smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1 ZINC000001053526 219359451 /nfs/dbraw/zinc/35/94/51/219359451.db2.gz SDHDLQIGTVZSAE-MHWRWJLKSA-N 0 0 371.234 3.850 40 0 FHABRN O=C(NCc1ccccc1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000005002856 219637691 /nfs/dbraw/zinc/63/76/91/219637691.db2.gz TWSUZVMOEXAHRY-RCCKNPSSSA-N 0 0 374.415 3.913 40 0 FHABRN Cc1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1F ZINC000329022674 203846758 /nfs/dbraw/zinc/84/67/58/203846758.db2.gz OPEHVRXKUFNRJP-UHFFFAOYSA-N 0 0 354.351 3.885 40 0 FHABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(NC[C@@H]3CCCO3)n2)c1 ZINC000328981792 203845130 /nfs/dbraw/zinc/84/51/30/203845130.db2.gz GWLWIPPILXEVNX-LBPRGKRZSA-N 0 0 357.763 3.829 40 0 FHABRN CC[C@H](C)Nc1nc(Nc2c(F)cc(F)cc2F)cc(-c2ccncc2)n1 ZINC000329002817 203845275 /nfs/dbraw/zinc/84/52/75/203845275.db2.gz KJJGPMIUKYTJDZ-NSHDSACASA-N 0 0 373.382 3.754 40 0 FHABRN O=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 ZINC000005768537 203812495 /nfs/dbraw/zinc/81/24/95/203812495.db2.gz VJASHQPJHMRFLX-UHFFFAOYSA-N 0 0 356.134 3.822 40 0 FHABRN CC(C)(C)Nc1nc(NC(=O)c2ccc(N)cc2)cc(-c2ccccc2)n1 ZINC000329068321 203850471 /nfs/dbraw/zinc/85/04/71/203850471.db2.gz YPIUFKBRJYBDPI-UHFFFAOYSA-N 0 0 361.449 3.610 40 0 FHABRN CC(C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329066856 203850640 /nfs/dbraw/zinc/85/06/40/203850640.db2.gz YDHXIXKEBAGGOB-UHFFFAOYSA-N 0 0 357.820 3.739 40 0 FHABRN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1N ZINC000020344977 203874972 /nfs/dbraw/zinc/87/49/72/203874972.db2.gz GRSKNTJMYJYYDB-SECBINFHSA-N 0 0 355.221 3.990 40 0 FHABRN Cc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)c1 ZINC000000954667 203966826 /nfs/dbraw/zinc/96/68/26/203966826.db2.gz JSHNFYCAAFCRNQ-LJQANCHMSA-N 0 0 359.433 3.823 40 0 FHABRN CCOc1ccc(-c2nnc(SCc3ccc(C)c(C)c3)n2N)cc1 ZINC000002389766 204036574 /nfs/dbraw/zinc/03/65/74/204036574.db2.gz BLUYYIGGIOFKAM-UHFFFAOYSA-N 0 0 354.479 3.967 40 0 FHABRN Cc1ccc(C(=O)N[C@H](NC(=O)Nc2ccccc2F)C(F)(F)F)cc1 ZINC000001440447 204006638 /nfs/dbraw/zinc/00/66/38/204006638.db2.gz YIEONCNDGXOEMM-OAHLLOKOSA-N 0 0 369.318 3.574 40 0 FHABRN CC(C)SC(C[C@@H](O)[C@H](O)COC(=O)c1ccccc1)SC(C)C ZINC000001593143 204013576 /nfs/dbraw/zinc/01/35/76/204013576.db2.gz ABJDSNOICVLRLJ-HZPDHXFCSA-N 0 0 372.552 3.565 40 0 FHABRN CC1=C(C(=O)N(C)c2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1 ZINC000001622711 204014542 /nfs/dbraw/zinc/01/45/42/204014542.db2.gz ANQVCFBUWJYKTI-UHFFFAOYSA-N 0 0 369.870 3.863 40 0 FHABRN Cc1cc(-c2ccc(NC(=O)N3CC3)c(C)c2)ccc1NC(=O)N1CC1 ZINC000001628287 204014563 /nfs/dbraw/zinc/01/45/63/204014563.db2.gz FMDPSTITBZDRNU-UHFFFAOYSA-N 0 0 350.422 3.665 40 0 FHABRN O=C(CCCCC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000001668673 204015844 /nfs/dbraw/zinc/01/58/44/204015844.db2.gz VKIPBZQTPRVXPC-UHFFFAOYSA-N 0 0 354.358 3.770 40 0 FHABRN O=C(COc1ccc(Cl)cc1)OCc1cc2c(cc1Cl)OCO2 ZINC000001677451 204016413 /nfs/dbraw/zinc/01/64/13/204016413.db2.gz BYINWSRXTYPSLP-UHFFFAOYSA-N 0 0 355.173 3.844 40 0 FHABRN CC[NH+](CC)CC[C@@](O)(Cc1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000001681789 204017123 /nfs/dbraw/zinc/01/71/23/204017123.db2.gz ALJWAWZTLYHUER-RBBKRZOGSA-N 0 0 355.478 3.561 40 0 FHABRN CCOC(=O)C=C(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000001704085 204017317 /nfs/dbraw/zinc/01/73/17/204017317.db2.gz QYMOELWCJFCHOU-UHFFFAOYSA-N 0 0 372.417 3.716 40 0 FHABRN CCCOC(=O)c1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 ZINC000001770916 204017956 /nfs/dbraw/zinc/01/79/56/204017956.db2.gz IHTLCXDXZUISPB-RTWAWAEBSA-N 0 0 357.450 3.977 40 0 FHABRN COc1ccc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 ZINC000001780510 204019651 /nfs/dbraw/zinc/01/96/51/204019651.db2.gz PXRSQOQIRCMGBC-WEVVVXLNSA-N 0 0 366.369 3.737 40 0 FHABRN CCOC(=O)c1c2c(sc1NC(=O)c1noc3c1CCCC3)CCCC2 ZINC000002498127 204042811 /nfs/dbraw/zinc/04/28/11/204042811.db2.gz TUEBDYMXJNRZJN-UHFFFAOYSA-N 0 0 374.462 3.923 40 0 FHABRN Cc1ccc(C)c(OCCCC(=O)Nc2nnc([C@H]3CCCO3)s2)c1 ZINC000001903956 204022034 /nfs/dbraw/zinc/02/20/34/204022034.db2.gz GQCVPWJLZDJNKC-CQSZACIVSA-N 0 0 361.467 3.804 40 0 FHABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 ZINC000003072855 204076576 /nfs/dbraw/zinc/07/65/76/204076576.db2.gz BUVDEDVCOGXMSB-CYBMUJFWSA-N 0 0 373.250 3.749 40 0 FHABRN O=C(NCCc1ccc(CCNC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000003845567 204112310 /nfs/dbraw/zinc/11/23/10/204112310.db2.gz QUGCNWDBVRHBQE-UHFFFAOYSA-N 0 0 372.468 3.632 40 0 FHABRN O=C(c1ccccc1Cl)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000004163598 204124826 /nfs/dbraw/zinc/12/48/26/204124826.db2.gz LETUVIFYFAIFPM-ABAIWWIYSA-N 0 0 360.763 3.983 40 0 FHABRN Cc1ccc(C(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)c2)cc1C ZINC000004603161 204150557 /nfs/dbraw/zinc/15/05/57/204150557.db2.gz GSIUFUBNIGAUMP-GQSCTRQFSA-N 0 0 371.436 3.846 40 0 FHABRN CCCCOP(=O)(OCCCC)[C@H](CC(=O)OCC)C(=O)OCC ZINC000004691824 204155339 /nfs/dbraw/zinc/15/53/39/204155339.db2.gz QBEFPXQICQAOSO-CQSZACIVSA-N 0 0 366.391 3.698 40 0 FHABRN CCCCN(c1ccc(Br)cc1)c1nc(N)nc(N)c1N=O ZINC000004707910 204156539 /nfs/dbraw/zinc/15/65/39/204156539.db2.gz NHLYAVPXLCJHTE-UHFFFAOYSA-N 0 0 365.235 3.740 40 0 FHABRN Cc1ccccc1C(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O ZINC000004777179 204163071 /nfs/dbraw/zinc/16/30/71/204163071.db2.gz FPCMQDXIRXFBQC-MRXNPFEDSA-N 0 0 357.413 3.950 40 0 FHABRN O=c1[nH]c2c(s1)[C@@H]1c3ccccc3OC(=O)[C@H]1[C@H](c1ccccc1)S2 ZINC000004279891 204129959 /nfs/dbraw/zinc/12/99/59/204129959.db2.gz QBSQXDUSRCMDLO-KFWWJZLASA-N 0 0 367.451 3.951 40 0 FHABRN O=c1[nH]c2c(s1)[C@@H]1c3ccccc3OC(=O)[C@@H]1[C@H](c1ccccc1)S2 ZINC000004279889 204130328 /nfs/dbraw/zinc/13/03/28/204130328.db2.gz QBSQXDUSRCMDLO-ILXRZTDVSA-N 0 0 367.451 3.951 40 0 FHABRN COc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1C ZINC000004349049 204134510 /nfs/dbraw/zinc/13/45/10/204134510.db2.gz PYWGEQMZEYKAHN-UHFFFAOYSA-N 0 0 356.374 3.803 40 0 FHABRN Cc1ccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 ZINC000004375272 204136013 /nfs/dbraw/zinc/13/60/13/204136013.db2.gz GJACQZJQFXJJLT-UHFFFAOYSA-N 0 0 351.450 3.730 40 0 FHABRN CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@@H]2C1=O ZINC000004436332 204138182 /nfs/dbraw/zinc/13/81/82/204138182.db2.gz QUGHVESQNBDHPS-FYXYJPLOSA-N 0 0 365.429 3.546 40 0 FHABRN O=C([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000004399350 204138989 /nfs/dbraw/zinc/13/89/89/204138989.db2.gz PPNBMQUTFASJPB-SJORKVTESA-N 0 0 360.251 3.749 40 0 FHABRN CCCSc1nnc2c(n1)O[C@H](c1cccn1C)Nc1ccccc1-2 ZINC000005583624 204217060 /nfs/dbraw/zinc/21/70/60/204217060.db2.gz JNPYHPJPTUQUPW-MRXNPFEDSA-N 0 0 353.451 3.882 40 0 FHABRN O[C@@H](COCCOCCSc1ccccc1)CSc1ccccc1 ZINC000005604177 204217679 /nfs/dbraw/zinc/21/76/79/204217679.db2.gz FYTSIXMZIMKXCT-KRWDZBQOSA-N 0 0 364.532 3.965 40 0 FHABRN COc1ccc(OCC(=O)NCc2cc3cc(Cl)ccc3n2C)cc1 ZINC000004973503 204182399 /nfs/dbraw/zinc/18/23/99/204182399.db2.gz OARVVIGXCXLERP-UHFFFAOYSA-N 0 0 358.825 3.536 40 0 FHABRN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000005045352 204187278 /nfs/dbraw/zinc/18/72/78/204187278.db2.gz DSSABWIXLHYFOQ-CQSZACIVSA-N 0 0 365.458 3.865 40 0 FHABRN COC(=O)[C@H]1[C@H]2C=C[C@H](C2=C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)OC ZINC000005051892 204187774 /nfs/dbraw/zinc/18/77/74/204187774.db2.gz AZIKIWQXQHLYQD-UDKICSLYSA-N 0 0 374.436 3.883 40 0 FHABRN Cc1ccccc1CNC(=O)c1cccc(I)c1 ZINC000005089827 204191053 /nfs/dbraw/zinc/19/10/53/204191053.db2.gz AJDCRGHDJYSXSD-UHFFFAOYSA-N 0 0 351.187 3.530 40 0 FHABRN O=S(=O)(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1 ZINC000005681620 204220656 /nfs/dbraw/zinc/22/06/56/204220656.db2.gz ACGFTZWGKHQMRF-UHFFFAOYSA-N 0 0 351.387 3.691 40 0 FHABRN Cc1ccccc1NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000035289004 204222060 /nfs/dbraw/zinc/22/20/60/204222060.db2.gz JDFNOOVBEHZWNY-UHFFFAOYSA-N 0 0 355.413 3.560 40 0 FHABRN COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C)cc1 ZINC000035289392 204222943 /nfs/dbraw/zinc/22/29/43/204222943.db2.gz XZBKNLXAAQTMDM-GOSISDBHSA-N 0 0 353.422 3.639 40 0 FHABRN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 ZINC000035289383 204223351 /nfs/dbraw/zinc/22/33/51/204223351.db2.gz OHABEKVBSOOCLT-GOSISDBHSA-N 0 0 353.422 3.639 40 0 FHABRN COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000035289391 204223708 /nfs/dbraw/zinc/22/37/08/204223708.db2.gz XZBKNLXAAQTMDM-SFHVURJKSA-N 0 0 353.422 3.639 40 0 FHABRN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000005872452 204228275 /nfs/dbraw/zinc/22/82/75/204228275.db2.gz TVJMOINOZFDZIT-UHFFFAOYSA-N 0 0 367.323 3.934 40 0 FHABRN CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccccc1 ZINC000005979177 204233477 /nfs/dbraw/zinc/23/34/77/204233477.db2.gz JNAXCQWBDCAXSE-UHFFFAOYSA-N 0 0 374.506 3.768 40 0 FHABRN CC(C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000006050100 204234322 /nfs/dbraw/zinc/23/43/22/204234322.db2.gz LUOXNXNDHMKGNT-UHFFFAOYSA-N 0 0 356.245 3.686 40 0 FHABRN O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)C1CCC1 ZINC000035316043 204238278 /nfs/dbraw/zinc/23/82/78/204238278.db2.gz YCHVHAUKIXQXLV-UHFFFAOYSA-N 0 0 367.474 3.848 40 0 FHABRN CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)cc1 ZINC000035314636 204238287 /nfs/dbraw/zinc/23/82/87/204238287.db2.gz ZJXRIFJEQMZJCM-GOSISDBHSA-N 0 0 351.406 3.524 40 0 FHABRN O=C(Nc1ccc(NC(=O)c2cccc3nccnc32)cc1)c1ccccn1 ZINC000035311257 204239716 /nfs/dbraw/zinc/23/97/16/204239716.db2.gz QAKOBHRZROPLKD-UHFFFAOYSA-N 0 0 369.384 3.529 40 0 FHABRN O=C(OCc1ccc(I)cc1)c1ccccc1F ZINC000006251770 204242407 /nfs/dbraw/zinc/24/24/07/204242407.db2.gz ZEJSQPZNZIQFGE-UHFFFAOYSA-N 0 0 356.134 3.787 40 0 FHABRN CCOc1ccc(/C=C2\NC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000006538205 204252418 /nfs/dbraw/zinc/25/24/18/204252418.db2.gz CHDLEHZYNFGOJE-AQTBWJFISA-N 0 0 368.458 3.746 40 0 FHABRN CC(C)c1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1 ZINC000006616962 204257614 /nfs/dbraw/zinc/25/76/14/204257614.db2.gz IIJCXRQMGKKPRD-DOTOQJQBSA-N 0 0 351.450 3.623 40 0 FHABRN O=C(Nc1ccc(Br)cc1)c1cnn(Cc2ccccc2)c1 ZINC000007069719 204288730 /nfs/dbraw/zinc/28/87/30/204288730.db2.gz PFFILDBFJOHFIY-UHFFFAOYSA-N 0 0 356.223 3.946 40 0 FHABRN Cc1cccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)c1 ZINC000007212838 204291740 /nfs/dbraw/zinc/29/17/40/204291740.db2.gz WKNNYSXSXVGJPV-CQSZACIVSA-N 0 0 359.223 3.502 40 0 FHABRN CC(C)(C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000006708086 204262622 /nfs/dbraw/zinc/26/26/22/204262622.db2.gz UAZWRXFFOLVAEC-UHFFFAOYSA-N 0 0 356.447 3.840 40 0 FHABRN O=C(COc1ccc(Cl)cc1)NCCSCc1ccccc1F ZINC000007637915 204302112 /nfs/dbraw/zinc/30/21/12/204302112.db2.gz LTGUKQABCMKBCM-UHFFFAOYSA-N 0 0 353.846 3.908 40 0 FHABRN Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000007721061 204304482 /nfs/dbraw/zinc/30/44/82/204304482.db2.gz HJJLBPRNUYOZPD-UHFFFAOYSA-N 0 0 371.824 3.736 40 0 FHABRN CCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000007759587 204306151 /nfs/dbraw/zinc/30/61/51/204306151.db2.gz XBXXSSRKNOEESK-UHFFFAOYSA-N 0 0 365.433 3.645 40 0 FHABRN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 ZINC000008376729 204328372 /nfs/dbraw/zinc/32/83/72/204328372.db2.gz KDVXRJUMOCEAGV-UHFFFAOYSA-N 0 0 369.229 3.849 40 0 FHABRN COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)o2)cc1 ZINC000009199038 204358063 /nfs/dbraw/zinc/35/80/63/204358063.db2.gz NAXDSXQUCKTSSQ-UHFFFAOYSA-N 0 0 369.446 3.708 40 0 FHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1Cl ZINC000010684196 204399943 /nfs/dbraw/zinc/39/99/43/204399943.db2.gz FLBFFHATWQYBKO-CYBMUJFWSA-N 0 0 360.841 3.886 40 0 FHABRN COc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000010951434 204403372 /nfs/dbraw/zinc/40/33/72/204403372.db2.gz GHZTUKGWGWNRCJ-UHFFFAOYSA-N 0 0 369.490 3.617 40 0 FHABRN CCN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(C)(=O)=O ZINC000010008582 204388930 /nfs/dbraw/zinc/38/89/30/204388930.db2.gz XAFOJEUBLJCUFD-UHFFFAOYSA-N 0 0 370.833 3.517 40 0 FHABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc(Cl)c2)c(C)c1 ZINC000010112383 204391076 /nfs/dbraw/zinc/39/10/76/204391076.db2.gz QNRAJDCCLILDCJ-UHFFFAOYSA-N 0 0 367.854 3.767 40 0 FHABRN CCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1Cl ZINC000010473076 204396994 /nfs/dbraw/zinc/39/69/94/204396994.db2.gz ISTVPGNUIYZYIK-UHFFFAOYSA-N 0 0 360.841 3.887 40 0 FHABRN CCC[C@@H](NC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1cccs1 ZINC000012200211 204440415 /nfs/dbraw/zinc/44/04/15/204440415.db2.gz PELIRXWTFUCNHI-GFCCVEGCSA-N 0 0 364.854 3.967 40 0 FHABRN Clc1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1 ZINC000012481353 204467494 /nfs/dbraw/zinc/46/74/94/204467494.db2.gz CPSJZUGHDKVRLW-UHFFFAOYSA-N 0 0 364.840 3.578 40 0 FHABRN O[C@](c1ccccc1)(c1cccnc1)[C@@](O)(c1ccccc1)c1cccnc1 ZINC000013222502 204525227 /nfs/dbraw/zinc/52/52/27/204525227.db2.gz SWNTUXVFZXJRMT-DNQXCXABSA-N 0 0 368.436 3.649 40 0 FHABRN COc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1OC ZINC000013674792 204544267 /nfs/dbraw/zinc/54/42/67/204544267.db2.gz FPYXSMQJFBKJDB-UHFFFAOYSA-N 0 0 357.450 3.854 40 0 FHABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C ZINC000014009901 204560618 /nfs/dbraw/zinc/56/06/18/204560618.db2.gz SEBWWQXHDKRYAN-SFHVURJKSA-N 0 0 354.450 3.931 40 0 FHABRN C[C@H](Cn1cc(Cl)cn1)C(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000019457389 204684679 /nfs/dbraw/zinc/68/46/79/204684679.db2.gz RPKIOSNHPYXDDM-CYBMUJFWSA-N 0 0 374.897 3.655 40 0 FHABRN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](COc3ccccc3F)C2)n1 ZINC000019572785 204692459 /nfs/dbraw/zinc/69/24/59/204692459.db2.gz