSA-N 0 0 436.461 1.951 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1 ZINC000009666721 569557787 /nfs/dbraw/zinc/55/77/87/569557787.db2.gz AWYRWAUSVSHRCQ-UHFFFAOYSA-N 0 0 440.525 1.628 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009667408 569557860 /nfs/dbraw/zinc/55/78/60/569557860.db2.gz HYYUBUBMTPAPNC-SFHVURJKSA-N 0 0 431.514 1.726 50 0 IDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc(F)cc3)c2N)cc1OC ZINC000009678055 569559595 /nfs/dbraw/zinc/55/95/95/569559595.db2.gz LZRIUWYRPHIQQU-UHFFFAOYSA-N 0 0 428.424 1.585 50 0 IDAARN CCOC(=O)C1=C(COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)NC(=O)N[C@H]1C ZINC000009683199 569560362 /nfs/dbraw/zinc/56/03/62/569560362.db2.gz PNMPKEIKCLHJNG-PRWKNARSSA-N 0 0 431.470 1.677 50 0 IDAARN COc1cccc(NS(=O)(=O)c2ccc3c(c2)OC[C@@H](C(=O)N2CCOCC2)O3)c1 ZINC000009683754 569560448 /nfs/dbraw/zinc/56/04/48/569560448.db2.gz QUMVKDWOKURXBO-IBGZPJMESA-N 0 0 434.470 1.495 50 0 IDAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OC[C@@H](C(=O)N1CCOCC1)O2 ZINC000009683769 569560450 /nfs/dbraw/zinc/56/04/50/569560450.db2.gz MVNXEOYAEBSLGS-FQEVSTJZSA-N 0 0 432.498 1.506 50 0 IDAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCOCC2)O3)cc1 ZINC000009683757 569560460 /nfs/dbraw/zinc/56/04/60/569560460.db2.gz JSNTYWCEZZKZLN-LJQANCHMSA-N 0 0 434.470 1.495 50 0 IDAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC2(CC1)OCCO2 ZINC000009688756 569560827 /nfs/dbraw/zinc/56/08/27/569560827.db2.gz DZCBCQHVYQIZIL-UHFFFAOYSA-N 0 0 432.502 1.000 50 0 IDAARN CCOC(=O)CN1c2ccccc2[C@]2(c3c(C)[nH]nc3OC(N)=C2C(=O)OCC)C1=O ZINC000009695240 569561172 /nfs/dbraw/zinc/56/11/72/569561172.db2.gz SAJKIRDNQSYBRS-OAQYLSRUSA-N 0 0 426.429 1.040 50 0 IDAARN CNS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000009703887 569561398 /nfs/dbraw/zinc/56/13/98/569561398.db2.gz SAYFVFMSRBDELX-UHFFFAOYSA-N 0 0 449.510 1.919 50 0 IDAARN CCn1c(CSc2nnnn2C2CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009712037 569562121 /nfs/dbraw/zinc/56/21/21/569562121.db2.gz IKQYOMDJUJYGBN-UHFFFAOYSA-N 0 0 449.562 1.691 50 0 IDAARN COC(=O)CCn1c(=O)c2c(nc3n2cc(C)n3-c2cc(OC)ccc2OC)n(C)c1=O ZINC000009713110 569562498 /nfs/dbraw/zinc/56/24/98/569562498.db2.gz LCNKDSUBWUOTPQ-UHFFFAOYSA-N 0 0 441.444 1.027 50 0 IDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccncc1 ZINC000009715297 569563073 /nfs/dbraw/zinc/56/30/73/569563073.db2.gz NTBROGCOXBLAEP-INIZCTEOSA-N 0 0 436.559 1.509 50 0 IDAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009724986 569563773 /nfs/dbraw/zinc/56/37/73/569563773.db2.gz YRDDBHRDOCROBQ-INIZCTEOSA-N 0 0 428.466 1.966 50 0 IDAARN CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009725938 569563854 /nfs/dbraw/zinc/56/38/54/569563854.db2.gz UGGVVRPNSKLSNI-UHFFFAOYSA-N 