YYLMWLAQXGJFCU-MSOLQXFVSA-N 0 0 373.472 3.908 40 0 FHABRN O=C(c1[nH]nc2c1COc1ccccc1-2)N1CCc2[nH]c3ccccc3c2C1 ZINC000019656575 204698221 /nfs/dbraw/zinc/69/82/21/204698221.db2.gz XOAAVGISCGMRTN-UHFFFAOYSA-N 0 0 370.412 3.649 40 0 FHABRN O=C(C1CCC1)N1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019703437 204701244 /nfs/dbraw/zinc/70/12/44/204701244.db2.gz AUYARTUTNJHCDM-OAQYLSRUSA-N 0 0 368.521 3.854 40 0 FHABRN CCOc1cccc2sc(NC(=O)c3ccc(-n4cccn4)nc3)nc21 ZINC000019716575 204702560 /nfs/dbraw/zinc/70/25/60/204702560.db2.gz BHIAWQNHBNPSDC-UHFFFAOYSA-N 0 0 365.418 3.528 40 0 FHABRN O=C(NCCOc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000021904398 204763838 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CC[C@@H](C)Nc1nc(C2CC2)cc(N2CCc3cc(OC)ccc3C2)n1 ZINC000329031375 535567916 /nfs/dbraw/zinc/56/79/16/535567916.db2.gz QJBRSAJJUSRPDF-CQSZACIVSA-N 0 0 352.482 3.558 40 0 FHABRN COC(=O)/C=C/c1ccc(Oc2cc(/C=C/C(=O)OC)ccc2O)cc1 ZINC000253394360 560040461 /nfs/dbraw/zinc/04/04/61/560040461.db2.gz AZWDYQAXTFHTDF-GNXRPPCSSA-N 0 0 354.358 3.557 40 0 biogenic,in-vitro FHABRN COc1cccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)c1 ZINC000096112092 560061037 /nfs/dbraw/zinc/06/10/37/560061037.db2.gz LMYLYIPDWSHCIX-APWZRJJASA-N 0 0 356.397 3.576 40 0 biogenic,in-vitro FHABRN COc1cc(-c2c/c(=N\C[C@H]3CCCO3)c3ccccc3o2)ccc1O ZINC000012419104 560211837 /nfs/dbraw/zinc/21/18/37/560211837.db2.gz HGPDZYFENFMJGK-HDHZYAPQSA-N 0 0 351.402 3.894 40 0 biogenic,in-vitro FHABRN CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO ZINC000013532428 560218760 /nfs/dbraw/zinc/21/87/60/560218760.db2.gz HDIFHQMREAYYJW-IHZMKLEDSA-N 0 0 372.546 3.891 40 0 biogenic,in-vitro FHABRN CC1(C)C=Cc2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O1 ZINC000014690583 560224411 /nfs/dbraw/zinc/22/44/11/560224411.db2.gz QPAKXSCQEJXHSW-INIZCTEOSA-N 0 0 354.358 3.694 40 0 biogenic,in-vitro FHABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ncccc1O ZINC000057313291 568272263 /nfs/dbraw/zinc/27/22/63/568272263.db2.gz WKYIXIAHFZPGQE-PKNBQFBNSA-N 0 0 365.414 3.574 40 0 FHABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000056172985 568289381 /nfs/dbraw/zinc/28/93/81/568289381.db2.gz HBOKRBDJNKRHLX-PKNBQFBNSA-N 0 0 366.417 3.596 40 0 FHABRN CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000058141233 568306544 /nfs/dbraw/zinc/30/65/44/568306544.db2.gz ZFYPVDFLMUTZIT-UHFFFAOYSA-N 0 0 361.239 3.840 40 0 FHABRN Cc1ccccc1CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000058172253 568315167 /nfs/dbraw/zinc/31/51/67/568315167.db2.gz UAMYCUQOFVOYRZ-UHFFFAOYSA-N 0 0 358.482 3.716 40 0 FHABRN CCc1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220498484 568345098 /nfs/dbraw/zinc/34/50/98/568345098.db2.gz DVEPKKUAGBRMQP-IBGZPJMESA-N 0 0 374.506 3.741 40 0 FHABRN CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC000220664594 568354924 /nfs/dbraw/zinc/35/49/24/568354924.db2.gz LOBRVQBMMDOPCO-CVEARBPZSA-N 0 0 351.418 3.729 40 0 FHABRN CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)cc1 ZINC000222440992 568527911 /nfs/dbraw/zinc/52/79/11/568527911.db2.gz LTCXBTUGOMCPKA-SFHVURJKSA-N 0 0 374.506 3.580 40 0 FHABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000222444186 568528230 /nfs/dbraw/zinc/52/82/30/568528230.db2.gz HOIZHOUXSOJGOO-KRWDZBQOSA-N 0 0 370.518 3.559 40 0 FHABRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1N(C)S(C)(=O)=O ZINC000222450811 568528892 /nfs/dbraw/zinc/52/88/92/568528892.db2.gz MKPBJBVFIGWYNH-UHFFFAOYSA-N 0 0 366.870 3.605 40 0 FHABRN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 ZINC000222453806 568529206 /nfs/dbraw/zinc/52/92/06/568529206.db2.gz CKEUXTQQFPTZAB-UHFFFAOYSA-N 0 0 374.506 3.768 40 0 FHABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000222518209 568535084 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COc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000222628723 568547384 /nfs/dbraw/zinc/54/73/84/568547384.db2.gz IOFNRSQIMAQUSG-LBPRGKRZSA-N 0 0 355.419 3.620 40 0 FHABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222630317 568547604 /nfs/dbraw/zinc/54/76/04/568547604.db2.gz MHMVRQZISUGENP-SFHVURJKSA-N 0 0 366.505 3.951 40 0 FHABRN CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc3c(c2)OCCO3)c1 ZINC000222643082 568548771 /nfs/dbraw/zinc/54/87/71/568548771.db2.gz HBSAMKGBKBEDFG-UHFFFAOYSA-N 0 0 369.417 3.514 40 0 FHABRN Cc1cccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222674778 568552477 /nfs/dbraw/zinc/55/24/77/568552477.db2.gz ZVQGOOGYCWMEII-SFHVURJKSA-N 0 0 366.505 3.870 40 0 FHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1 ZINC000222765941 568560769 /nfs/dbraw/zinc/56/07/69/568560769.db2.gz NSZRAELLVIVLBV-ZDUSSCGKSA-N 0 0 360.841 3.886 40 0 FHABRN CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 ZINC000222779961 568562315 /nfs/dbraw/zinc/56/23/15/568562315.db2.gz MPFWMNXJSUISKJ-UHFFFAOYSA-N 0 0 368.458 3.531 40 0 FHABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000222798118 568564214 /nfs/dbraw/zinc/56/42/14/568564214.db2.gz BCDPDKNCOCTGHU-RTBURBONSA-N 0 0 364.474 3.570 40 0 FHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)c(C)c1 ZINC000222970386 568583560 /nfs/dbraw/zinc/58/35/60/568583560.db2.gz VUEVQLDEWUQKPX-KRWDZBQOSA-N 0 0 370.468 3.538 40 0 FHABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)c1 ZINC000222994155 568587659 /nfs/dbraw/zinc/58/76/59/568587659.db2.gz HODAJFFWTXCTPD-GFCCVEGCSA-N 0 0 369.870 3.538 40 0 FHABRN O=C(COc1cccc2cccnc21)Nc1cc(-c2cccc(F)c2)[nH]n1 ZINC000223137372 568615227 /nfs/dbraw/zinc/61/52/27/568615227.db2.gz LRQGNAMRMDXENK-UHFFFAOYSA-N 0 0 362.364 3.782 40 0 FHABRN CC[C@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000223139245 568615571 /nfs/dbraw/zinc/61/55/71/568615571.db2.gz XZZPNDSEOREAKJ-KRWDZBQOSA-N 0 0 357.450 3.831 40 0 FHABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223150529 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COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 ZINC000223319501 568639459 /nfs/dbraw/zinc/63/94/59/568639459.db2.gz QWHFJVLDMFIQOH-AWEZNQCLSA-N 0 0 355.434 3.989 40 0 FHABRN COc1cccc(OCCNC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000223406675 568651404 /nfs/dbraw/zinc/65/14/04/568651404.db2.gz SJKOUBSSPDBZEQ-UHFFFAOYSA-N 0 0 365.882 3.777 40 0 FHABRN CCOc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1 ZINC000223525366 568665192 /nfs/dbraw/zinc/66/51/92/568665192.db2.gz USHQRTUUJGXBBG-UHFFFAOYSA-N 0 0 371.458 3.596 40 0 FHABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O ZINC000223540135 568666752 /nfs/dbraw/zinc/66/67/52/568666752.db2.gz VXGMRGWNEYEXOE-NRFANRHFSA-N 0 0 368.477 3.701 40 0 FHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000223540018 568666836 /nfs/dbraw/zinc/66/68/36/568666836.db2.gz HHDJPOWGSAXOJC-GOSISDBHSA-N 0 0 366.505 3.735 40 0 FHABRN CN(CCCNC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 ZINC000223597210 568675442 /nfs/dbraw/zinc/67/54/42/568675442.db2.gz PBERHULFUCFTQI-UHFFFAOYSA-N 0 0 352.478 3.587 40 0 FHABRN C[C@H](COc1ccccc1)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000223615407 568680482 /nfs/dbraw/zinc/68/04/82/568680482.db2.gz DRUQWWFXOGGDPO-SJORKVTESA-N 0 0 353.462 3.916 40 0 FHABRN COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223626552 568683587 /nfs/dbraw/zinc/68/35/87/568683587.db2.gz WQVIIIJJVOGXLJ-INIZCTEOSA-N 0 0 365.429 3.811 40 0 FHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223682606 568699512 /nfs/dbraw/zinc/69/95/12/568699512.db2.gz ZUYSYJAQSLETEJ-LJQANCHMSA-N 0 0 366.505 3.708 40 0 FHABRN COc1cc(CNS(=O)(=O)c2cc(C)ccc2C)ccc1OC(C)C ZINC000223709059 568708062 /nfs/dbraw/zinc/70/80/62/568708062.db2.gz BLLRDQMBIKAOFP-UHFFFAOYSA-N 0 0 363.479 3.578 40 0 FHABRN COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1C ZINC000223798410 568731994 /nfs/dbraw/zinc/73/19/94/568731994.db2.gz WLRYNYFTZSSPBX-UHFFFAOYSA-N 0 0 353.827 3.544 40 0 FHABRN COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1C ZINC000223801911 568732823 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568561487 /nfs/dbraw/zinc/56/14/87/568561487.db2.gz YJTNVYJBZQGGQR-UHFFFAOYSA-N 0 0 361.850 3.980 40 0 FHABRN COc1ccc([C@H](CC(C)C)NC(=O)COc2cccc(OC)c2)cc1 ZINC000222792730 568563330 /nfs/dbraw/zinc/56/33/30/568563330.db2.gz ZRTYUMPXCJSHLI-FQEVSTJZSA-N 0 0 357.450 3.986 40 0 FHABRN COc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 ZINC000222797057 568563974 /nfs/dbraw/zinc/56/39/74/568563974.db2.gz OQGOBAMCNWDADQ-MRXNPFEDSA-N 0 0 371.477 3.955 40 0 FHABRN Cc1cc(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000222841417 568570766 /nfs/dbraw/zinc/57/07/66/568570766.db2.gz VZNDOSBYMHXYCF-KRWDZBQOSA-N 0 0 372.896 3.760 40 0 FHABRN COc1ccc(CCC(=O)N[C@H](C)COc2ccccc2OC)cc1C ZINC000222846920 568571521 /nfs/dbraw/zinc/57/15/21/568571521.db2.gz UVCZQMRAGHNFOU-MRXNPFEDSA-N 0 0 357.450 3.529 40 0 FHABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000222902638 568577205 /nfs/dbraw/zinc/57/72/05/568577205.db2.gz BCZCPJBMRFJFLB-INIZCTEOSA-N 0 0 356.441 3.578 40 0 FHABRN 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/nfs/dbraw/zinc/88/81/91/570888191.db2.gz KUIPPGJOXPBJGC-OAQYLSRUSA-N 0 0 368.502 3.625 40 0 FHABRN CC(C)OCCCNc1ncc(-c2ccccc2F)c(-c2nccn2C)n1 ZINC000019450429 570889011 /nfs/dbraw/zinc/88/90/11/570889011.db2.gz LXMXVTXQJIMVBL-UHFFFAOYSA-N 0 0 369.444 3.910 40 0 FHABRN CC(C)c1nc(C2CCN(C(=O)C3CC3)CC2)ncc1-c1ccncc1 ZINC000019451536 570889163 /nfs/dbraw/zinc/88/91/63/570889163.db2.gz ANIBHUSIEOAGGI-UHFFFAOYSA-N 0 0 350.466 3.778 40 0 FHABRN CC(C)Oc1ccc(-c2csc(NC(=O)[C@H](C)n3ccnc3)n2)cc1 ZINC000019450724 570889172 /nfs/dbraw/zinc/88/91/72/570889172.db2.gz ACLHBWRPOGVGSH-ZDUSSCGKSA-N 0 0 356.451 3.994 40 0 FHABRN C[C@H](C(=O)N[C@H]1CCCc2nc(-c3ccncc3)ncc21)c1ccccc1 ZINC000019459412 570889725 /nfs/dbraw/zinc/88/97/25/570889725.db2.gz IMLIYUAUFXFUMZ-YWZLYKJASA-N 0 0 358.445 3.836 40 0 FHABRN C[C@@H]1CN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)C[C@@H](C)O1 ZINC000019497623 570890052 /nfs/dbraw/zinc/89/00/52/570890052.db2.gz KQTKSGSIQHTIKL-ZIAGYGMSSA-N 0 0 352.463 3.881 40 0 FHABRN CCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 ZINC000019498424 570890117 /nfs/dbraw/zinc/89/01/17/570890117.db2.gz FBVSCPXPJVEOFL-NRFANRHFSA-N 0 0 370.518 3.675 40 0 FHABRN CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(N)=O)C1 ZINC000019498597 570890159 /nfs/dbraw/zinc/89/01/59/570890159.db2.gz SIPXRMDVIITXLZ-QFIPXVFZSA-N 0 0 368.452 3.539 40 0 FHABRN C[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C1 ZINC000019496472 570890215 /nfs/dbraw/zinc/89/02/15/570890215.db2.gz IWCXQFXRFCXRAY-OAHLLOKOSA-N 0 0 371.506 3.519 40 0 FHABRN C[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C1 ZINC000019496473 570890246 /nfs/dbraw/zinc/89/02/46/570890246.db2.gz IWCXQFXRFCXRAY-HNNXBMFYSA-N 0 0 371.506 3.519 40 0 FHABRN CCCC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 ZINC000019501740 570890754 /nfs/dbraw/zinc/89/07/54/570890754.db2.gz BBFVHHSBIORQIE-UHFFFAOYSA-N 0 0 367.497 3.547 40 0 FHABRN CCc1nccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000019523655 570891193 /nfs/dbraw/zinc/89/11/93/570891193.db2.gz IWQBXYMQKMVSRD-UBBRYJJRSA-N 0 0 351.494 3.924 40 0 FHABRN CCCn1ncc(C(=O)NCC2(c3cc(C)cc(C)c3)CCOCC2)c1C ZINC000019525900 570891587 /nfs/dbraw/zinc/89/15/87/570891587.db2.gz SYSCVNKPUUTTBR-UHFFFAOYSA-N 0 0 369.509 3.697 40 0 FHABRN CCn1cc(-c2cc(C(=O)Nc3c(C)ccc4cccnc43)on2)c(C)n1 ZINC000019524725 570891634 /nfs/dbraw/zinc/89/16/34/570891634.db2.gz QWMDKPOUJUMSJI-UHFFFAOYSA-N 0 0 361.405 3.975 40 0 FHABRN Cc1nc(N(C)C)ncc1C(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000019552742 570892579 /nfs/dbraw/zinc/89/25/79/570892579.db2.gz ZQQOBLHILHSNDC-NSHDSACASA-N 0 0 358.829 3.742 40 0 FHABRN Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccsc2)c2ccccn2)s1 ZINC000019560472 570893427 /nfs/dbraw/zinc/89/34/27/570893427.db2.gz CUVQCNQSMPXZHU-INIZCTEOSA-N 0 0 357.504 3.859 40 0 FHABRN Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)o1 ZINC000019562914 570893730 /nfs/dbraw/zinc/89/37/30/570893730.db2.gz JISRJTZFKOXWKH-AWEZNQCLSA-N 0 0 372.425 3.547 40 0 FHABRN Cc1nn([C@@H](C)CC(=O)NCc2ccc3c(c2)CCCO3)c(C)c1Cl ZINC000019577567 570894731 /nfs/dbraw/zinc/89/47/31/570894731.db2.gz VZWTZMBHQLWTBQ-LBPRGKRZSA-N 0 0 361.873 3.746 40 0 FHABRN COc1ccc2cnc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc2c1C ZINC000019582673 570895409 /nfs/dbraw/zinc/89/54/09/570895409.db2.gz BENDGQKSQSPZNE-KRWDZBQOSA-N 0 0 361.445 3.967 40 0 FHABRN Cc1cc2nc(C)c(CCC(=O)N3CC[C@H](c4ccccc4)C3)c(C)n2n1 ZINC000019657194 570896782 /nfs/dbraw/zinc/89/67/82/570896782.db2.gz OTZILRGKRQYESV-IBGZPJMESA-N 0 0 362.477 3.603 40 0 FHABRN Cc1noc(C)c1CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000019658227 570896799 /nfs/dbraw/zinc/89/67/99/570896799.db2.gz HYRBIRYLGKFRMF-UHFFFAOYSA-N 0 0 362.842 3.568 40 0 FHABRN CCn1cc(-c2cc(C(=O)Nc3c(C)ccc4nc(C)ccc43)no2)cn1 ZINC000019665269 570897831 /nfs/dbraw/zinc/89/78/31/570897831.db2.gz OJBFVUZMRGLWHQ-UHFFFAOYSA-N 0 0 361.405 3.975 40 0 FHABRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1N1CCCC1 ZINC000019663968 570897994 /nfs/dbraw/zinc/89/79/94/570897994.db2.gz NRJHXLJZFDZQDJ-MRXNPFEDSA-N 0 0 366.461 3.857 40 0 FHABRN Cc1cccc2c(C(=O)N(C)CC3(C)COC3)cc(-c3cccnc3)nc12 ZINC000019664529 570898006 /nfs/dbraw/zinc/89/80/06/570898006.db2.gz NPKIBOPXLBOXNW-UHFFFAOYSA-N 0 0 361.445 3.714 40 0 FHABRN CCn1c(C)nc2cc(NC(=O)c3cn4cc(Cl)ccc4n3)ccc21 ZINC000019716739 570899999 /nfs/dbraw/zinc/89/99/99/570899999.db2.gz GCHAGXPDNQXWIV-UHFFFAOYSA-N 0 0 353.813 3.918 40 0 FHABRN Cc1cccc2c(C(=O)NCCCn3cccn3)cc(-c3cccnc3)nc12 ZINC000019716687 570900012 /nfs/dbraw/zinc/90/00/12/570900012.db2.gz VOZWXWZDTXNFGE-UHFFFAOYSA-N 0 0 371.444 3.622 40 0 FHABRN CCOC1CCN(C(=O)c2cc(-n3nc(C)cc3C)ccc2Cl)CC1 ZINC000019718324 570900357 /nfs/dbraw/zinc/90/03/57/570900357.db2.gz ZRWJOUAVJPSHPM-UHFFFAOYSA-N 0 0 361.873 3.784 40 0 FHABRN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1[nH]nc2nc(C)ccc21 ZINC000019717305 570900386 /nfs/dbraw/zinc/90/03/86/570900386.db2.gz NFTIKMLVBWTOOZ-UHFFFAOYSA-N 0 0 374.448 3.640 40 0 FHABRN CC(C)C(=O)N1CCC(CC(=O)NC2(c3ccccc3)CCCC2)CC1 ZINC000019748853 570902277 /nfs/dbraw/zinc/90/22/77/570902277.db2.gz ZRBNCBACFNUGBG-UHFFFAOYSA-N 0 0 356.510 3.857 40 0 FHABRN C[C@@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]([NH3+])C(=O)[O-] ZINC000196591184 570904580 /nfs/dbraw/zinc/90/45/80/570904580.db2.gz NIIMOYXLKQFSST-UTKZUKDTSA-N 0 0 361.441 3.796 40 0 FHABRN COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)oc21 ZINC000019887867 570905435 /nfs/dbraw/zinc/90/54/35/570905435.db2.gz YLTIFQSGXUSUIR-UHFFFAOYSA-N 0 0 364.401 3.930 40 0 FHABRN Cc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1NS(C)(=O)=O ZINC000019933354 570907283 /nfs/dbraw/zinc/90/72/83/570907283.db2.gz IKBMSMWCNFMQSW-LJQANCHMSA-N 0 0 374.506 3.884 40 0 FHABRN O=c1c2c(ccn1-c1ccccc1Cl)nc1ncnn1c2-c1ccccc1 ZINC000019960198 570907619 /nfs/dbraw/zinc/90/76/19/570907619.db2.gz IGEYVVGADVISHE-UHFFFAOYSA-N 0 0 373.803 3.749 40 0 FHABRN COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000020030065 570908677 /nfs/dbraw/zinc/90/86/77/570908677.db2.gz MCRMCKXPQRFNEF-NSHDSACASA-N 0 0 355.456 3.596 40 0 FHABRN COc1cccc(CN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000020120883 570910502 /nfs/dbraw/zinc/91/05/02/570910502.db2.gz AVVRYNGXQGBTEF-UHFFFAOYSA-N 0 0 359.857 3.698 40 0 FHABRN COc1ccc(NC(=O)COc2cccc(C)c2)cc1-c1ccc(CO)o1 ZINC000020143869 570912216 /nfs/dbraw/zinc/91/22/16/570912216.db2.gz UVJKAAHGQGIUAF-UHFFFAOYSA-N 0 0 367.401 3.773 40 0 FHABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3c(C)cccc3C)cc2C[C@@H]1C ZINC000020448973 570916595 /nfs/dbraw/zinc/91/65/95/570916595.db2.gz VJRUVRUSDOBIFD-HNNXBMFYSA-N 0 0 372.490 3.656 40 0 FHABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CN2CCOCC2)c1 ZINC000020452211 570916643 /nfs/dbraw/zinc/91/66/43/570916643.db2.gz NUSDOHUVFPYRFZ-UHFFFAOYSA-N 0 0 364.367 3.790 40 0 FHABRN COc1ccccc1CN(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000020481094 570917678 /nfs/dbraw/zinc/91/76/78/570917678.db2.gz DFPOOFSLLRMSKA-UHFFFAOYSA-N 0 0 374.289 3.964 40 0 FHABRN CCN1c2ccccc2[C@@]2(Oc3ccccc3C(=O)N2c2ccccc2)C1=O ZINC000020636606 570922845 /nfs/dbraw/zinc/92/28/45/570922845.db2.gz FWUIZJBSJPGFOG-HSZRJFAPSA-N 0 0 370.408 3.945 40 0 FHABRN CCc1c(C)n(CC(=O)c2ccc(F)cc2)c2nc3ccccc3n2c1=O ZINC000020798238 570925453 /nfs/dbraw/zinc/92/54/53/570925453.db2.gz GKVUAPUJOPQUCD-UHFFFAOYSA-N 0 0 363.392 3.542 40 0 FHABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCC2)c1 ZINC000205610725 570939629 /nfs/dbraw/zinc/93/96/29/570939629.db2.gz UIFSZFHOAKMWCI-RGEXLXHISA-N 0 0 352.434 3.808 40 0 FHABRN COc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(C)cc2)c1 ZINC000022511648 570944790 /nfs/dbraw/zinc/94/47/90/570944790.db2.gz LPZUOSXPFIHYOS-MRXNPFEDSA-N 0 0 359.491 3.821 40 0 FHABRN CCOC(=O)C1CCN(C(=O)[C@H](CC)Oc2ccc3ccccc3c2)CC1 ZINC000022525183 570945399 /nfs/dbraw/zinc/94/53/99/570945399.db2.gz BMLABELLLLOCQB-FQEVSTJZSA-N 0 0 369.461 3.799 40 0 FHABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000022519938 570945641 /nfs/dbraw/zinc/94/56/41/570945641.db2.gz SDNGAYBOQJMLNA-UHFFFAOYSA-N 0 0 358.463 3.539 40 0 FHABRN Cc1cc(C)c([C@H](C)NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1C ZINC000022540517 570946987 /nfs/dbraw/zinc/94/69/87/570946987.db2.gz OCACFEMEHSQSAQ-HNNXBMFYSA-N 0 0 358.869 3.759 40 0 FHABRN COc1cccc(OC)c1COC(=O)c1snnc1-c1ccc(F)cc1 ZINC000223842596 570969863 /nfs/dbraw/zinc/96/98/63/570969863.db2.gz VUEGZAHDSSJRAV-UHFFFAOYSA-N 0 0 374.393 3.718 40 0 FHABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223864898 570970316 /nfs/dbraw/zinc/97/03/16/570970316.db2.gz MSIKZNUAFFPOBT-CQSZACIVSA-N 0 0 350.890 3.916 40 0 FHABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 ZINC000223882050 570970882 /nfs/dbraw/zinc/97/08/82/570970882.db2.gz BRMSNJQGOUSQQR-OALUTQOASA-N 0 0 364.474 3.918 40 0 FHABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)[nH]1 ZINC000223878428 570970910 /nfs/dbraw/zinc/97/09/10/570970910.db2.gz UQGYSGTZRMDCBB-QZTJIDSGSA-N 0 0 350.447 3.601 40 0 FHABRN COc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000223923497 570971661 /nfs/dbraw/zinc/97/16/61/570971661.db2.gz WNISVAHOZYDCMU-LBPRGKRZSA-N 0 0 353.340 3.798 40 0 FHABRN CC(C)C(NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)C(C)C ZINC000223918270 570971817 /nfs/dbraw/zinc/97/18/17/570971817.db2.gz CITHDEKPJQBMKN-UHFFFAOYSA-N 0 0 374.506 3.898 40 0 FHABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1cc(C)ccc1C ZINC000224029397 570974958 /nfs/dbraw/zinc/97/49/58/570974958.db2.gz ZBYHLBZHYVCLQN-KRWDZBQOSA-N 0 0 357.450 3.665 40 0 FHABRN CCC(C)(C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000224046046 570975247 /nfs/dbraw/zinc/97/52/47/570975247.db2.gz JEGBMOFZETZJDO-UHFFFAOYSA-N 0 0 360.479 3.714 40 0 FHABRN O=C(Nc1ccccc1Oc1ccccc1)c1cc(N2CCOCC2)on1 ZINC000224080811 570976221 /nfs/dbraw/zinc/97/62/21/570976221.db2.gz CLJKLRORSOUZIZ-UHFFFAOYSA-N 0 0 365.389 3.556 40 0 FHABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000224111153 570977395 /nfs/dbraw/zinc/97/73/95/570977395.db2.gz PRTNMEYUPLUUFD-KRWDZBQOSA-N 0 0 370.468 3.558 40 0 FHABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CC ZINC000224108940 570977517 /nfs/dbraw/zinc/97/75/17/570977517.db2.gz 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KYRDITCXPNFIBT-MPBPYYHOSA-N 0 0 358.434 3.692 40 0 biogenic,in-vitro FHABRN Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccnc3)n2)cc1 ZINC000067898544 560049939 /nfs/dbraw/zinc/04/99/39/560049939.db2.gz AMBNEVKRUKZFRY-SFHVURJKSA-N 0 0 354.841 3.699 40 0 biogenic,in-vitro FHABRN CC(C)n1nc(-c2ccccc2)cc1NC(=O)Nc1cnn(CCF)c1 ZINC000685939095 568430252 /nfs/dbraw/zinc/43/02/52/568430252.db2.gz BOGAPWPGBKWGKW-UHFFFAOYSA-N 0 0 356.405 3.941 40 0 FHABRN Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000024694654 568487700 /nfs/dbraw/zinc/48/77/00/568487700.db2.gz HNWUYWKJGFNAJH-UHFFFAOYSA-N 0 0 355.413 3.560 40 0 FHABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000222400162 568523319 /nfs/dbraw/zinc/52/33/19/568523319.db2.gz LSMYJGMJSWXOLO-QGZVFWFLSA-N 0 0 370.518 3.641 40 0 FHABRN Cc1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1C ZINC000222488426 568532559 /nfs/dbraw/zinc/53/25/59/568532559.db2.gz RLDLQALVKQTUMU-UHFFFAOYSA-N 0 0 366.870 3.605 40 0 FHABRN 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CHQUUPIRTDVHIM-UHFFFAOYSA-N 0 0 350.281 3.966 40 0 FHABRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000036453199 204378549 /nfs/dbraw/zinc/37/85/49/204378549.db2.gz MBGXOZTZHRIZRO-GOSISDBHSA-N 0 0 355.434 3.866 40 0 FHABRN O=c1[nH]c(=O)n(C2CCCCC2)c2nccc(-c3ccc(Cl)cc3)c12 ZINC000009936565 204385723 /nfs/dbraw/zinc/38/57/23/204385723.db2.gz MZOZSOOIHRDWAU-UHFFFAOYSA-N 0 0 355.825 3.910 40 0 FHABRN COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000010543606 204398770 /nfs/dbraw/zinc/39/87/70/204398770.db2.gz BOSIQTHFLPYPFK-HNNXBMFYSA-N 0 0 371.458 3.594 40 0 FHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C ZINC000010684211 204399368 /nfs/dbraw/zinc/39/93/68/204399368.db2.gz RGCLLFPXNSJPAD-JKSUJKDBSA-N 0 0 354.450 3.929 40 0 FHABRN Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)on1 ZINC000012118438 204432017 /nfs/dbraw/zinc/43/20/17/204432017.db2.gz SBXHAEDPLWNDJP-HOTGVXAUSA-N 0 0 352.438 3.502 40 0 FHABRN C[C@@H]1CCc2noc(C3CCN(C(=O)Cc4ccccc4F)CC3)c2C1 ZINC000012119823 204434111 /nfs/dbraw/zinc/43/41/11/204434111.db2.gz ZQPDVZSXTSETTG-CQSZACIVSA-N 0 0 356.441 3.887 40 0 FHABRN COc1cc(C)c(CNC(=O)c2cccc(-n3cnnc3)c2)cc1C(C)C ZINC000012148325 204436057 /nfs/dbraw/zinc/43/60/57/204436057.db2.gz UEMDCODWYIOYCV-UHFFFAOYSA-N 0 0 364.449 3.638 40 0 FHABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1C ZINC000013648816 204541297 /nfs/dbraw/zinc/54/12/97/204541297.db2.gz NOXVAMUQWQIEFO-AWEZNQCLSA-N 0 0 357.406 3.586 40 0 FHABRN CCN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(C)(=O)=O ZINC000013678064 204544042 /nfs/dbraw/zinc/54/40/42/204544042.db2.gz XKPUZBPGTIWHIK-UHFFFAOYSA-N 0 0 368.458 3.878 40 0 FHABRN C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000015197321 204605710 /nfs/dbraw/zinc/60/57/10/204605710.db2.gz JSJMMKKXUPCDIX-CNELAYHGSA-N 0 0 363.866 3.634 40 0 FHABRN CSCC[C@@H](NC(=O)c1cccc(Cl)c1)c1nnc2ccccn21 ZINC000015971997 204628559 /nfs/dbraw/zinc/62/85/59/204628559.db2.gz QOQVJTFBBGZPOW-CQSZACIVSA-N 0 0 360.870 3.607 40 0 FHABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H](C)Oc2cccc(F)c2)c1 ZINC000019078607 204667620 /nfs/dbraw/zinc/66/76/20/204667620.db2.gz WGAKYKNLOHPPCL-IFXJQAMLSA-N 0 0 373.424 3.974 40 0 FHABRN Cc1csc(C(=O)N2CCC[C@H]2c2nnc(-c3scnc3C)o2)c1 ZINC000019124551 204669832 /nfs/dbraw/zinc/66/98/32/204669832.db2.gz YWELCZSXGBRGDL-NSHDSACASA-N 0 0 360.464 3.849 40 0 FHABRN COc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1cc(C)on1 ZINC000019134449 204669948 /nfs/dbraw/zinc/66/99/48/204669948.db2.gz LJYZMKCOVHZJMD-INIZCTEOSA-N 0 0 364.467 3.606 40 0 FHABRN Cc1ccc(-c2noc([C@@H]3CCN3C(=O)CCc3c(C)noc3C)n2)s1 ZINC000019217523 204670519 /nfs/dbraw/zinc/67/05/19/204670519.db2.gz QZINQIOXNATPDK-AWEZNQCLSA-N 0 0 372.450 3.618 40 0 FHABRN Cc1ccn2cc(C(=O)N3CCC[C@@H](COc4ccccc4F)C3)nc2c1 ZINC000019238165 204672408 /nfs/dbraw/zinc/67/24/08/204672408.db2.gz MTBVFWSLSDKJIC-MRXNPFEDSA-N 0 0 367.424 3.713 40 0 FHABRN COc1ccc2[nH]cc([C@H]3CC[C@@H](NC(=O)c4c(Cl)cnn4C)C3)c2c1 ZINC000019288567 204674593 /nfs/dbraw/zinc/67/45/93/204674593.db2.gz GUSDMXCHRFUVRT-NWDGAFQWSA-N 0 0 372.856 3.630 40 0 FHABRN Fc1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1F ZINC000019374357 204682281 /nfs/dbraw/zinc/68/22/81/204682281.db2.gz IOHPFUWZZQAEMH-KRWDZBQOSA-N 0 0 357.360 3.588 40 0 FHABRN CCn1cc(CCC(=O)N[C@@H](Cc2ccsc2)c2cccnc2)c(C)n1 ZINC000019524489 204686653 /nfs/dbraw/zinc/68/66/53/204686653.db2.gz YVTLHUZGNOJYDP-IBGZPJMESA-N 0 0 368.506 3.701 40 0 FHABRN Cn1nc(C(=O)N[C@H]2CCOc3ccccc32)cc1-c1ccc(Cl)cc1 ZINC000019660456 204697652 /nfs/dbraw/zinc/69/76/52/204697652.db2.gz OWFKZFDELOHRKG-INIZCTEOSA-N 0 0 367.836 3.994 40 0 FHABRN Cc1cc(C)n([C@@H](C)C(=O)NCCc2cn(C)c3ccc(Cl)cc23)n1 ZINC000019660570 204698310 /nfs/dbraw/zinc/69/83/10/204698310.db2.gz FQGWWVPCSFVQTC-AWEZNQCLSA-N 0 0 358.873 3.565 40 0 FHABRN CCCNC(=O)c1ccccc1NC(=O)c1cc2cccc(OC)c2o1 ZINC000019887892 204711716 /nfs/dbraw/zinc/71/17/16/204711716.db2.gz LVPVPPBPOJNGLS-UHFFFAOYSA-N 0 0 352.390 3.834 40 0 FHABRN CCn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(OC)ccc21 ZINC000022236022 204772028 /nfs/dbraw/zinc/77/20/28/204772028.db2.gz SBGCIIUUGVINRU-UHFFFAOYSA-N 0 0 356.466 3.873 40 0 FHABRN CCn1cc(C(=O)Nc2cc(F)ccc2C)c(=O)c2cc(OC)ccc21 ZINC000022236104 204772654 /nfs/dbraw/zinc/77/26/54/204772654.db2.gz QIWOYVXINGFSNG-UHFFFAOYSA-N 0 0 354.381 3.730 40 0 FHABRN CCOc1cccc(CNC(=O)CSc2ccc(OC)c(OC)c2)c1 ZINC000022513527 204778683 /nfs/dbraw/zinc/77/86/83/204778683.db2.gz YVRUHVMFLDTPLJ-UHFFFAOYSA-N 0 0 361.463 3.511 40 0 FHABRN COc1cccc(-c2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)c1 ZINC000022606824 204782022 /nfs/dbraw/zinc/78/20/22/204782022.db2.gz VGSGSXQLJDDHLP-UHFFFAOYSA-N 0 0 370.412 3.688 40 0 FHABRN CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000028253976 204878176 /nfs/dbraw/zinc/87/81/76/204878176.db2.gz TZZMDDSDOCZYDB-UHFFFAOYSA-N 0 0 361.463 3.568 40 0 FHABRN O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 ZINC000032126611 204927051 /nfs/dbraw/zinc/92/70/51/204927051.db2.gz RULPUZRSZDNYSM-UHFFFAOYSA-N 0 0 350.399 3.695 40 0 FHABRN CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000030858280 204913073 /nfs/dbraw/zinc/91/30/73/204913073.db2.gz VHVHXBHHQORLPY-CABCVRRESA-N 0 0 357.450 3.911 40 0 FHABRN COc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000030848904 204913093 /nfs/dbraw/zinc/91/30/93/204913093.db2.gz AGPIKLSEARUXFP-CYBMUJFWSA-N 0 0 361.463 3.509 40 0 FHABRN CCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2Br)C1=O ZINC000036635817 205019811 /nfs/dbraw/zinc/01/98/11/205019811.db2.gz JISZWAFDQKNUMH-HNNXBMFYSA-N 0 0 373.250 3.756 40 0 FHABRN COc1ccc(OC)c([C@@H](O)CN2CCc3c4ccccc4[nH]c3[C@H]2C)c1 ZINC000036743798 205021558 /nfs/dbraw/zinc/02/15/58/205021558.db2.gz UNIQDOGKVALDTM-VLIAUNLRSA-N 0 0 366.461 3.838 40 0 FHABRN COc1cc(OC)cc(C(=O)c2cc(Br)ccc2OC)c1 ZINC000036944756 205024199 /nfs/dbraw/zinc/02/41/99/205024199.db2.gz YXROEBCJFPMOBN-UHFFFAOYSA-N 0 0 351.196 3.706 40 0 FHABRN COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(F)cc3)n2)c1 ZINC000072322096 205030591 /nfs/dbraw/zinc/03/05/91/205030591.db2.gz FZCUPBQSYJAFID-FQEVSTJZSA-N 0 0 367.424 3.798 40 0 biogenic,in-vitro FHABRN COC(=O)c1cc(I)c(-c2ccccc2)cc1OC ZINC000039951665 205047975 /nfs/dbraw/zinc/04/79/75/205047975.db2.gz NJZWVDWIXAVIDY-UHFFFAOYSA-N 0 0 368.170 3.753 40 0 FHABRN CCCC(CCC)C(=O)N1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O ZINC000040386263 205067470 /nfs/dbraw/zinc/06/74/70/205067470.db2.gz GMCQAIFMBKODIM-GOSISDBHSA-N 0 0 356.466 3.771 40 0 FHABRN Cc1ccc(SCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000041407696 205089591 /nfs/dbraw/zinc/08/95/91/205089591.db2.gz KQIYWAIPMDPHEQ-UHFFFAOYSA-N 0 0 355.503 3.952 40 0 FHABRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)OCc1ccccc1)C2 ZINC000044137855 205106708 /nfs/dbraw/zinc/10/67/08/205106708.db2.gz WLIZPIKHYHTHJR-ALOPSCKCSA-N 0 0 360.454 3.843 40 0 FHABRN COC(=O)c1cccc(NC(=S)NCCSc2ccccc2)c1C ZINC000044663097 205110689 /nfs/dbraw/zinc/11/06/89/205110689.db2.gz TUTZDPHBJAGSAH-UHFFFAOYSA-N 0 0 360.504 3.860 40 0 FHABRN O=C(NCCCc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000044906431 205114352 /nfs/dbraw/zinc/11/43/52/205114352.db2.gz XZPCTHIROIXADZ-UHFFFAOYSA-N 0 0 353.853 3.947 40 0 FHABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000044904392 205114479 /nfs/dbraw/zinc/11/44/79/205114479.db2.gz BUGVJCTYLXYWPU-ZDUSSCGKSA-N 0 0 360.841 3.884 40 0 FHABRN Cc1c(Cl)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000044904568 205114629 /nfs/dbraw/zinc/11/46/29/205114629.db2.gz LPZRUHHMTGDQGE-UHFFFAOYSA-N 0 0 373.261 3.926 40 0 FHABRN CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000044904767 205115229 /nfs/dbraw/zinc/11/52/29/205115229.db2.gz CXHIQMKPCKOWCL-CYBMUJFWSA-N 0 0 353.871 3.919 40 0 FHABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000045904031 205126146 /nfs/dbraw/zinc/12/61/46/205126146.db2.gz FDGQRRNQIVSATP-QWHCGFSZSA-N 0 0 361.825 3.756 40 0 FHABRN C[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000045904037 205126292 /nfs/dbraw/zinc/12/62/92/205126292.db2.gz FDGQRRNQIVSATP-OLZOCXBDSA-N 0 0 361.825 3.756 40 0 FHABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OC ZINC000043030247 205099885 /nfs/dbraw/zinc/09/98/85/205099885.db2.gz RRYNBELUATUYNW-CVEARBPZSA-N 0 0 357.450 3.965 40 0 FHABRN C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(Cl)cc1 ZINC000043732755 205103945 /nfs/dbraw/zinc/10/39/45/205103945.db2.gz HQBPJDFUAPFXKD-LBPRGKRZSA-N 0 0 354.233 3.956 40 0 FHABRN Cc1c(C)c2c(cc1Br)C(=O)[C@@H](N1CCCC[C@@H]1C)CO2 ZINC000055125457 205208797 /nfs/dbraw/zinc/20/87/97/205208797.db2.gz MJIALHBFRVZOGC-BONVTDFDSA-N 0 0 352.272 3.884 40 0 FHABRN S=C(NCCSCc1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000053579599 205195438 /nfs/dbraw/zinc/19/54/38/205195438.db2.gz BWCRLHRJYXDHQF-UHFFFAOYSA-N 0 0 360.504 3.678 40 0 FHABRN CN(CC(=O)c1ccc(I)cc1)Cc1ccccc1 ZINC000059857510 205283230 /nfs/dbraw/zinc/28/32/30/205283230.db2.gz OPXXIVMLSPAKJF-UHFFFAOYSA-N 0 0 365.214 3.606 40 0 FHABRN COc1ccccc1CN(C)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000061114574 205285927 /nfs/dbraw/zinc/28/59/27/205285927.db2.gz GMNFHAZBHIEAAO-UHFFFAOYSA-N 0 0 363.461 3.829 40 0 FHABRN Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1 ZINC000061341509 205286668 /nfs/dbraw/zinc/28/66/68/205286668.db2.gz RWKUNXACOREWGY-UHFFFAOYSA-N 0 0 352.843 3.581 40 0 FHABRN S=C(NCc1nc(-c2cccs2)no1)Nc1ccccc1Cl ZINC000065705246 205361203 /nfs/dbraw/zinc/36/12/03/205361203.db2.gz FZUDEWFSRSFWCR-UHFFFAOYSA-N 0 0 350.856 3.938 40 0 FHABRN COc1ccc(OCCCC(=O)NCCCc2cccc(OC)c2)cc1 ZINC000066436412 205365243 /nfs/dbraw/zinc/36/52/43/205365243.db2.gz YRSXZJRPSVOXNO-UHFFFAOYSA-N 0 0 357.450 3.612 40 0 FHABRN CCc1cc(-n2cnnc2)cc(C)c1NC(=O)Cc1ccc(Cl)cc1 ZINC000072228939 205502533 /nfs/dbraw/zinc/50/25/33/205502533.db2.gz IUFISXCJEGNAHS-UHFFFAOYSA-N 0 0 354.841 3.973 40 0 FHABRN Cc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000072362268 205521007 /nfs/dbraw/zinc/52/10/07/205521007.db2.gz JYNJISDURCFPQD-KRWDZBQOSA-N 0 0 374.444 3.992 40 0 FHABRN COc1ccc(Oc2cc(C)nc([C@@H]3CCCN3C(=O)C3CC3)n2)cc1 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COc1ccc(C[C@H]2CN(C(=O)c3cc(C)oc3C)CC[C@H]2OC)cc1 ZINC000096110257 570475781 /nfs/dbraw/zinc/47/57/81/570475781.db2.gz DJAKWWZOXJTYGO-FXAWDEMLSA-N 0 0 357.450 3.625 40 0 FHABRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(=O)c2ccsc2)C3)c1 ZINC000096205873 570478969 /nfs/dbraw/zinc/47/89/69/570478969.db2.gz POZLIVISDJDLHC-QUCCMNQESA-N 0 0 356.491 3.911 40 0 FHABRN O=C(c1ccc2ccccc2n1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096238380 570479445 /nfs/dbraw/zinc/47/94/45/570479445.db2.gz RXWIGZDWIUXBBU-HSZRJFAPSA-N 0 0 371.440 3.504 40 0 FHABRN Cc1ccccc1NC(=O)N1CCc2onc(COc3cccnc3)c2C1 ZINC000096260064 570479945 /nfs/dbraw/zinc/47/99/45/570479945.db2.gz GTTMLMRHCFWNHL-UHFFFAOYSA-N 0 0 364.405 3.547 40 0 FHABRN CC(C)OCc1ncn2c1CN(C(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000096259939 570479949 /nfs/dbraw/zinc/47/99/49/570479949.db2.gz UAJOMXSKBRLZLB-UHFFFAOYSA-N 0 0 362.861 3.899 40 0 FHABRN Cc1ccc(NC(=O)N2CCc3onc(COc4cccnc4)c3C2)cc1 ZINC000096260067 570479974 /nfs/dbraw/zinc/47/99/74/570479974.db2.gz 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363.348 3.695 40 0 FHABRN CC1=N[C@@H]2C=C(OC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C=C[C@@H]2S1 ZINC000039954426 570836575 /nfs/dbraw/zinc/83/65/75/570836575.db2.gz RVZDPDIOANUWFS-BMFZPTHFSA-N 0 0 350.484 3.616 40 0 FHABRN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(OC)cc2)N1 ZINC000015223956 570848427 /nfs/dbraw/zinc/84/84/27/570848427.db2.gz FXJRBEJCKUUZQK-MRXNPFEDSA-N 0 0 358.360 3.728 40 0 FHABRN CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000014398511 570848737 /nfs/dbraw/zinc/84/87/37/570848737.db2.gz RYUIDINRRINPKL-CQSZACIVSA-N 0 0 358.413 3.714 40 0 FHABRN C=C(c1ccc(N2CCOCC2)s1)c1ccc(N2CCOCC2)s1 ZINC000016138230 570851137 /nfs/dbraw/zinc/85/11/37/570851137.db2.gz ADDZVNSXQGMKHO-UHFFFAOYSA-N 0 0 362.520 3.544 40 0 FHABRN COc1ccc(C2=NN(c3nc(C)cc(=O)[nH]3)[C@H](c3cccs3)C2)cc1 ZINC000016283581 570853630 /nfs/dbraw/zinc/85/36/30/570853630.db2.gz OMLGOJNHFRIVNF-INIZCTEOSA-N 0 0 366.446 3.504 40 0 FHABRN Cc1cc(-c2ccccc2)nc(SC[C@@H](O)COc2ccccc2)n1 ZINC000016283903 570853645 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FHABRN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000016740376 570861440 /nfs/dbraw/zinc/86/14/40/570861440.db2.gz GLVYAPJUYSPOMQ-OAHLLOKOSA-N 0 0 360.479 3.633 40 0 FHABRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000015609590 570863635 /nfs/dbraw/zinc/86/36/35/570863635.db2.gz WGFKNYYJZFAIQB-UHFFFAOYSA-N 0 0 373.250 3.937 40 0 FHABRN O=C(NC1=N[C@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)c1ccccc1 ZINC000017074549 570866879 /nfs/dbraw/zinc/86/68/79/570866879.db2.gz GZFWQNNKEHHSEK-ZWKOTPCHSA-N 0 0 362.433 3.631 40 0 FHABRN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000017073493 570869357 /nfs/dbraw/zinc/86/93/57/570869357.db2.gz YZOPOAMHNDFDTO-UHFFFAOYSA-N 0 0 355.463 3.779 40 0 FHABRN Cc1ccc(CSCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000017603709 570873304 /nfs/dbraw/zinc/87/33/04/570873304.db2.gz GELSRBNVTPBFDX-UHFFFAOYSA-N 0 0 368.502 3.785 40 0 FHABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc2ccccc21 ZINC000019982963 570874593 /nfs/dbraw/zinc/87/45/93/570874593.db2.gz UOQWVLLRJDEFFL-UHFFFAOYSA-N 0 0 366.804 3.857 40 0 FHABRN Cc1ccc(-c2nnc(CNC(=O)C3(c4ccccc4F)CC3)o2)s1 ZINC000019217882 570882344 /nfs/dbraw/zinc/88/23/44/570882344.db2.gz NCBAXWBQUPIGOY-UHFFFAOYSA-N 0 0 357.410 3.594 40 0 FHABRN CNc1cc(C[C@H](NC(=O)C2CC2)c2cccc(C)c2)nc(C2CC2)n1 ZINC000019234473 570882978 /nfs/dbraw/zinc/88/29/78/570882978.db2.gz YBZQKQKNBAZISE-SFHVURJKSA-N 0 0 350.466 3.514 40 0 FHABRN Cn1ccnc1[C@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(F)cc1 ZINC000019291207 570884838 /nfs/dbraw/zinc/88/48/38/570884838.db2.gz WXBGKAAWALLTJY-GOSISDBHSA-N 0 0 366.371 3.699 40 0 FHABRN COc1ccc(CN2CCCCC[C@H]2c2ccn(C)n2)c(OC)c1OC ZINC000019291072 570884848 /nfs/dbraw/zinc/88/48/48/570884848.db2.gz BJKYQHSUTHAPAS-KRWDZBQOSA-N 0 0 359.470 3.563 40 0 FHABRN Cn1nc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000019288804 570884851 /nfs/dbraw/zinc/88/48/51/570884851.db2.gz UKJJCHWCLKMXDL-UHFFFAOYSA-N 0 0 358.389 3.807 40 0 FHABRN Cn1nc(C2CCN(C(=O)c3ccncc3)CC2)cc1-c1cccc(F)c1 ZINC000019288863 570884866 /nfs/dbraw/zinc/88/48/66/570884866.db2.gz LXLOEOVZQGOGCY-UHFFFAOYSA-N 0 0 364.424 3.641 40 0 FHABRN O=C(CCc1[nH]nc2c1CCCC2)NCC1(c2cccc(F)c2)CCCC1 ZINC000019293641 570885298 /nfs/dbraw/zinc/88/52/98/570885298.db2.gz HSTMTNJAZIPEQJ-UHFFFAOYSA-N 0 0 369.484 3.988 40 0 FHABRN O=c1cc([C@@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2ccncc2)[nH]1 ZINC000019334146 570886094 /nfs/dbraw/zinc/88/60/94/570886094.db2.gz PJIMHKNSVWFAGN-IBGZPJMESA-N 0 0 364.424 3.698 40 0 FHABRN COc1ccc(Cc2cnc(NC(=O)Cn3ccnc3C(C)C)s2)cc1 ZINC000019454439 570889524 /nfs/dbraw/zinc/88/95/24/570889524.db2.gz JWYUWPRLILRTND-UHFFFAOYSA-N 0 0 370.478 3.701 40 0 FHABRN C[C@@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 ZINC000019459114 570889677 /nfs/dbraw/zinc/88/96/77/570889677.db2.gz WDDKDFMZJNLSRF-MRXNPFEDSA-N 0 0 352.482 3.514 40 0 FHABRN C[C@H](Cc1ccccn1)NC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000019456988 570889692 /nfs/dbraw/zinc/88/96/92/570889692.db2.gz PILYLAIVUQJPJL-OLZOCXBDSA-N 0 0 352.356 3.615 40 0 FHABRN COCCn1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c2ccccc21 ZINC000019458666 570889705 /nfs/dbraw/zinc/88/97/05/570889705.db2.gz LLZFLDNNHJJXRI-CQSZACIVSA-N 0 0 370.424 3.926 40 0 FHABRN C[C@H](Cn1cc(Cl)cn1)c1cc(=O)[nH]c(N[C@H](C)c2ccccc2)n1 ZINC000019457422 570889715 /nfs/dbraw/zinc/88/97/15/570889715.db2.gz VFZAXPOJJUJJBU-CHWSQXEVSA-N 0 0 357.845 3.597 40 0 FHABRN C[C@@H](Cc1ccccn1)NC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000019456986 570889720 /nfs/dbraw/zinc/88/97/20/570889720.db2.gz PILYLAIVUQJPJL-STQMWFEESA-N 0 0 352.356 3.615 40 0 FHABRN C[C@@H](NC(=O)CCn1c(C(F)(F)F)cc2cccnc21)c1ccncc1 ZINC000019459731 570890261 /nfs/dbraw/zinc/89/02/61/570890261.db2.gz AODRKFUIBIQGTB-GFCCVEGCSA-N 0 0 362.355 3.718 40 0 FHABRN CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(NC)nc(C2CC2)n1 ZINC000019499229 570890584 /nfs/dbraw/zinc/89/05/84/570890584.db2.gz SLWJCWVMBBNQFH-KRWDZBQOSA-N 0 0 363.465 3.687 40 0 FHABRN CCCC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1 ZINC000019501714 570890593 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HSKBIFQDLWFKRV-MRXNPFEDSA-N 0 0 353.340 3.762 40 0 FHABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000019928099 527079708 /nfs/dbraw/zinc/07/97/08/527079708.db2.gz IKYCUVQDHMUTNY-WDMOLILDSA-N 0 0 363.870 3.787 40 0 FHABRN CCOCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257294041 528556723 /nfs/dbraw/zinc/55/67/23/528556723.db2.gz QSEPQYZCNTUHKD-OAHLLOKOSA-N 0 0 362.857 3.661 40 0 FHABRN COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(F)cc3)n2)cc1 ZINC000067898787 560049676 /nfs/dbraw/zinc/04/96/76/560049676.db2.gz BZUWEDUZFRMWRF-FQEVSTJZSA-N 0 0 367.424 3.798 40 0 biogenic,in-vitro FHABRN CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)C1CC1 ZINC000067889966 560050159 /nfs/dbraw/zinc/05/01/59/560050159.db2.gz JNURUDAGUVHSQV-BEFAXECRSA-N 0 0 354.450 3.737 40 0 biogenic,in-vitro FHABRN COc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000001107903 560180429 /nfs/dbraw/zinc/18/04/29/560180429.db2.gz IEVLBLHBVULADI-UHFFFAOYSA-N 0 0 355.312 3.984 40 0 biogenic,in-vitro FHABRN 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40 0 FHABRN Cc1cc(OCC(=O)NCCSC(C)(C)C)ccc1Br ZINC000218822753 568253035 /nfs/dbraw/zinc/25/30/35/568253035.db2.gz LUKMYAILMATTSA-UHFFFAOYSA-N 0 0 360.317 3.784 40 0 FHABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1OC ZINC000219516745 568282992 /nfs/dbraw/zinc/28/29/92/568282992.db2.gz GBIFANWVSUSIFS-QGZVFWFLSA-N 0 0 371.477 3.837 40 0 FHABRN CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccccc2OC)c1C ZINC000219560077 568287919 /nfs/dbraw/zinc/28/79/19/568287919.db2.gz MTNUJQRFKOJDCF-QGZVFWFLSA-N 0 0 371.433 3.976 40 0 FHABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccccc2OC)c1 ZINC000219560241 568287972 /nfs/dbraw/zinc/28/79/72/568287972.db2.gz HEXSPGKUTUGADM-QGZVFWFLSA-N 0 0 371.433 3.976 40 0 FHABRN CC[C@H](Oc1cccc(C)c1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000219318892 568288965 /nfs/dbraw/zinc/28/89/65/568288965.db2.gz ZBXMQVBDLXILJP-SFHVURJKSA-N 0 0 365.433 3.827 40 0 FHABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000219578462 568289861 /nfs/dbraw/zinc/28/98/61/568289861.db2.gz DOVKLAUPLRNACE-QGZVFWFLSA-N 0 0 356.397 3.749 40 0 FHABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000219599892 568292120 /nfs/dbraw/zinc/29/21/20/568292120.db2.gz NDLNYVRVHNRXPY-SFHVURJKSA-N 0 0 365.433 3.861 40 0 FHABRN Cc1cccc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000220116753 568322781 /nfs/dbraw/zinc/32/27/81/568322781.db2.gz KUTNBYZFCSEQTB-MRXNPFEDSA-N 0 0 374.506 3.912 40 0 FHABRN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220494009 568344851 /nfs/dbraw/zinc/34/48/51/568344851.db2.gz DAMBEIOZBMZDFZ-IBGZPJMESA-N 0 0 374.506 3.795 40 0 FHABRN COCCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O ZINC000409138112 568360164 /nfs/dbraw/zinc/36/01/64/568360164.db2.gz YVRSTCYGFUTFCG-YRNVUSSQSA-N 0 0 362.234 3.685 40 0 FHABRN CCc1cccc(C)c1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 ZINC000222396121 568522952 /nfs/dbraw/zinc/52/29/52/568522952.db2.gz QKBQKYABRCHEMT-UHFFFAOYSA-N 0 0 374.506 3.986 40 0 FHABRN CC[C@@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)cc1 ZINC000222440932 568527891 /nfs/dbraw/zinc/52/78/91/568527891.db2.gz LTCXBTUGOMCPKA-GOSISDBHSA-N 0 0 374.506 3.580 40 0 FHABRN CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1 ZINC000222462407 568529787 /nfs/dbraw/zinc/52/97/87/568529787.db2.gz LHGDKFUNSHRWQA-GOSISDBHSA-N 0 0 374.506 3.580 40 0 FHABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000222526885 568536072 /nfs/dbraw/zinc/53/60/72/568536072.db2.gz ZDTGXRAFMPAQRB-MRXNPFEDSA-N 0 0 372.896 3.663 40 0 FHABRN COc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC ZINC000222575474 568541349 /nfs/dbraw/zinc/54/13/49/568541349.db2.gz WSQPAEVDIUXOLO-AFAVFJNCSA-N 0 0 355.463 3.688 40 0 FHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222584574 568542297 /nfs/dbraw/zinc/54/22/97/568542297.db2.gz IQDPBPJXLCNFBN-MRXNPFEDSA-N 0 0 372.896 3.663 40 0 FHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222605868 568544542 /nfs/dbraw/zinc/54/45/42/568544542.db2.gz MXDKVYYSIBOYBE-FQEVSTJZSA-N 0 0 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/nfs/dbraw/zinc/77/62/78/534776278.db2.gz OIANMIKRQSNEFF-IBGZPJMESA-N 0 0 356.514 3.801 40 0 FHABRN Cc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)o2)cc1C ZINC000020196955 524696851 /nfs/dbraw/zinc/69/68/51/524696851.db2.gz IKNZGQFLWSVZBD-UHFFFAOYSA-N 0 0 