0 0 445.497 1.565 50 0 IDAARN NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009726554 569563962 /nfs/dbraw/zinc/56/39/62/569563962.db2.gz JPZLONWMUAPQAV-UHFFFAOYSA-N 0 0 447.469 1.316 50 0 IDAARN Cn1c2ncn(CC(=O)NCC(C)(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000009731684 569564664 /nfs/dbraw/zinc/56/46/64/569564664.db2.gz LDRZFNPOGNXWIH-UHFFFAOYSA-N 0 0 431.496 1.556 50 0 IDAARN CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)s1 ZINC000009748326 569565898 /nfs/dbraw/zinc/56/58/98/569565898.db2.gz SKHLASHGSWEMSC-UHFFFAOYSA-N 0 0 437.543 1.157 50 0 IDAARN CC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000009764160 569566679 /nfs/dbraw/zinc/56/66/79/569566679.db2.gz ODQTXOYZZFLIOU-NRFANRHFSA-N 0 0 443.525 1.216 50 0 IDAARN C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000009782507 569567737 /nfs/dbraw/zinc/56/77/37/569567737.db2.gz VXPYBMAIQKIYMF-SNVBAGLBSA-N 0 0 426.304 1.972 50 0 biogenic IDAARN C[C@H](CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Br ZINC000009782447 569567762 /nfs/dbraw/zinc/56/77/62/569567762.db2.gz LOLZBFAKDQDLIL-LLVKDONJSA-N 0 0 436.310 1.427 50 0 biogenic IDAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)[C@@H]1C ZINC000009787897 569567923 /nfs/dbraw/zinc/56/79/23/569567923.db2.gz KGQXZKRTRFWWPN-INMHGKMJSA-N 0 0 435.546 1.989 50 0 IDAARN Cn1nc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c2ccccc2c1=O ZINC000009797205 569568501 /nfs/dbraw/zinc/56/85/01/569568501.db2.gz KSKRQWHIMPIKIL-OAHLLOKOSA-N 0 0 445.479 1.991 50 0 IDAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2F)cc1 ZINC000009806282 569568895 /nfs/dbraw/zinc/56/88/95/569568895.db2.gz UMGYQVAZGIDUSY-QGZVFWFLSA-N 0 0 433.505 1.720 50 0 IDAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCC2=CCCCC2)cc1 ZINC000009806703 569568938 /nfs/dbraw/zinc/56/89/38/569568938.db2.gz TUZIXLYMHGRFHT-GOSISDBHSA-N 0 0 449.573 1.971 50 0 IDAARN O=C(NCCCc1ccccc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000009806966 569568942 /nfs/dbraw/zinc/56/89/42/569568942.db2.gz DQAHRALWNACSFD-QGZVFWFLSA-N 0 0 435.571 1.766 50 0 IDAARN CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1nnnn1C ZINC000009814961 569569132 /nfs/dbraw/zinc/56/91/32/569569132.db2.gz JZUGEOWTKPGAFZ-UHFFFAOYSA-N 0 0 430.490 1.710 50 0 IDAARN Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)-c2ccccc2CC3)c(=O)n(C)c1=O ZINC000009814988 569569134 /nfs/dbraw/zinc/56/91/34/569569134.db2.gz GKDBPSGSKBLITM-UHFFFAOYSA-N 0 0 425.466 1.533 50 0 IDAARN Cn1cc(C(=O)NCCCN2CCCC2=O)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000009820098 569569362 /nfs/dbraw/zinc/56/93/62/569569362.db2.gz AHMHXAJBKSKFQU-UHFFFAOYSA-N 0 0 443.891 1.413 50 0 IDAARN CCOC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(F)cc2)n(C)c1=O