359.495 3.818 40 0 FHABRN COc1ccc(SCC(=O)NCc2ccccc2Cl)cc1OC ZINC000019932232 525101175 /nfs/dbraw/zinc/10/11/75/525101175.db2.gz DPVGMEGCKNVVEF-UHFFFAOYSA-N 0 0 351.855 3.766 40 0 FHABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1ccnc1 ZINC000020452579 525924618 /nfs/dbraw/zinc/92/46/18/525924618.db2.gz MRZAFIJVVPKGFW-CQSZACIVSA-N 0 0 355.825 3.609 40 0 FHABRN C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000020494742 525962701 /nfs/dbraw/zinc/96/27/01/525962701.db2.gz CEEQCOMXQZGTSL-AWEZNQCLSA-N 0 0 355.825 3.609 40 0 FHABRN O[C@H](c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000087493531 526301563 /nfs/dbraw/zinc/30/15/63/526301563.db2.gz ILGFZUOECWZHHN-MRXNPFEDSA-N 0 0 353.340 3.762 40 0 FHABRN CCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1 ZINC000057669742 534942304 /nfs/dbraw/zinc/94/23/04/534942304.db2.gz KERCTTKKZWYQRJ-SFHVURJKSA-N 0 0 374.508 3.621 40 0 FHABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000222981321 535817702 /nfs/dbraw/zinc/81/77/02/535817702.db2.gz LCSZMLVLUXJADY-OAQYLSRUSA-N 0 0 370.468 3.949 40 0 FHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000044846217 536045725 /nfs/dbraw/zinc/04/57/25/536045725.db2.gz AZIGUIQCSXVYLC-NRFANRHFSA-N 0 0 370.468 3.949 40 0 FHABRN COc1cccc2[nH]c(C[C@H]3C[N@H+](CC(C)(C)C)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288612 560034749 /nfs/dbraw/zinc/03/47/49/560034749.db2.gz JCTVSULGUWMMCR-GJZGRUSLSA-N 0 0 373.497 3.573 40 0 biogenic,in-vitro FHABRN COc1ccc2[nH]c(CO[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3F)nc2c1 ZINC000096112268 560060766 /nfs/dbraw/zinc/06/07/66/560060766.db2.gz XNKAYVAJIXNHAL-XLIONFOSSA-N 0 0 369.440 3.619 40 0 biogenic,in-vitro FHABRN Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(C(C)C)no2)cc1 ZINC000015676020 560094618 /nfs/dbraw/zinc/09/46/18/560094618.db2.gz ZWDBFKRLRJHVPZ-INIZCTEOSA-N 0 0 366.425 3.556 40 0 biogenic,in-vitro FHABRN COc1c(O)c2cc(c1OC)-c1cc(ccc1O)CC[C@@H](O)CCCC2 ZINC000014611785 560222954 /nfs/dbraw/zinc/22/29/54/560222954.db2.gz SBGBAZQAEOWGFT-HNNXBMFYSA-N 0 0 358.434 3.802 40 0 biogenic,in-vitro FHABRN O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2c[nH]c3ccccc23)C1 ZINC000015674091 560230919 /nfs/dbraw/zinc/23/09/19/560230919.db2.gz HBPGUVITYAAWBI-APWZRJJASA-N 0 0 360.417 3.526 40 0 biogenic,in-vitro FHABRN Cc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C)c(F)c3)no2)cc1 ZINC000015674334 560231121 /nfs/dbraw/zinc/23/11/21/560231121.db2.gz BMIBWFRRQPEUEB-MJGOQNOKSA-N 0 0 367.424 3.800 40 0 biogenic,in-vitro FHABRN COc1cc(OC)cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000218896704 568256331 /nfs/dbraw/zinc/25/63/31/568256331.db2.gz OMCRREDISMHNRP-GOSISDBHSA-N 0 0 371.433 3.501 40 0 FHABRN CCCOc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1 ZINC000218982403 568260465 /nfs/dbraw/zinc/26/04/65/568260465.db2.gz YZSNBXWZDALESR-UHFFFAOYSA-N 0 0 357.450 3.855 40 0 FHABRN CCCCC(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057327686 568268959 /nfs/dbraw/zinc/26/89/59/568268959.db2.gz UEDJNXDKOJISAH-UHFFFAOYSA-N 0 0 368.462 3.571 40 0 FHABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000219299984 568286333 /nfs/dbraw/zinc/28/63/33/568286333.db2.gz FZOCXSFOXZVOEL-OAHLLOKOSA-N 0 0 365.433 3.944 40 0 FHABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)COc1ccccc1C ZINC000219564328 568288458 /nfs/dbraw/zinc/28/84/58/568288458.db2.gz RVPXAGUBOLHVED-SJORKVTESA-N 0 0 357.450 3.745 40 0 FHABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000219380297 568295575 /nfs/dbraw/zinc/29/55/75/568295575.db2.gz VGUKDTUZKQBOAW-KRWDZBQOSA-N 0 0 365.433 3.827 40 0 FHABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000222400222 568523456 /nfs/dbraw/zinc/52/34/56/568523456.db2.gz LSMYJGMJSWXOLO-KRWDZBQOSA-N 0 0 370.518 3.641 40 0 FHABRN Cc1c(C(=O)Nc2ccc(C(C)C)cc2)cccc1N(C)S(C)(=O)=O ZINC000222426351 568526296 /nfs/dbraw/zinc/52/62/96/568526296.db2.gz REDYUROKVDHRNA-UHFFFAOYSA-N 0 0 360.479 3.767 40 0 FHABRN Cc1c(Cl)cccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C ZINC000222430316 568526746 /nfs/dbraw/zinc/52/67/46/568526746.db2.gz HQRUEHADWYKJIQ-UHFFFAOYSA-N 0 0 366.870 3.605 40 0 FHABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC)cc1 ZINC000222434789 568527086 /nfs/dbraw/zinc/52/70/86/568527086.db2.gz MSIHWKPWCYAQOA-SFHVURJKSA-N 0 0 366.505 3.653 40 0 FHABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000222436527 568527232 /nfs/dbraw/zinc/52/72/32/568527232.db2.gz RWNHFXJPQBPUBU-INIZCTEOSA-N 0 0 372.896 3.744 40 0 FHABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl ZINC000222483179 568531862 /nfs/dbraw/zinc/53/18/62/568531862.db2.gz SITYOCBQKFLKOA-INIZCTEOSA-N 0 0 372.896 3.744 40 0 FHABRN CN(c1ccc(Cl)c(C(=O)Nc2ccccc2Cl)c1)S(C)(=O)=O ZINC000222488694 568532603 /nfs/dbraw/zinc/53/26/03/568532603.db2.gz KKCHEAZVQTVXBD-UHFFFAOYSA-N 0 0 373.261 3.642 40 0 FHABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000222535564 568537377 /nfs/dbraw/zinc/53/73/77/568537377.db2.gz BSUDHTFAUZUKBY-INIZCTEOSA-N 0 0 372.896 3.663 40 0 FHABRN COc1ccc(-c2c(N)c(=O)n(-c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000222553444 568538743 /nfs/dbraw/zinc/53/87/43/568538743.db2.gz RSLATLALQBXKPG-UHFFFAOYSA-N 0 0 364.232 3.741 40 0 FHABRN COc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 ZINC000222562543 568539772 /nfs/dbraw/zinc/53/97/72/568539772.db2.gz QLKRUNSLKXAZMQ-IGNZVWTISA-N 0 0 355.463 3.688 40 0 FHABRN CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1O ZINC000222576617 568541503 /nfs/dbraw/zinc/54/15/03/568541503.db2.gz OIWNYCZLOPZXEH-UYHISHBKSA-N 0 0 355.463 3.775 40 0 FHABRN COC(=O)c1ccccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000222606628 568544692 /nfs/dbraw/zinc/54/46/92/568544692.db2.gz LAKVBJKBKHMLKP-UHFFFAOYSA-N 0 0 367.792 3.836 40 0 FHABRN COc1ccc(OC)c(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)c1 ZINC000222615473 568545854 /nfs/dbraw/zinc/54/58/54/568545854.db2.gz VIWBMVAVOFEEGW-UHFFFAOYSA-N 0 0 353.353 3.552 40 0 FHABRN COc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)c(OC)c1 ZINC000222624090 568546710 /nfs/dbraw/zinc/54/67/10/568546710.db2.gz HZXXDFZNMBAFIA-UHFFFAOYSA-N 0 0 353.353 3.552 40 0 FHABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222719019 568556604 /nfs/dbraw/zinc/55/66/04/568556604.db2.gz NBYIAYRWGZLJAC-CRAIPNDOSA-N 0 0 355.434 3.801 40 0 FHABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc(C)c1 ZINC000222756704 568560030 /nfs/dbraw/zinc/56/00/30/568560030.db2.gz ZRSCEZVNJCOZEC-SFHVURJKSA-N 0 0 355.434 3.801 40 0 FHABRN COc1cc(CNC(=O)COc2cccc(Cl)c2)ccc1OC(C)C ZINC000222767487 568560891 /nfs/dbraw/zinc/56/08/91/568560891.db2.gz IHQJITVLIKHHLK-UHFFFAOYSA-N 0 0 363.841 3.831 40 0 FHABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000222769452 568561169 /nfs/dbraw/zinc/56/11/69/568561169.db2.gz LNEWKZAFBQKQGQ-CHWSQXEVSA-N 0 0 368.325 3.898 40 0 FHABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000222769327 568561252 /nfs/dbraw/zinc/56/12/52/568561252.db2.gz LNEWKZAFBQKQGQ-OLZOCXBDSA-N 0 0 368.325 3.898 40 0 FHABRN CCOc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1Cl ZINC000222784734 568562648 /nfs/dbraw/zinc/56/26/48/568562648.db2.gz NXLQLYZIOVFIND-UHFFFAOYSA-N 0 0 358.869 3.921 40 0 FHABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000222815308 568566674 /nfs/dbraw/zinc/56/66/74/568566674.db2.gz OYXHQSAPYUWHOB-OALUTQOASA-N 0 0 363.490 3.648 40 0 FHABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccn1 ZINC000222831307 568569020 /nfs/dbraw/zinc/56/90/20/568569020.db2.gz WIWRVQYVMCXQON-OAHLLOKOSA-N 0 0 373.884 3.569 40 0 FHABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222864531 568573719 /nfs/dbraw/zinc/57/37/19/568573719.db2.gz SPNVKPHVBFSUCO-MRXNPFEDSA-N 0 0 370.468 3.700 40 0 FHABRN CCc1ccc(O[C@H](CC)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000222877923 568575001 /nfs/dbraw/zinc/57/50/01/568575001.db2.gz MVHGKCVBWZVWAZ-JOCHJYFZSA-N 0 0 366.505 3.751 40 0 FHABRN CCc1ccc(O[C@@H](CC)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000222877869 568575010 /nfs/dbraw/zinc/57/50/10/568575010.db2.gz MVHGKCVBWZVWAZ-QFIPXVFZSA-N 0 0 366.505 3.751 40 0 FHABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C ZINC000222928634 568579329 /nfs/dbraw/zinc/57/93/29/568579329.db2.gz XJBXDQWHKOOGBW-HNNXBMFYSA-N 0 0 359.491 3.922 40 0 FHABRN O=C(COc1ccccc1)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000222952047 568581662 /nfs/dbraw/zinc/58/16/62/568581662.db2.gz FFQAIHFMMCOBHX-UHFFFAOYSA-N 0 0 369.852 3.885 40 0 FHABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000222967133 568583088 /nfs/dbraw/zinc/58/30/88/568583088.db2.gz VEHBJIQLUVJKCV-IBGZPJMESA-N 0 0 370.518 3.641 40 0 FHABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000223018626 568592409 /nfs/dbraw/zinc/59/24/09/568592409.db2.gz MPEUYHJSPJVUPZ-INIZCTEOSA-N 0 0 361.825 3.851 40 0 FHABRN Cc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000223029307 568594535 /nfs/dbraw/zinc/59/45/35/568594535.db2.gz GVCZOKKNLUMVEG-ZHZULCJRSA-N 0 0 360.413 3.675 40 0 FHABRN COC(=O)c1ccccc1NC(=O)c1cc2cc(OC)ccc2nc1C ZINC000025764997 568595823 /nfs/dbraw/zinc/59/58/23/568595823.db2.gz PHYBJGXCSBSPTL-UHFFFAOYSA-N 0 0 350.374 3.591 40 0 FHABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000223058161 568603428 /nfs/dbraw/zinc/60/34/28/568603428.db2.gz PXPZMXOGGHQENF-LJQANCHMSA-N 0 0 372.896 3.744 40 0 FHABRN COc1ccc(OC[C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1 ZINC000223078716 568606594 /nfs/dbraw/zinc/60/65/94/568606594.db2.gz MLLUHLNSPXVLNM-INIZCTEOSA-N 0 0 369.461 3.537 40 0 FHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223094128 568609296 /nfs/dbraw/zinc/60/92/96/568609296.db2.gz ZAVDAPTYNGCZGH-IBGZPJMESA-N 0 0 366.505 3.871 40 0 FHABRN CCOC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1C ZINC000223171015 568621684 /nfs/dbraw/zinc/62/16/84/568621684.db2.gz DHZSQFDJXVHATA-UHFFFAOYSA-N 0 0 367.445 3.859 40 0 FHABRN CCc1ccc(CC)c(CNC(=O)CCc2ccc3c(c2)OCCO3)c1 ZINC000223238663 568629139 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CC(C)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000019666622 570898320 /nfs/dbraw/zinc/89/83/20/570898320.db2.gz NQEHKBFQOHIVLY-QGZVFWFLSA-N 0 0 363.461 3.875 40 0 FHABRN Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)cn1 ZINC000019687857 570898354 /nfs/dbraw/zinc/89/83/54/570898354.db2.gz MHQHXMNGZQXLFT-NRFANRHFSA-N 0 0 358.445 3.748 40 0 FHABRN CC(C)NC(=O)c1cccnc1[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000019709398 570899031 /nfs/dbraw/zinc/89/90/31/570899031.db2.gz DWYOGPCRROAVAI-SFHVURJKSA-N 0 0 371.525 3.896 40 0 FHABRN COc1ccc(CNc2ccc([C@@H]3CCc4nncn4C3)cc2)c(OC)c1 ZINC000019699133 570899064 /nfs/dbraw/zinc/89/90/64/570899064.db2.gz WKYRFAPCTILUBF-QGZVFWFLSA-N 0 0 364.449 3.637 40 0 FHABRN Cc1nn(C)c(C)c1NC(=O)CN(Cc1ccccc1F)C1CCCC1 ZINC000019715542 570899265 /nfs/dbraw/zinc/89/92/65/570899265.db2.gz NERBQLYELYYVGJ-UHFFFAOYSA-N 0 0 358.461 3.559 40 0 FHABRN CCn1nc([C@H](C)C(=O)Nc2nc(C(C)C)cs2)c2ccccc2c1=O ZINC000019716968 570899720 /nfs/dbraw/zinc/89/97/20/570899720.db2.gz 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CCOC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 ZINC000087493617 520853386 /nfs/dbraw/zinc/85/33/86/520853386.db2.gz KJGRZIXFPOZUNM-INIZCTEOSA-N 0 0 373.474 3.631 40 0 FHABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2F)c(Cl)c1 ZINC000020108012 521521206 /nfs/dbraw/zinc/52/12/06/521521206.db2.gz JKMMLAMVCRJBML-UHFFFAOYSA-N 0 0 371.817 3.598 40 0 FHABRN CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000019933368 521925572 /nfs/dbraw/zinc/92/55/72/521925572.db2.gz TULZSWFXJAIVKN-OAHLLOKOSA-N 0 0 357.450 3.692 40 0 FHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000216376804 522875149 /nfs/dbraw/zinc/87/51/49/522875149.db2.gz KLOHRVJHXURQGN-SFHVURJKSA-N 0 0 373.449 3.528 40 0 FHABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000020495739 522884380 /nfs/dbraw/zinc/88/43/80/522884380.db2.gz ZAERIFXQKOVOES-INIZCTEOSA-N 0 0 363.841 3.831 40 0 FHABRN CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)Cc1ccccc1 ZINC000020478034 523714189 /nfs/dbraw/zinc/71/41/89/523714189.db2.gz GGQUCLDSWPKBIO-UHFFFAOYSA-N 0 0 360.417 3.768 40 0 FHABRN Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)c1C ZINC000020494697 524778974 /nfs/dbraw/zinc/77/89/74/524778974.db2.gz CLUMUKYHJZMUBT-QGZVFWFLSA-N 0 0 356.441 3.559 40 0 FHABRN COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000020460390 524944300 /nfs/dbraw/zinc/94/43/00/524944300.db2.gz RJHDBQGBZKQPAO-OAHLLOKOSA-N 0 0 373.449 3.749 40 0 FHABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000020459333 525106773 /nfs/dbraw/zinc/10/67/73/525106773.db2.gz YXCVTZCMUKJGDE-AWEZNQCLSA-N 0 0 370.474 3.941 40 0 FHABRN COc1ccc(S[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020108975 525111958 /nfs/dbraw/zinc/11/19/58/525111958.db2.gz LWUCWPPGIUCPFI-OAHLLOKOSA-N 0 0 374.481 3.664 40 0 FHABRN COc1ccc([C@H](CC(C)C)NC(=O)COc2ccccc2OC)cc1 ZINC000020493599 525348379 /nfs/dbraw/zinc/34/83/79/525348379.db2.gz KKARYLQQDOAWAU-SFHVURJKSA-N 0 0 357.450 3.986 40 0 FHABRN C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1-n1ccnc1 ZINC000020493481 525962584 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/nfs/dbraw/zinc/15/35/69/527153569.db2.gz CCZZKOXFEYOAKL-UHFFFAOYSA-N 0 0 359.179 3.891 40 0 FHABRN Cc1nccn1-c1ccc(CNC(=O)COc2cc(C)cc(C)c2C)cc1 ZINC000020462242 527369559 /nfs/dbraw/zinc/36/95/59/527369559.db2.gz DSFRCOVJAPLYPG-UHFFFAOYSA-N 0 0 363.461 3.801 40 0 FHABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000113970325 535817831 /nfs/dbraw/zinc/81/78/31/535817831.db2.gz VDOHALUTAURLAI-HXUWFJFHSA-N 0 0 352.478 3.810 40 0 FHABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000222951309 536045191 /nfs/dbraw/zinc/04/51/91/536045191.db2.gz