ZINC000009829495 569570134 /nfs/dbraw/zinc/57/01/34/569570134.db2.gz ORBDCOAYFHNJOI-UHFFFAOYSA-N 0 0 427.436 1.848 50 0 IDAARN CCOc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 ZINC000009829493 569570135 /nfs/dbraw/zinc/57/01/35/569570135.db2.gz MQFJHKXTYMQJEU-UHFFFAOYSA-N 0 0 425.445 1.327 50 0 IDAARN Cn1c(-c2ccc3c(c2)OCO3)cnc1NC(=O)CCC(=O)N1CCC(C(N)=O)CC1 ZINC000009851546 569571421 /nfs/dbraw/zinc/57/14/21/569571421.db2.gz ITXYFYJPRSROBQ-UHFFFAOYSA-N 0 0 427.461 1.258 50 0 IDAARN CS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)ccc21 ZINC000009862607 569572070 /nfs/dbraw/zinc/57/20/70/569572070.db2.gz HDLVKIPCHOELAG-QFIPXVFZSA-N 0 0 439.493 1.585 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@H]1C[C@@H](C)OC1=O ZINC000009871098 569572357 /nfs/dbraw/zinc/57/23/57/569572357.db2.gz PSNHWDGNPIRIHB-WBMJQRKESA-N 0 0 425.532 1.873 50 0 IDAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@H]1C[C@H](C)OC1=O ZINC000009871084 569572394 /nfs/dbraw/zinc/57/23/94/569572394.db2.gz PSNHWDGNPIRIHB-LRDDRELGSA-N 0 0 425.532 1.873 50 0 IDAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1S(=O)(=O)N(C)C ZINC000009898776 569572993 /nfs/dbraw/zinc/57/29/93/569572993.db2.gz UVJLURZMEVDKOZ-FQEVSTJZSA-N 0 0 442.541 1.782 50 0 IDAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009913417 569573316 /nfs/dbraw/zinc/57/33/16/569573316.db2.gz HROQYRRSXKIQKF-UHFFFAOYSA-N 0 0 443.525 1.764 50 0 IDAARN O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2)NC[C@H]1CCCO1 ZINC000071280389 569573633 /nfs/dbraw/zinc/57/36/33/569573633.db2.gz FLNLYNCHYZOHMN-CYBMUJFWSA-N 0 0 436.266 1.091 50 0 IDAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000009948888 569574140 /nfs/dbraw/zinc/57/41/40/569574140.db2.gz BUCLZGDQOVSCCK-VGOFRKELSA-N 0 0 445.541 1.338 50 0 IDAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009950791 569574377 /nfs/dbraw/zinc/57/43/77/569574377.db2.gz XCRVCZJQIQEPSY-UHFFFAOYSA-N 0 0 429.498 1.852 50 0 IDAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009956405 569574756 /nfs/dbraw/zinc/57/47/56/569574756.db2.gz BAJBRQRAJSBGLL-UHFFFAOYSA-N 0 0 438.527 1.504 50 0 IDAARN O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000009958700 569574919 /nfs/dbraw/zinc/57/49/19/569574919.db2.gz FLRKGJXEZVWTFM-SFHVURJKSA-N 0 0 428.470 1.536 50 0 IDAARN CCCCn1nnnc1COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000009959081 569575093 /nfs/dbraw/zinc/57/50/93/569575093.db2.gz QOWYIHCHYJZZDN-UHFFFAOYSA-N 0 0 433.465 1.076 50 0 IDAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(N)=O)C1 ZINC000009960223 569575364 /nfs/dbraw/zinc/57/53/64/569575364.db2.gz LWFUOZFUNJLZFH-UHFFFAOYSA-N 0 0 442.497 1.273 50 0 IDAARN COc1ccc(NC(=O)Cn2nc3c(N4CCC[C@@H](C)C4)nccn3c2=O)c(OC)c1 ZINC000071328208 