HOLDBJIOBDAQJN-FQEVSTJZSA-N 0 0 370.468 3.949 40 0 FHABRN Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccn3)n2)cc1 ZINC000067898537 560049936 /nfs/dbraw/zinc/04/99/36/560049936.db2.gz USHJFVFPXNDYLM-SFHVURJKSA-N 0 0 354.841 3.699 40 0 biogenic,in-vitro FHABRN CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCOCC1)CC2 ZINC000004222672 560197580 /nfs/dbraw/zinc/19/75/80/560197580.db2.gz AOFWOFXKCVSUSB-FUHWJXTLSA-N 0 0 359.510 3.692 40 0 biogenic,in-vitro FHABRN Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(F)cc3)n2)cc1F ZINC000015674310 560231044 /nfs/dbraw/zinc/23/10/44/560231044.db2.gz IUYCTUVUOAJAHC-AEFFLSMTSA-N 0 0 371.387 3.631 40 0 biogenic,in-vitro FHABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2ccc(Cl)cc2)C1 ZINC000015674904 560231231 /nfs/dbraw/zinc/23/12/31/560231231.db2.gz SDIUYVUBCHWKEZ-SJORKVTESA-N 0 0 373.815 3.837 40 0 biogenic,in-vitro FHABRN Cc1cc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1 ZINC000216354318 568119430 /nfs/dbraw/zinc/11/94/30/568119430.db2.gz ZOCSECQRNFHBRG-UHFFFAOYSA-N 0 0 366.870 3.889 40 0 FHABRN CCOc1ccc(CCC(=O)Nc2cccc(C(=O)OC)c2)cc1OCC ZINC000216441123 568123564 /nfs/dbraw/zinc/12/35/64/568123564.db2.gz JVJASGLRTMRYOA-UHFFFAOYSA-N 0 0 371.433 3.842 40 0 FHABRN Cn1ccnc1[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022197028 568220100 /nfs/dbraw/zinc/22/01/00/568220100.db2.gz DPWBKXUOTPSOHD-QYZOEREBSA-N 0 0 367.399 3.708 40 0 FHABRN COc1cc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)ccc1OC(C)C ZINC000218970753 568259779 /nfs/dbraw/zinc/25/97/79/568259779.db2.gz NQWQGWQVCFYLGB-MRXNPFEDSA-N 0 0 357.450 3.875 40 0 FHABRN COc1ccc(OC[C@H](C)NC(=O)CCSCc2ccccc2)cc1 ZINC000218995056 568260930 /nfs/dbraw/zinc/26/09/30/568260930.db2.gz CRCULFPIGQQACO-INIZCTEOSA-N 0 0 359.491 3.902 40 0 FHABRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1 ZINC000219061920 568264538 /nfs/dbraw/zinc/26/45/38/568264538.db2.gz OIECDVACAIOUHH-CYBMUJFWSA-N 0 0 371.824 3.782 40 0 FHABRN COc1ccc(CNC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219456192 568276083 /nfs/dbraw/zinc/27/60/83/568276083.db2.gz JUGSEYFGHHZCBR-UHFFFAOYSA-N 0 0 374.440 3.905 40 0 FHABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2OC)c1C ZINC000219497432 568280620 /nfs/dbraw/zinc/28/06/20/568280620.db2.gz BRURSKIHKPKWSB-AWEZNQCLSA-N 0 0 357.406 3.586 40 0 FHABRN Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCSCC2)cc1 ZINC000057613878 568284507 /nfs/dbraw/zinc/28/45/07/568284507.db2.gz KOSBCSFWBWHETH-SFHVURJKSA-N 0 0 357.527 3.625 40 0 FHABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1ccccc1OC ZINC000219557633 568287630 /nfs/dbraw/zinc/28/76/30/568287630.db2.gz DEPIRVJYLZZUEI-QGZVFWFLSA-N 0 0 357.450 3.610 40 0 FHABRN CC[C@H](Oc1ccccc1C)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219313158 568288205 /nfs/dbraw/zinc/28/82/05/568288205.db2.gz KUHHJYYBEXKSHH-SFHVURJKSA-N 0 0 371.477 3.919 40 0 FHABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1Cl ZINC000220020979 568317027 /nfs/dbraw/zinc/31/70/27/568317027.db2.gz UCFVUJMSRNLTKW-UHFFFAOYSA-N 0 0 355.825 3.981 40 0 FHABRN CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220132574 568323863 /nfs/dbraw/zinc/32/38/63/568323863.db2.gz FQVFJMPRIBSWGY-MRXNPFEDSA-N 0 0 374.506 3.659 40 0 FHABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000220260886 568331634 /nfs/dbraw/zinc/33/16/34/568331634.db2.gz WMTIYYFVLLTPNN-INIZCTEOSA-N 0 0 374.506 3.659 40 0 FHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000024218483 568458113 /nfs/dbraw/zinc/45/81/13/568458113.db2.gz VEMXFXUTENKOCP-KBPBESRZSA-N 0 0 358.413 3.760 40 0 FHABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl ZINC000222391670 568522400 /nfs/dbraw/zinc/52/24/00/568522400.db2.gz GLEXQFKNZUUWLK-INIZCTEOSA-N 0 0 372.896 3.744 40 0 FHABRN Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1N(C)S(C)(=O)=O ZINC000222467812 568530229 /nfs/dbraw/zinc/53/02/29/568530229.db2.gz LHNHBEOJHACLAX-UHFFFAOYSA-N 0 0 360.479 3.767 40 0 FHABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000222518269 568535086 /nfs/dbraw/zinc/53/50/86/568535086.db2.gz WYDRRCNGKUMRQC-INIZCTEOSA-N 0 0 372.896 3.744 40 0 FHABRN COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC ZINC000222562771 568539869 /nfs/dbraw/zinc/53/98/69/568539869.db2.gz IUVZXXMQAHBBTI-UYHISHBKSA-N 0 0 355.463 3.688 40 0 FHABRN CC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 ZINC000222584068 568542274 /nfs/dbraw/zinc/54/22/74/568542274.db2.gz DZSKHGRTFAKDBI-UHFFFAOYSA-N 0 0 364.380 3.802 40 0 FHABRN COc1ccc(CCNC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 ZINC000222601515 568543975 /nfs/dbraw/zinc/54/39/75/568543975.db2.gz IHVJYAPWVRVAQL-UHFFFAOYSA-N 0 0 367.836 3.778 40 0 FHABRN CC1(C)C[C@H](NC(=O)CCc2ccc3c(c2)OCO3)c2ccccc2O1 ZINC000222652412 568549915 /nfs/dbraw/zinc/54/99/15/568549915.db2.gz GKYGWWXULASSMV-INIZCTEOSA-N 0 0 353.418 3.767 40 0 FHABRN O=C(CCc1ccc(F)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000222693242 568554545 /nfs/dbraw/zinc/55/45/45/568554545.db2.gz IHHINLXZXHXZNY-UHFFFAOYSA-N 0 0 359.788 3.778 40 0 FHABRN CCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1F ZINC000222702876 568555444 /nfs/dbraw/zinc/55/54/44/568555444.db2.gz CHHOAVCLMZBOPA-UHFFFAOYSA-N 0 0 360.454 3.837 40 0 FHABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000222738012 568558319 /nfs/dbraw/zinc/55/83/19/568558319.db2.gz ZBOVDOGXYBUHBI-AWEZNQCLSA-N 0 0 353.418 3.743 40 0 FHABRN COc1ccc2c(c1)[C@H](NC(=O)COc1cccc(C)c1)CC(C)(C)O2 ZINC000222756622 568560029 /nfs/dbraw/zinc/56/00/29/568560029.db2.gz LUUSIXZMNRRFHT-GOSISDBHSA-N 0 0 355.434 3.801 40 0 FHABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000222769675 568561211 /nfs/dbraw/zinc/56/12/11/568561211.db2.gz SCFUPUIWWYCFLK-QWHCGFSZSA-N 0 0 368.325 3.898 40 0 FHABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000222797928 568564209 /nfs/dbraw/zinc/56/42/09/568564209.db2.gz BCDPDKNCOCTGHU-OALUTQOASA-N 0 0 364.474 3.570 40 0 FHABRN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c(C)c1C ZINC000222828568 568568401 /nfs/dbraw/zinc/56/84/01/568568401.db2.gz WSKMCECXYGELQF-UHFFFAOYSA-N 0 0 355.843 3.775 40 0 FHABRN CC[C@@H](NS(=O)(=O)c1cc(F)ccc1OC)c1ccc(OC)c(C)c1 ZINC000222825758 568568090 /nfs/dbraw/zinc/56/80/90/568568090.db2.gz VAVCSPIKPDAJQT-OAHLLOKOSA-N 0 0 367.442 3.581 40 0 FHABRN COC(=O)c1cccc(NC(=O)COc2cccc3c2CCCC3)c1C ZINC000222831472 568569056 /nfs/dbraw/zinc/56/90/56/568569056.db2.gz PHZSZDBNJZATSV-UHFFFAOYSA-N 0 0 353.418 3.678 40 0 FHABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222864473 568573680 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Cn1c2c(c(=O)n3c(C(=O)Nc4ccccc4)c4ccccc4c31)CCC2 ZINC000016740332 570861506 /nfs/dbraw/zinc/86/15/06/570861506.db2.gz FOOHZLVHSFKGNX-UHFFFAOYSA-N 0 0 357.413 3.532 40 0 FHABRN Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1 ZINC000016756011 570862029 /nfs/dbraw/zinc/86/20/29/570862029.db2.gz PQTQQHOUMBHLRF-UHFFFAOYSA-N 0 0 352.250 3.653 40 0 FHABRN O=C(NCc1ccccc1)[C@H](OC(=O)c1ccco1)c1ccccc1F ZINC000015936153 570864672 /nfs/dbraw/zinc/86/46/72/570864672.db2.gz RCKDKFKUKHCOMS-GOSISDBHSA-N 0 0 353.349 3.633 40 0 FHABRN CCOC(=O)c1cnc(SCc2ccc(Cl)cc2Cl)nc1N ZINC000032285650 570864688 /nfs/dbraw/zinc/86/46/88/570864688.db2.gz DMSRRTOPTSWSKM-UHFFFAOYSA-N 0 0 358.250 3.835 40 0 FHABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2C(N)=O)c2ccccc2)cc1 ZINC000039240121 570866904 /nfs/dbraw/zinc/86/69/04/570866904.db2.gz CPTIPUKMEVFGKF-HMMYKYKNSA-N 0 0 372.424 3.973 40 0 FHABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2C)cc1 ZINC000016504794 570867634 /nfs/dbraw/zinc/86/76/34/570867634.db2.gz DCIVUIXBEPSZKD-UHFFFAOYSA-N 0 0 374.506 3.597 40 0 FHABRN C[C@@H](NNC(=S)N1CC2CCC(CC2)C1)c1cc2ccccc2cn1 ZINC000017140898 570869247 /nfs/dbraw/zinc/86/92/47/570869247.db2.gz GMWYODAUHQQTQU-QQFBHYJXSA-N 0 0 354.523 3.797 40 0 FHABRN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)Nc2nc3ccccc3n21 ZINC000017073575 570869274 /nfs/dbraw/zinc/86/92/74/570869274.db2.gz BDTZVJBJCMJJRH-SFHVURJKSA-N 0 0 356.385 3.712 40 0 FHABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000018109363 570875243 /nfs/dbraw/zinc/87/52/43/570875243.db2.gz GBNDMJMRHUKKJA-QWHCGFSZSA-N 0 0 361.825 3.756 40 0 FHABRN Cc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)c(C)c1 ZINC000018165374 570876164 /nfs/dbraw/zinc/87/61/64/570876164.db2.gz WBPBIFBHZOFKSV-UHFFFAOYSA-N 0 0 369.534 3.622 40 0 FHABRN COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000020025465 570879123 /nfs/dbraw/zinc/87/91/23/570879123.db2.gz XNPSPBKYLBGUBK-LLVKDONJSA-N 0 0 364.239 3.957 40 0 FHABRN C[C@@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)n1cc(Cl)cn1 ZINC000019078231 570879834 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/nfs/dbraw/zinc/25/61/43/132256143.db2.gz HAFXMZWSRINAEU-UHFFFAOYSA-N 0 0 366.417 3.699 40 0 FHABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225004642 132283951 /nfs/dbraw/zinc/28/39/51/132283951.db2.gz FUKKOMQOJYGIDR-SFHVURJKSA-N 0 0 374.868 3.973 40 0 FHABRN O=C(Cc1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000225447745 132284970 /nfs/dbraw/zinc/28/49/70/132284970.db2.gz UYBRFMZBXIYAER-UHFFFAOYSA-N 0 0 366.358 3.736 40 0 FHABRN CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@@H]2C)n1 ZINC000225879467 132287153 /nfs/dbraw/zinc/28/71/53/132287153.db2.gz XZDSWNVCQBLEDX-ZDUSSCGKSA-N 0 0 357.483 3.564 40 0 FHABRN C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CCCCC3)n2)C1 ZINC000226009474 132287997 /nfs/dbraw/zinc/28/79/97/132287997.db2.gz WPNMEOMNRINKLL-LBPRGKRZSA-N 0 0 367.950 3.985 40 0 FHABRN S=C(Nc1nc(Cl)cc(N2CCCCC2)n1)NC1CCCCC1 ZINC000226009435 132288125 /nfs/dbraw/zinc/28/81/25/132288125.db2.gz IPHXJTGTHDPQFV-UHFFFAOYSA-N 0 0 353.923 3.739 40 0 FHABRN O=C([O-])C[N@H+](Cc1cccc(F)c1)C1CCN(c2ccccc2F)CC1 ZINC000257225783 132295063 /nfs/dbraw/zinc/29/50/63/132295063.db2.gz FHUMCUNAYZQPKB-UHFFFAOYSA-N 0 0 360.404 3.520 40 0 FHABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CC3)ncn1)C2 ZINC000329013072 132372502 /nfs/dbraw/zinc/37/25/02/132372502.db2.gz MNRZOACTCIVNPU-UHFFFAOYSA-N 0 0 350.344 3.512 40 0 FHABRN CC[C@H]1CCCCN1c1ncnc2c1nnn2Cc1ccccc1Cl ZINC000004966635 132825597 /nfs/dbraw/zinc/82/55/97/132825597.db2.gz LOONZKBQWDGXFU-AWEZNQCLSA-N 0 0 356.861 3.692 40 0 FHABRN O=C(c1ncoc1-c1ccccc1F)N1CCN(c2ccccc2F)CC1 ZINC000012115139 132852574 /nfs/dbraw/zinc/85/25/74/132852574.db2.gz CAJGNMVIRSJFNE-UHFFFAOYSA-N 0 0 369.371 3.582 40 0 FHABRN CCOc1ccc(-c2ccnc3nc(N4CCC(C)CC4)[nH]c(=O)c23)cc1 ZINC000022606950 132905941 /nfs/dbraw/zinc/90/59/41/132905941.db2.gz CWSDCMXZEXVWIJ-UHFFFAOYSA-N 0 0 364.449 3.620 40 0 FHABRN Cc1ccc(C)c(NC(=O)CN2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000057711310 136130070 /nfs/dbraw/zinc/13/00/70/136130070.db2.gz OIWLLLWTYOTADR-UHFFFAOYSA-N 0 0 351.494 3.681 40 0 FHABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000005464452 263341533 /nfs/dbraw/zinc/34/15/33/263341533.db2.gz CYHJDVWLUMALGS-INIZCTEOSA-N 0 0 352.434 3.694 40 0 FHABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccnc2)cc1 ZINC000006246729 263344322 /nfs/dbraw/zinc/34/43/22/263344322.db2.gz QOXJNBWQGXXISI-UHFFFAOYSA-N 0 0 361.401 3.500 40 0 FHABRN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)cc1 ZINC000006427048 263345315 /nfs/dbraw/zinc/34/53/15/263345315.db2.gz DZLATSLAKUBPRA-UHFFFAOYSA-N 0 0 354.435 3.520 40 0 FHABRN Cc1ccc(C)c(NC(=O)CSc2n[nH]c(COc3ccccc3)n2)c1 ZINC000006473062 263345359 /nfs/dbraw/zinc/34/53/59/263345359.db2.gz BRUVEUIZHQGQAO-UHFFFAOYSA-N 0 0 368.462 3.731 40 0 FHABRN CCCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000007263440 263349458 /nfs/dbraw/zinc/34/94/58/263349458.db2.gz YXEMXLSWQTVJFK-UHFFFAOYSA-N 0 0 357.845 3.928 40 0 FHABRN CCCCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1 ZINC000007262209 263349616 /nfs/dbraw/zinc/34/96/16/263349616.db2.gz XOOVWESWKKTVKN-UHFFFAOYSA-N 0 0 367.453 3.673 40 0 FHABRN CCCCCC(=O)Nc1cc(-c2nn3c(CC)nnc3s2)ccc1OC ZINC000010010257 263362961 /nfs/dbraw/zinc/36/29/61/263362961.db2.gz MXCZHVQUZMVGAW-UHFFFAOYSA-N 0 0 373.482 3.943 40 0 FHABRN CCOc1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000010294223 263364443 /nfs/dbraw/zinc/36/44/43/263364443.db2.gz HJYYMPUDEDUNTK-ZRDIBKRKSA-N 0 0 357.406 3.763 40 0 FHABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc3ccccc3n21 ZINC000017073394 263371434 /nfs/dbraw/zinc/37/14/34/263371434.db2.gz QMRLUIKHGPBIOZ-HNNXBMFYSA-N 0 0 354.797 3.520 40 0 FHABRN COc1cc(C=O)ccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000020393372 263379733 /nfs/dbraw/zinc/37/97/33/263379733.db2.gz SYRWOWNLIMTRNR-UHFFFAOYSA-N 0 0 368.414 3.649 40 0 FHABRN Cn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022112095 263384899 /nfs/dbraw/zinc/38/48/99/263384899.db2.gz LNNRCVZWTKAICD-UHFFFAOYSA-N 0 0 364.236 3.708 40 0 FHABRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1 ZINC000023042718 263386862 /nfs/dbraw/zinc/38/68/62/263386862.db2.gz CXSUPHXYROTONU-GCJKJVERSA-N 0 0 372.468 3.905 40 0 FHABRN CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000042646583 263402888 /nfs/dbraw/zinc/40/28/88/263402888.db2.gz IYQLPMKYSUGBKV-UHFFFAOYSA-N 0 0 363.461 3.763 40 0 FHABRN CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000042646499 263402966 /nfs/dbraw/zinc/40/29/66/263402966.db2.gz WAHOQAQDJCKALB-UHFFFAOYSA-N 0 0 354.450 3.852 40 0 FHABRN Cc1sc(NC(=O)COc2ccc(C=O)cc2)nc1-c1ccccc1 ZINC000408599846 263479150 /nfs/dbraw/zinc/47/91/50/263479150.db2.gz MMBLMPRSMZFZNK-UHFFFAOYSA-N 0 0 352.415 3.949 40 0 FHABRN CCc1ccc(N2C[C@H](C(=O)NC[C@H](C)c3ccccc3)CC2=O)cc1 ZINC000408707993 263488226 /nfs/dbraw/zinc/48/82/26/263488226.db2.gz MWWJTQLFJNQNNW-QFBILLFUSA-N 0 0 350.462 3.522 40 0 FHABRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 ZINC000408790624 263496186 /nfs/dbraw/zinc/49/61/86/263496186.db2.gz