569575506 /nfs/dbraw/zinc/57/55/06/569575506.db2.gz DZEQVLQPVBYHCK-CQSZACIVSA-N 0 0 426.477 1.783 50 0 IDAARN COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000009963897 569575858 /nfs/dbraw/zinc/57/58/58/569575858.db2.gz XFDPYTRDJMPNFJ-UHFFFAOYSA-N 0 0 436.486 1.986 50 0 IDAARN COc1ccc(NCCN2N=C(C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Cl ZINC000010108789 569577909 /nfs/dbraw/zinc/57/79/09/569577909.db2.gz OSOMAXJXANILPI-UHFFFAOYSA-N 0 0 431.884 1.404 50 0 IDAARN COc1ccc(Cl)cc1NCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010108894 569577955 /nfs/dbraw/zinc/57/79/55/569577955.db2.gz NNCBONNRTOLQKR-LBPRGKRZSA-N 0 0 445.911 1.965 50 0 IDAARN Cc1c(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000010188057 569578823 /nfs/dbraw/zinc/57/88/23/569578823.db2.gz PDRDKIWWNLQUJC-UHFFFAOYSA-N 0 0 440.481 1.658 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1CCOCCO ZINC000010233365 569579560 /nfs/dbraw/zinc/57/95/60/569579560.db2.gz RMBAHFQPYWLODY-UHFFFAOYSA-N 0 0 425.489 1.132 50 0 IDAARN Cc1cn2c(nc3c2c(=O)n(Cc2cccc4ccccc42)c(=O)n3C)n1CCOCCO ZINC000010233378 569579567 /nfs/dbraw/zinc/57/95/67/569579567.db2.gz PKJIWYIBLRUJAM-UHFFFAOYSA-N 0 0 447.495 1.668 50 0 IDAARN Cc1c(C)n2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1CCOCCO ZINC000010233646 569579648 /nfs/dbraw/zinc/57/96/48/569579648.db2.gz XDIVUHFASATSHZ-UHFFFAOYSA-N 0 0 439.516 1.408 50 0 IDAARN O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000010251347 569579877 /nfs/dbraw/zinc/57/98/77/569579877.db2.gz FCLWBCSDNSRKCF-CQSZACIVSA-N 0 0 432.415 1.845 50 0 IDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 ZINC000010250945 569579880 /nfs/dbraw/zinc/57/98/80/569579880.db2.gz RRAOGGNWZDHSBE-UHFFFAOYSA-N 0 0 446.533 1.762 50 0 IDAARN O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)NCc1ccc2c(c1)OCO2 ZINC000010256823 569579940 /nfs/dbraw/zinc/57/99/40/569579940.db2.gz RHFINFWTHVMSCO-UHFFFAOYSA-N 0 0 431.514 1.642 50 0 IDAARN Cn1c2nc(NCc3ccco3)n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000010274102 569580331 /nfs/dbraw/zinc/58/03/31/569580331.db2.gz JCZACKVTYCAFSI-ZDUSSCGKSA-N 0 0 445.863 1.722 50 0 IDAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000010299495 569580604 /nfs/dbraw/zinc/58/06/04/569580604.db2.gz YNPGEXJPAGCSDL-UHFFFAOYSA-N 0 0 426.489 1.781 50 0 IDAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2N)cc1 ZINC000071772072 569580923 /nfs/dbraw/zinc/58/09/23/569580923.db2.gz JWHAWDBMLHBHRA-UHFFFAOYSA-N 0 0 443.485 1.456 50 0 IDAARN Cc1cccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000010386234 569581737 /nfs/dbraw/zinc/58/17/37/569581737.db2.gz JKSQNBISEOIHMB-KRWDZBQOSA-N 0 0 441.532 1.927 50 0 IDAARN Cc1cccc(OC[C@H](O)Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000010386236 569581784 /nfs/dbraw/zinc/58/17/84/569581784.db2.gz CSYSNLFOGBBOKG-OAHLLOKOSA-N 0 0 439.472 1.387 50 0 IDAARN Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000010386672 569581807 /nfs/dbraw/zinc/58/18/07/569581807.db2.gz PPRYWMFWHPOZFP-UHFFFAOYSA-N 0 0 438.527 1.672 50 0 IDAARN CCOC(=O)Cc1csc(NC(=O)CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)n1 ZINC000101413571 569584090 /nfs/dbraw/zinc/58/40/90/569584090.db2.gz PLHFVCVNUQGRTQ-MRXNPFEDSA-N 0 0 442.497 1.839 50 0 IDAARN COCCn1nnn(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000077100159 569585307 /nfs/dbraw/zinc/58/53/07/569585307.db2.gz XPWGTHMZHQDKAV-UHFFFAOYSA-N 0 0 443.407 1.895 50 0 IDAARN O=C(Cn1nnn(-c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)c1=O)NC1CC1 ZINC000077100244 569585341 /nfs/dbraw/zinc/58/53/41/569585341.db2.gz PCNLELYYDNPOJR-UHFFFAOYSA-N 0 0 437.416 1.080 50 0 IDAARN O=C(Cn1cc(-c2nc(-c3cnccn3)no2)ccc1=O)Nc1ccc2c(c1)OCCO2 ZINC000077100677 569585452 /nfs/dbraw/zinc/58/54/52/569585452.db2.gz USQAIKDWNLXTBW-UHFFFAOYSA-N 0 0 432.396 1.765 50 0 IDAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 ZINC000077101321 569585591 /nfs/dbraw/zinc/58/55/91/569585591.db2.gz LOSGGERKINQHBB-UHFFFAOYSA-N 0 0 428.470 1.268 50 0 IDAARN CNC(=O)c1cccc(-c2noc(C3CN(CC(=O)Nc4ccc5c(c4)OCO5)C3)n2)c1 ZINC000077191182 569585936 /nfs/dbraw/zinc/58/59/36/569585936.db2.gz IDANRKHKDQLJKM-UHFFFAOYSA-N 0 0 435.440 1.863 50 0 IDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 ZINC000077192042 569586029 /nfs/dbraw/zinc/58/60/29/569586029.db2.gz XYLHRDCYBFKFEM-HNNXBMFYSA-N 0 0 428.470 1.753 50 0 IDAARN O=c1n(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)nc(C2CC2)n1-c1ccccc1 ZINC000077198165 569586285 /nfs/dbraw/zinc/58/62/85/569586285.db2.gz XNUGHKAQMOYRMD-UHFFFAOYSA-N 0 0 442.497 1.661 50 0 IDAARN COC(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000077200060 569586300 /nfs/dbraw/zinc/58/63/00/569586300.db2.gz PSYGWEHMRBGPDS-KRWDZBQOSA-N 0 0 425.482 1.128 50 0 IDAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccco1 ZINC000077200671 569586512 /nfs/dbraw/zinc/58/65/12/569586512.db2.gz DOICFYFDVPUMJF-KRWDZBQOSA-N 0 0 427.548 1.791 50 0 IDAARN COCCN(Cc1ccncc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000077200815 569586535 /nfs/dbraw/zinc/58/65/35/569586535.db2.gz SDQAMCWBBKXTPH-UHFFFAOYSA-N 0 0 439.559 1.849 50 0 IDAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(c3ccc(N4CCOCC4)nn3)C2)CC1 ZINC000033261593 569587442 /nfs/dbraw/zinc/58/74/42/569587442.db2.gz MBSOFIBJQXXZJI-SFHVURJKSA-N 0 0 431.537 1.331 50 0 IDAARN CCOC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677247 569587535 /nfs/dbraw/zinc/58/75/35/569587535.db2.gz WTXTTXIFBHBWRS-FQEVSTJZSA-N 0 0 428.533 1.931 50 0 IDAARN