SXQOVEZHHPRSHS-DPWKNNTCSA-N 0 0 356.447 3.563 40 0 FHABRN CC[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000408997800 263515746 /nfs/dbraw/zinc/51/57/46/263515746.db2.gz IGENNIQAVPWNOE-GUYCJALGSA-N 0 0 359.470 3.518 40 0 FHABRN Cc1ccc(OCc2nn(CC(=O)Nc3ccccc3F)c(=S)o2)cc1 ZINC000409162418 263536465 /nfs/dbraw/zinc/53/64/65/263536465.db2.gz DTBSVGASCOAUCZ-UHFFFAOYSA-N 0 0 373.409 3.871 40 0 FHABRN CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OCC ZINC000409206443 263541568 /nfs/dbraw/zinc/54/15/68/263541568.db2.gz JOYIMEIGCOHVCK-SFQUDFHCSA-N 0 0 366.417 3.577 40 0 FHABRN CCOC(=O)N1NC2=C(C[C@@H](C(C)(C)CC)CC2)[C@]1(O)C(F)(F)F ZINC000409342625 263550113 /nfs/dbraw/zinc/55/01/13/263550113.db2.gz GVWXPHVSTHJFDU-PGUXBMHVSA-N 0 0 350.381 3.918 40 0 FHABRN CC(C)c1ccc(CCNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000020050751 519835679 /nfs/dbraw/zinc/83/56/79/519835679.db2.gz AVDJXBVRIRCCID-UHFFFAOYSA-N 0 0 364.489 3.905 40 0 FHABRN CCN(CC)c1cc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)ncn1 ZINC000079440087 520877949 /nfs/dbraw/zinc/87/79/49/520877949.db2.gz XRWUQSHQJHLQRU-HNNXBMFYSA-N 0 0 363.506 3.524 40 0 FHABRN CCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)cc2)c(C)c1 ZINC000020458443 521497015 /nfs/dbraw/zinc/49/70/15/521497015.db2.gz GEYDXDQJOVXJCV-UHFFFAOYSA-N 0 0 359.447 3.911 40 0 FHABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1ccnc1 ZINC000020493968 523050291 /nfs/dbraw/zinc/05/02/91/523050291.db2.gz GHPCGAVZSNCNMC-LJQANCHMSA-N 0 0 369.852 4.000 40 0 FHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1cccc(OC)c1 ZINC000020050184 523051880 /nfs/dbraw/zinc/05/18/80/523051880.db2.gz UOMTZRUSZPCKNX-HXUWFJFHSA-N 0 0 357.450 3.610 40 0 FHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000020454364 523052978 /nfs/dbraw/zinc/05/29/78/523052978.db2.gz KNLZOALURIJKJD-GOSISDBHSA-N 0 0 357.406 3.586 40 0 FHABRN CCn1c(SCc2nnc(-c3cccc(OC)c3)o2)nnc1C(C)C ZINC000020034460 523241933 /nfs/dbraw/zinc/24/19/33/523241933.db2.gz RIOGPZNVIVDYMK-UHFFFAOYSA-N 0 0 359.455 3.772 40 0 FHABRN COc1ccc(SCC(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000020462136 525101236 /nfs/dbraw/zinc/10/12/36/525101236.db2.gz KTIUHCMRMPSDIN-UHFFFAOYSA-N 0 0 351.855 3.766 40 0 FHABRN COc1ccc(S[C@H](C)C(=O)NCCCc2ccccc2)cc1OC ZINC000020106315 525110907 /nfs/dbraw/zinc/11/09/07/525110907.db2.gz FRZTTWBRVIUWMC-OAHLLOKOSA-N 0 0 359.491 3.933 40 0 FHABRN COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000020454255 525157896 /nfs/dbraw/zinc/15/78/96/525157896.db2.gz LHRZIAIUJLBGFA-GFCCVEGCSA-N 0 0 369.870 3.538 40 0 FHABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCCC3)c2)cc1 ZINC000020041492 525612781 /nfs/dbraw/zinc/61/27/81/525612781.db2.gz BYLFSGGTJOLZSR-UHFFFAOYSA-N 0 0 372.490 3.810 40 0 FHABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)NC1CCCCCCC1 ZINC000019937715 527322947 /nfs/dbraw/zinc/32/29/47/527322947.db2.gz WIVYEDHEBCXECV-UHFFFAOYSA-N 0 0 373.884 3.862 40 0 FHABRN CC(C)[C@H](CO)Nc1nc(C2CC2)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329034405 535037184 /nfs/dbraw/zinc/03/71/84/535037184.db2.gz QZEMZKMFEYSDSF-QRWLVFNGSA-N 0 0 366.509 3.734 40 0 FHABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225015311 536045131 /nfs/dbraw/zinc/04/51/31/536045131.db2.gz VSJOJXUXABSQDM-FQEVSTJZSA-N 0 0 368.477 3.936 40 0 FHABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225004743 536047789 /nfs/dbraw/zinc/04/77/89/536047789.db2.gz MTXCBDONXWRDDX-IBGZPJMESA-N 0 0 374.868 3.973 40 0 FHABRN Cc1ccccc1COc1ccc(CO)cc1I ZINC000216810501 571146987 /nfs/dbraw/zinc/14/69/87/571146987.db2.gz FILLVVLRHYAOLB-UHFFFAOYSA-N 0 0 354.187 3.671 40 0 FHABRN Cn1cc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)c2ccccc21 ZINC000015674118 560230940 /nfs/dbraw/zinc/23/09/40/560230940.db2.gz GHVRBDMDAKFHDQ-XLIONFOSSA-N 0 0 374.444 3.536 40 0 biogenic,in-vitro FHABRN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000000628050 567881584 /nfs/dbraw/zinc/88/15/84/567881584.db2.gz DEFXZRYMUWZJFX-NRFANRHFSA-N 0 0 365.454 3.898 40 0 FHABRN COC(=O)c1ccc(OC)c(OCc2ccc(Br)cc2)c1 ZINC000216861283 568147720 /nfs/dbraw/zinc/14/77/20/568147720.db2.gz GZKLLZYVBYCFOA-UHFFFAOYSA-N 0 0 351.196 3.823 40 0 FHABRN O=C(COc1ccc(Br)cc1)NCCCc1ccc(F)cc1 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CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)COc1ccc(OC)cc1 ZINC000219574274 568289547 /nfs/dbraw/zinc/28/95/47/568289547.db2.gz FBGMIAGKHZYNQK-KDOFPFPSSA-N 0 0 361.413 3.575 40 0 FHABRN CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000056340499 568289743 /nfs/dbraw/zinc/28/97/43/568289743.db2.gz HSYNQDSZDKMSJL-ZRDIBKRKSA-N 0 0 366.417 3.549 40 0 FHABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219594406 568291595 /nfs/dbraw/zinc/29/15/95/568291595.db2.gz HYEOUGFSTXADFF-LJQANCHMSA-N 0 0 371.477 3.919 40 0 FHABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSC(C)(C)C ZINC000219676473 568297897 /nfs/dbraw/zinc/29/78/97/568297897.db2.gz MMSDUATVGKBIIO-LLVKDONJSA-N 0 0 360.317 3.864 40 0 FHABRN Cc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1C ZINC000409125311 568345557 /nfs/dbraw/zinc/34/55/57/568345557.db2.gz JRPWLVPNLXOYRE-YVLHZVERSA-N 0 0 354.431 3.561 40 0 FHABRN Cc1c(C(=O)Nc2ccccc2C(C)C)cccc1N(C)S(C)(=O)=O ZINC000222432989 568526950 /nfs/dbraw/zinc/52/69/50/568526950.db2.gz TTXVXHOMSKIDOJ-UHFFFAOYSA-N 0 0 360.479 3.767 40 0 FHABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000222526946 568536065 /nfs/dbraw/zinc/53/60/65/568536065.db2.gz ZDTGXRAFMPAQRB-INIZCTEOSA-N 0 0 372.896 3.663 40 0 FHABRN COc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1OC ZINC000222575345 568541325 /nfs/dbraw/zinc/54/13/25/568541325.db2.gz WSQPAEVDIUXOLO-JCURWCKSSA-N 0 0 355.463 3.688 40 0 FHABRN CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1O ZINC000222576493 568541528 /nfs/dbraw/zinc/54/15/28/568541528.db2.gz OIWNYCZLOPZXEH-JBBXEZCESA-N 0 0 355.463 3.775 40 0 FHABRN COc1cc2c(cc1S(=O)(=O)N[C@@H]1CCCc3ccccc31)CCCC2 ZINC000222593310 568543374 /nfs/dbraw/zinc/54/33/74/568543374.db2.gz WTITWFIGWJIXMK-LJQANCHMSA-N 0 0 371.502 3.930 40 0 FHABRN COC(=O)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12 ZINC000222596586 568543604 /nfs/dbraw/zinc/54/36/04/568543604.db2.gz VISUBVBEPXECNG-UHFFFAOYSA-N 0 0 365.410 3.818 40 0 FHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 ZINC000222621184 568546447 /nfs/dbraw/zinc/54/64/47/568546447.db2.gz AFALMBGNFWPPQL-IBGZPJMESA-N 0 0 367.401 3.934 40 0 FHABRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000222710767 568556183 /nfs/dbraw/zinc/55/61/83/568556183.db2.gz LTLWUIVSIQRBNV-QAPCUYQASA-N 0 0 355.434 3.801 40 0 FHABRN Cc1cccc(-c2noc(CNC(=O)CSCc3ccccc3F)n2)c1 ZINC000222712693 568556349 /nfs/dbraw/zinc/55/63/49/568556349.db2.gz FBHKZKGSLHPRPA-UHFFFAOYSA-N 0 0 371.437 3.734 40 0 FHABRN Cc1cccc(CSCC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000222736244 568558072 /nfs/dbraw/zinc/55/80/72/568558072.db2.gz ROAKVYAUCRUAAN-UHFFFAOYSA-N 0 0 354.519 3.573 40 0 FHABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222755471 568559936 /nfs/dbraw/zinc/55/99/36/568559936.db2.gz DHNYJTRPCXTOCC-IRXDYDNUSA-N 0 0 369.881 3.523 40 0 FHABRN CCOc1ccc(CNC(=O)COc2cccc(Cl)c2)cc1OCC ZINC000222767411 568560856 /nfs/dbraw/zinc/56/08/56/568560856.db2.gz ITCDSNVWRXXIMD-UHFFFAOYSA-N 0 0 363.841 3.833 40 0 FHABRN COc1cccc(OCC(=O)NCCSCc2ccccc2Cl)c1 ZINC000222787168 568562945 /nfs/dbraw/zinc/56/29/45/568562945.db2.gz RVGLRNGOTCJTMC-UHFFFAOYSA-N 0 0 365.882 3.777 40 0 FHABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000222821654 568567466 /nfs/dbraw/zinc/56/74/66/568567466.db2.gz GVLNHZKUMJIEMG-OAHLLOKOSA-N 0 0 358.869 3.702 40 0 FHABRN CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000222823265 568567695 /nfs/dbraw/zinc/56/76/95/568567695.db2.gz ZMAUILMZEFYHJZ-RTBURBONSA-N 0 0 366.490 3.905 40 0 FHABRN COc1ccc(Cl)cc1S(=O)(=O)NCCCc1ccc(Cl)cc1 ZINC000222856367 568572769 /nfs/dbraw/zinc/57/27/69/568572769.db2.gz SOKVIEBLICWYHS-UHFFFAOYSA-N 0 0 374.289 3.913 40 0 FHABRN COc1ccc(C(=O)NCCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000222884733 568575851 /nfs/dbraw/zinc/57/58/51/568575851.db2.gz ZTKGSFXLZVVSOW-UHFFFAOYSA-N 0 0 363.841 3.728 40 0 FHABRN CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3cccs3)no2)cc1 ZINC000222901901 568577246 /nfs/dbraw/zinc/57/72/46/568577246.db2.gz OMFUTCLJHAIUGD-OAHLLOKOSA-N 0 0 371.462 3.834 40 0 FHABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2cccs2)no1 ZINC000222973991 568584219 /nfs/dbraw/zinc/58/42/19/568584219.db2.gz WZMBNSFMNLPKPC-CQSZACIVSA-N 0 0 371.462 3.889 40 0 FHABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl ZINC000223011769 568591286 /nfs/dbraw/zinc/59/12/86/568591286.db2.gz FOHOTXQGQIMAHV-LJQANCHMSA-N 0 0 372.896 3.744 40 0 FHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223057417 568603171 /nfs/dbraw/zinc/60/31/71/568603171.db2.gz PENCTDRZVLKKRR-NRFANRHFSA-N 0 0 366.505 3.809 40 0 FHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223105832 568611583 /nfs/dbraw/zinc/61/15/83/568611583.db2.gz HDHJIHPSOMFHFX-NRFANRHFSA-N 0 0 366.505 3.708 40 0 FHABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000223255044 568630753 /nfs/dbraw/zinc/63/07/53/568630753.db2.gz VPFMMWNICOVTRB-LBPRGKRZSA-N 0 0 365.882 3.877 40 0 FHABRN CC(C)(C)c1ccc(OCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000223380371 568648157 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ZINC000223621850 568682308 /nfs/dbraw/zinc/68/23/08/568682308.db2.gz UJLOVAOVCYHCMI-MRXNPFEDSA-N 0 0 365.429 3.811 40 0 FHABRN COc1ccccc1O[C@H](C)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223626608 568683566 /nfs/dbraw/zinc/68/35/66/568683566.db2.gz WQVIIIJJVOGXLJ-MRXNPFEDSA-N 0 0 365.429 3.811 40 0 FHABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223669465 568695589 /nfs/dbraw/zinc/69/55/89/568695589.db2.gz XTAGFRNVRXSVBE-IBGZPJMESA-N 0 0 366.505 3.708 40 0 FHABRN COc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(C)C)c1 ZINC000223702587 568706121 /nfs/dbraw/zinc/70/61/21/568706121.db2.gz BUJBBTJJKLVIOC-UHFFFAOYSA-N 0 0 363.479 3.648 40 0 FHABRN CCc1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1OC ZINC000223750785 568719760 /nfs/dbraw/zinc/71/97/60/568719760.db2.gz CQGDDGVDKLHUSJ-UHFFFAOYSA-N 0 0 353.871 3.732 40 0 FHABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C ZINC000026843947 568725565 /nfs/dbraw/zinc/72/55/65/568725565.db2.gz SIMFRCTUMYMKGZ-UHFFFAOYSA-N 0 0 356.241 3.567 40 0 FHABRN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1C ZINC000223797606 568731989 /nfs/dbraw/zinc/73/19/89/568731989.db2.gz VGIYDCMUOKPVQG-UHFFFAOYSA-N 0 0 374.245 3.889 40 0 FHABRN CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2)nc(NC#N)n1 ZINC000000644805 570443493 /nfs/dbraw/zinc/44/34/93/570443493.db2.gz FITGPYZTDNWNIH-UHFFFAOYSA-N 0 0 357.845 3.892 40 0 FHABRN C=CC(=O)Nc1cc(OCC)c(NC(=O)c2cccs2)cc1OCC ZINC000000881406 570462423 /nfs/dbraw/zinc/46/24/23/570462423.db2.gz DNWUKJFIGVJMNM-UHFFFAOYSA-N 0 0 360.435 3.922 40 0 FHABRN Cc1cc2c(C)ccc(C)c2n2c(SCC(=O)N3CCCCC3)nnc12 ZINC000000929679 570463945 /nfs/dbraw/zinc/46/39/45/570463945.db2.gz RNEACCNYQABIFU-UHFFFAOYSA-N 0 0 368.506 3.912 40 0 FHABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000000991144 570468612 /nfs/dbraw/zinc/46/86/12/570468612.db2.gz CGRJPXJMQFFHAY-UHFFFAOYSA-N 0 0 372.490 3.730 40 0 FHABRN COc1ccccc1C[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585288853 570494981 /nfs/dbraw/zinc/49/49/81/570494981.db2.gz KFVHRCIIVHTWIM-DFQSSKMNSA-N 0 0 361.869 3.799 40 0 FHABRN O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000585288831 570495024 /nfs/dbraw/zinc/49/50/24/570495024.db2.gz AVVIDQRVCQXTTG-YQVWRLOYSA-N 0 0 351.368 3.555 40 0 FHABRN CO[C@H]1CN(C(=O)/C=C/c2csc(C)n2)CC[C@@H]1Cc1ccccc1 ZINC000585290273 570495823 /nfs/dbraw/zinc/49/58/23/570495823.db2.gz PVTWPAVYLXEIEJ-DLBUCANVSA-N 0 0 356.491 3.571 40 0 FHABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1C(N)=O ZINC000001265967 570496543 /nfs/dbraw/zinc/49/65/43/570496543.db2.gz BAVBHMJPQHIWEV-VOTSOKGWSA-N 0 0 365.216 3.753 40 0 FHABRN CC(C)c1nc2ccccc2c2nnc(SCC(=O)N3CCCCC3)n21 ZINC000001327734 570497269 /nfs/dbraw/zinc/49/72/69/570497269.db2.gz HKSBANKHNPGPGO-UHFFFAOYSA-N 0 0 369.494 3.506 40 0 FHABRN Cc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCc2ccc(F)cc2)cc1 ZINC000001381039 570498179 /nfs/dbraw/zinc/49/81/79/570498179.db2.gz RKLDRFSALMUNTR-IBGZPJMESA-N 0 0 367.376 3.942 40 0 FHABRN CC(=O)NC[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000001574154 570502134 /nfs/dbraw/zinc/50/21/34/570502134.db2.gz OONPIGWLFRYZLN-CGMLFGJQSA-N 0 0 371.906 3.974 40 0 FHABRN CCOC(=O)COc1cc2c(cc1[C@H](CC)c1ccc(OC)cc1)OCO2 ZINC000001582413 570502250 /nfs/dbraw/zinc/50/22/50/570502250.db2.gz RVMFYVRFITYLTQ-MRXNPFEDSA-N 0 0 372.417 3.908 40 0 FHABRN Cc1cccc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N2CCCCC2)c1 ZINC000408526520 570507796 /nfs/dbraw/zinc/50/77/96/570507796.db2.gz CIRNEWNAICLKQF-UHFFFAOYSA-N 0 0 350.422 3.820 40 0 FHABRN COc1ccc(-c2nnc(SCc3ccc(C)c(C)c3)n2N)cc1OC ZINC000002447970 570521492 /nfs/dbraw/zinc/52/14/92/570521492.db2.gz SLMZXVDTINGHBT-UHFFFAOYSA-N 0 0 370.478 3.585 40 0 FHABRN O=C(NCCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000042645901 570521960 /nfs/dbraw/zinc/52/19/60/570521960.db2.gz DFBRJMXJVWUPEJ-UHFFFAOYSA-N 0 0 351.233 3.681 40 0 FHABRN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000042646666 570522006 /nfs/dbraw/zinc/52/20/06/570522006.db2.gz QAEITBVBVORUPD-RNCFNFMXSA-N 0 0 362.779 3.992 40 0 FHABRN 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354.435 3.532 40 0 FHABRN CCCSc1nnc(NC(=O)c2ccc(Cn3ccnc3C)cc2)s1 ZINC000225301021 571026999 /nfs/dbraw/zinc/02/69/99/571026999.db2.gz AOIBATAWJITSES-UHFFFAOYSA-N 0 0 373.507 3.846 40 0 FHABRN Cc1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3)n2)cc1 ZINC000225311797 571027733 /nfs/dbraw/zinc/02/77/33/571027733.db2.gz WMOVUXKGFXUZSV-UHFFFAOYSA-N 0 0 355.825 3.947 40 0 FHABRN COc1cccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1 ZINC000225456399 571036964 /nfs/dbraw/zinc/03/69/64/571036964.db2.gz FVOKLJBJHNDTKL-UHFFFAOYSA-N 0 0 352.463 3.676 40 0 FHABRN COc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1 ZINC000225456444 571037083 /nfs/dbraw/zinc/03/70/83/571037083.db2.gz JEPNAYYYSYIBCR-UHFFFAOYSA-N 0 0 352.463 3.676 40 0 FHABRN Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225467458 571037734 /nfs/dbraw/zinc/03/77/34/571037734.db2.gz UIXIJEPQXNCKOS-IBGZPJMESA-N 0 0 366.505 3.870 40 0 FHABRN Cc1ccccc1CN(C(=O)Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C ZINC000225496351 571040129 /nfs/dbraw/zinc/04/01/29/571040129.db2.gz 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CCOc1ccc(-c2noc(CNC(=O)c3cc(C)c(C)cc3C)n2)cc1 ZINC000225653139 571052978 /nfs/dbraw/zinc/05/29/78/571052978.db2.gz AYZHHJILCPWXPN-UHFFFAOYSA-N 0 0 365.433 3.991 40 0 FHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000225719063 571058798 /nfs/dbraw/zinc/05/87/98/571058798.db2.gz HXIDATGRJDYCNQ-HXUWFJFHSA-N 0 0 370.468 3.700 40 0 FHABRN CSc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1NC(C)=O ZINC000225721167 571059162 /nfs/dbraw/zinc/05/91/62/571059162.db2.gz SEWWXWZJKKWBTQ-UHFFFAOYSA-N 0 0 368.524 3.536 40 0 FHABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(C)=O ZINC000225728650 571060020 /nfs/dbraw/zinc/06/00/20/571060020.db2.gz MQEYUCRNAUVSFL-UHFFFAOYSA-N 0 0 364.492 3.785 40 0 FHABRN CC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(OC)c(C)c1 ZINC000225778073 571064900 /nfs/dbraw/zinc/06/49/00/571064900.db2.gz FJXRBMWHQYOJEV-KRWDZBQOSA-N 0 0 355.434 3.932 40 0 FHABRN CC[C@H]1CCc2c(sc3ncn4nc(CCn5ccc(C)n5)nc4c23)C1 ZINC000002803880 571065923 /nfs/dbraw/zinc/06/59/23/571065923.db2.gz 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571075954 /nfs/dbraw/zinc/07/59/54/571075954.db2.gz QELDUXZPMBFZCF-CYBMUJFWSA-N 0 0 363.454 3.753 40 0 FHABRN CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 ZINC000225879935 571077263 /nfs/dbraw/zinc/07/72/63/571077263.db2.gz CCJDUZYNHQBVHE-UHFFFAOYSA-N 0 0 357.483 3.566 40 0 FHABRN COc1ccc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2c1 ZINC000225881449 571077280 /nfs/dbraw/zinc/07/72/80/571077280.db2.gz BVCGZFDKUDREBK-UHFFFAOYSA-N 0 0 353.443 3.595 40 0 FHABRN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1C ZINC000225886939 571077561 /nfs/dbraw/zinc/07/75/61/571077561.db2.gz FDPPJSNKEUKBPK-LJQANCHMSA-N 0 0 352.475 3.729 40 0 FHABRN CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cn1 ZINC000225921719 571080283 /nfs/dbraw/zinc/08/02/83/571080283.db2.gz MBIDDXQLPICZHN-UHFFFAOYSA-N 0 0 362.451 3.621 40 0 FHABRN CCOc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)c2ccccc12 ZINC000225925682 571080299 /nfs/dbraw/zinc/08/02/99/571080299.db2.gz OQHPLZKNQZAOSF-UHFFFAOYSA-N 0 0 366.461 3.826 40 0 FHABRN CC(C)c1nc(Cc2ccc(NC(=O)COc3ccccc3)cc2)no1 ZINC000226092112 571082624 /nfs/dbraw/zinc/08/26/24/571082624.db2.gz LEEBYXGTCXUAHW-UHFFFAOYSA-N 0 0 351.406 3.801 40 0 FHABRN CN(C)S(=O)(=O)c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000059417622 571090446 /nfs/dbraw/zinc/09/04/46/571090446.db2.gz NXJTXSLVPXJGQA-UHFFFAOYSA-N 0 0 364.517 3.839 40 0 FHABRN CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000000860629 571094686 /nfs/dbraw/zinc/09/46/86/571094686.db2.gz WVCHYSXMGRVNSA-WEVVVXLNSA-N 0 0 355.390 3.517 40 0 FHABRN CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000096590507 571098658 /nfs/dbraw/zinc/09/86/58/571098658.db2.gz HSTBNIQZWRFKJK-GOSISDBHSA-N 0 0 366.461 3.853 40 0 FHABRN O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(F)cc1F ZINC000096583616 571098782 /nfs/dbraw/zinc/09/87/82/571098782.db2.gz JFHDWCCGNQKKMP-OVCLIPMQSA-N 0 0 374.368 3.640 40 0 FHABRN COc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NC(C)C)n1 ZINC000328955194 571104681 /nfs/dbraw/zinc/10/46/81/571104681.db2.gz AANCSIJWAGLWLO-UHFFFAOYSA-N 0 0 369.856 3.608 40 0 FHABRN C[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000328960557 571105014 /nfs/dbraw/zinc/10/50/14/571105014.db2.gz AZCALFDKUPFRJP-ZDUSSCGKSA-N 0 0 354.841 3.755 40 0 FHABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000044948789 571105580 /nfs/dbraw/zinc/10/55/80/571105580.db2.gz IYWBKGPAGBCXPZ-SFHVURJKSA-N 0 0 370.468 3.867 40 0 FHABRN Fc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)cc1F ZINC000328972113 571105674 /nfs/dbraw/zinc/10/56/74/571105674.db2.gz DTBRAVVMNNAVTN-UHFFFAOYSA-N 0 0 367.403 3.759 40 0 FHABRN c1ccc(CNc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1 ZINC000328980791 571105990 /nfs/dbraw/zinc/10/59/90/571105990.db2.gz GPIPVKKSNFIIIX-UHFFFAOYSA-N 0 0 359.477 3.739 40 0 FHABRN Cc1nc2cc(Nc3cc(C(F)(F)F)nc(NC(C)C)n3)ccc2s1 ZINC000328978337 571106024 /nfs/dbraw/zinc/10/60/24/571106024.db2.gz FXULBOLYQBYAJY-UHFFFAOYSA-N 0 0 367.400 3.821 40 0 FHABRN Fc1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1F ZINC000329004404 571106922 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COc1ccccc1NC(=O)CSCC(=O)Nc1ccc(Cl)cc1 ZINC000015352822 570862464 /nfs/dbraw/zinc/86/24/64/570862464.db2.gz HARJNUBSLGBHBF-UHFFFAOYSA-N 0 0 364.854 3.659 40 0 FHABRN COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000015935404 570864630 /nfs/dbraw/zinc/86/46/30/570864630.db2.gz CDTCMDBINOUIJU-IBGZPJMESA-N 0 0 367.449 3.947 40 0 FHABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1c(C)cccc1C ZINC000015992544 570864684 /nfs/dbraw/zinc/86/46/84/570864684.db2.gz RSLYWHGMKAFSJR-UHFFFAOYSA-N 0 0 372.490 3.649 40 0 FHABRN FC(F)(F)c1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 ZINC000016237515 570866355 /nfs/dbraw/zinc/86/63/55/570866355.db2.gz JQTBRTZMQJQUSB-UHFFFAOYSA-N 0 0 354.353 3.921 40 0 FHABRN O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000058102376 570868766 /nfs/dbraw/zinc/86/87/66/570868766.db2.gz UODUKQWPSLJAGV-UHFFFAOYSA-N 0 0 352.434 3.720 40 0 FHABRN CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000017074210 570869628 /nfs/dbraw/zinc/86/96/28/570869628.db2.gz IHGAPDNNQBQGMK-NSHDSACASA-N 0 0 360.401 3.677 40 0 FHABRN Cc1c(C)c2c(cc1Br)C(=O)[C@H](N1CCCC[C@H]1C)CO2 ZINC000019205187 570872410 /nfs/dbraw/zinc/87/24/10/570872410.db2.gz MJIALHBFRVZOGC-MEBBXXQBSA-N 0 0 352.272 3.884 40 0 FHABRN C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(F)cc1 ZINC000017916191 570874239 /nfs/dbraw/zinc/87/42/39/570874239.db2.gz DZAJMZIBHGHKSX-JTQLQIEISA-N 0 0 369.177 3.921 40 0 FHABRN O[C@@](c1ccccc1)(C(F)(F)F)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000018062718 570874803 /nfs/dbraw/zinc/87/48/03/570874803.db2.gz AJBYSHYIHCXTJQ-OKILXGFUSA-N 0 0 350.258 3.887 40 0 FHABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000018702752 570878772 /nfs/dbraw/zinc/87/87/72/570878772.db2.gz OYJVXNLETKMKPC-UHFFFAOYSA-N 0 0 364.430 3.584 40 0 FHABRN COc1ccc(/C=C2\N=C(c3ccccc3)N(c3nccs3)C2=O)cc1 ZINC000001099749 570878947 /nfs/dbraw/zinc/87/89/47/570878947.db2.gz GYGWFMYZVWRKSS-LGMDPLHJSA-N 0 0 361.426 3.986 40 0 FHABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)c1 ZINC000019078612 570879851 /nfs/dbraw/zinc/87/98/51/570879851.db2.gz STLWLEFDEUNCDD-RDTXWAMCSA-N 0 0 373.424 3.974 40 0 FHABRN Cc1cc(-c2cn[nH]c2[C@@H]2CCCCN2C(=O)Cc2ccccc2F)on1 ZINC000019120867 570880240 /nfs/dbraw/zinc/88/02/40/570880240.db2.gz HXDKCZWBQYWDSG-KRWDZBQOSA-N 0 0 368.412 3.809 40 0 FHABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C3CCCC3)cc2)on1 ZINC000019124263 570881017 /nfs/dbraw/zinc/88/10/17/570881017.db2.gz WNJKDVUMZMMIME-UHFFFAOYSA-N 0 0 362.433 3.913 40 0 FHABRN Cc1ccc2nc(C(=O)N3CCC[C@H](COc4ccccc4C)C3)cn2c1 ZINC000019234344 570883084 /nfs/dbraw/zinc/88/30/84/570883084.db2.gz SHRMKVXKJWADAK-SFHVURJKSA-N 0 0 363.461 3.882 40 0 FHABRN Cc1cnc2cc(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)[nH]c2n1 ZINC000019239372 570883489 /nfs/dbraw/zinc/88/34/89/570883489.db2.gz QZGBVOYDCHRORB-UHFFFAOYSA-N 0 0 356.376 3.564 40 0 FHABRN Cc1ccnn1[C@@H](C)C(=O)N[C@H](Cc1ccsc1)c1nc(C)c(C)s1 ZINC000019238314 570883712 /nfs/dbraw/zinc/88/37/12/570883712.db2.gz VXGJKOACVBDQSO-XJKSGUPXSA-N 0 0 374.535 3.988 40 0 FHABRN Cc1csc2c([C@@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)nc(C)n12 ZINC000019240513 570884153 /nfs/dbraw/zinc/88/41/53/570884153.db2.gz BVSRNEARQJHAAX-CYBMUJFWSA-N 0 0 356.451 3.508 40 0 FHABRN Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@H](C)n2ccnc2)n1 ZINC000019240149 570884164 /nfs/dbraw/zinc/88/41/64/570884164.db2.gz LDHCAHWORXONSH-ZFWWWQNUSA-N 0 0 360.508 3.761 40 0 FHABRN Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1cccc(OC(C)C)c1 ZINC000019286619 570884366 /nfs/dbraw/zinc/88/43/66/570884366.db2.gz CDEBDJAIYMFJDY-UHFFFAOYSA-N 0 0 365.433 3.521 40 0 FHABRN Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 ZINC000019290081 570884601 /nfs/dbraw/zinc/88/46/01/570884601.db2.gz NHUWTWZQPGAEBV-IBGZPJMESA-N 0 0 364.424 3.989 40 0 FHABRN Cn1nc2c(c1C(=O)Nc1ccc(N3CCCCC3)c(F)c1)CCCC2 ZINC000019288672 570884803 /nfs/dbraw/zinc/88/48/03/570884803.db2.gz LEKULODYKZAALV-UHFFFAOYSA-N 0 0 356.445 3.681 40 0 FHABRN Cn1ccnc1-c1nc(N2CCSCC2)ncc1-c1ccc(Cl)cc1 ZINC000019291602 570884813 /nfs/dbraw/zinc/88/48/13/570884813.db2.gz RPXLDHMTOVVLHD-UHFFFAOYSA-N 0 0 371.897 3.751 40 0 FHABRN O=C(c1ccnc(N2CCCC2)c1)N1CCC(Oc2ccccc2F)CC1 ZINC000019350142 570886869 /nfs/dbraw/zinc/88/68/69/570886869.db2.gz WKPRKAATGVJWPJ-UHFFFAOYSA-N 0 0 369.440 3.505 40 0 FHABRN O=C(c1ccccc1)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 ZINC000019368791 570888070 /nfs/dbraw/zinc/88/80/70/570888070.db2.gz SHRQHTLILUZOTN-KRWDZBQOSA-N 0 0 365.458 3.866 40 0 FHABRN O=C(Cc1ccsc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000019406427 570888561 /nfs/dbraw/zinc/88/85/61/570888561.db2.gz AVMZNVXYHLSDNA-UHFFFAOYSA-N 0 0 359.476 3.808 40 0 FHABRN CC(C)[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 ZINC000019445765 570888801 /nfs/dbraw/zinc/88/88/01/570888801.db2.gz UIGWOWDTDHGPID-IBGZPJMESA-N 0 0 368.412 3.717 40 0 FHABRN CC(C)Cc1cc(C(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)[nH]c(=O)n1 ZINC000019447477 570889275 /nfs/dbraw/zinc/88/92/75/570889275.db2.gz NUGFYMQVCQQWTL-NSHDSACASA-N 0 0 373.840 3.859 40 0 FHABRN CCCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 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Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCn2ccnc2)sc1C ZINC000019559761 570893179 /nfs/dbraw/zinc/89/31/79/570893179.db2.gz BVJFSVBMRDNCSW-OAHLLOKOSA-N 0 0 360.508 3.508 40 0 FHABRN COC1CCC(C(=O)N2[C@@H](COc3ccc(F)cc3)[C@@H]3CC[C@H]2C3)CC1 ZINC000019592559 570895833 /nfs/dbraw/zinc/89/58/33/570895833.db2.gz POGHJNLVWXXZDE-RARIUJFKSA-N 0 0 361.457 3.789 40 0 FHABRN CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NCCCOc3ccccc3F)c2C1 ZINC000019661510 570897251 /nfs/dbraw/zinc/89/72/51/570897251.db2.gz YHJDXLWOMVLJFG-CQSZACIVSA-N 0 0 373.472 3.899 40 0 FHABRN CN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000019659484 570897320 /nfs/dbraw/zinc/89/73/20/570897320.db2.gz AUUMUWOKXUBOIB-UHFFFAOYSA-N 0 0 358.344 3.771 40 0 FHABRN Cc1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)cccc1C(=O)N1CCCC1 ZINC000019661378 570897407 /nfs/dbraw/zinc/89/74/07/570897407.db2.gz HWTNQDRPFBAQHP-HNNXBMFYSA-N 0 0 370.424 3.776 40 0 FHABRN Cc1ccc(-c2cc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)no2)cc1 ZINC000019665384 570897863 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219319287 /nfs/dbraw/zinc/31/92/87/219319287.db2.gz NTQVQKSLKVNQJA-UHFFFAOYSA-N 0 0 366.826 3.707 40 0 FHABRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(C)=O ZINC000000868963 219332844 /nfs/dbraw/zinc/33/28/44/219332844.db2.gz BPBHEJOGYMFJPV-UHFFFAOYSA-N 0 0 360.435 3.671 40 0 FHABRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccncc3)C(=O)[C@H]12 ZINC000000840481 219328538 /nfs/dbraw/zinc/32/85/38/219328538.db2.gz ZAVGHHQBUCUPQN-ISQHLFTMSA-N 0 0 366.420 3.652 40 0 FHABRN Cc1ccc(NCN2C(=O)c3ccc(Br)cc3C2=O)cc1C ZINC000000832250 219329125 /nfs/dbraw/zinc/32/91/25/219329125.db2.gz VFSZJVXGQQDBKD-UHFFFAOYSA-N 0 0 359.223 3.732 40 0 FHABRN CCOc1cc(-c2nc3ccccn3c2NC[C@@H]2CCCO2)ccc1O ZINC000000883909 219336310 /nfs/dbraw/zinc/33/63/10/219336310.db2.gz ZSHGMEGYMWGPKO-HNNXBMFYSA-N 0 0 353.422 3.697 40 0 FHABRN CCc1cccc(CC)c1NC(=O)CSc1nncn1-c1cccnc1 ZINC000000890105 219337168 /nfs/dbraw/zinc/33/71/68/219337168.db2.gz ZQZINGSVCUIYCC-UHFFFAOYSA-N 0 0 367.478 3.518 40 0 FHABRN CCOC(=O)C(C)(C)Sc1nnc(COc2ccc(C)cc2)n1CC ZINC000000908386 219338570 /nfs/dbraw/zinc/33/85/70/219338570.db2.gz VNJNTZRWDZCVGR-UHFFFAOYSA-N 0 0 363.483 3.619 40 0 FHABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)N3CCCC3)nnc12 ZINC000000903160 219338863 /nfs/dbraw/zinc/33/88/63/219338863.db2.gz MCMJVKATKGNPIH-UHFFFAOYSA-N 0 0 354.479 3.522 40 0 FHABRN CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccc(O)cc1 ZINC000000907368 219339337 /nfs/dbraw/zinc/33/93/37/219339337.db2.gz YDEHNOOMGGHWHB-CYBMUJFWSA-N 0 0 368.462 3.790 40 0 FHABRN Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NCc3ccco3)n12 ZINC000000877117 219335530 /nfs/dbraw/zinc/33/55/30/219335530.db2.gz ZFAISPAJZDWKJK-UHFFFAOYSA-N 0 0 366.446 3.501 40 0 FHABRN CCc1cccc(CC)c1NC(=O)CSc1nncn1-c1ccccn1 ZINC000000933979 219342065 /nfs/dbraw/zinc/34/20/65/219342065.db2.gz SIVXQLJLTHOITP-UHFFFAOYSA-N 0 0 367.478 3.518 40 0 FHABRN C[C@H]1CCc2c(sc(NC(=O)c3cccc(F)c3F)c2C(N)=O)C1 ZINC000000998766 219351994 /nfs/dbraw/zinc/35/19/94/219351994.db2.gz DIBOYMQKLUVMSU-QMMMGPOBSA-N 0 0 350.390 3.502 40 0 FHABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 ZINC000223471122 222781391 /nfs/dbraw/zinc/78/13/91/222781391.db2.gz JGVDOPYAXMTCNZ-FQEVSTJZSA-N 0 0 356.441 3.688 40 0 FHABRN CCOC(=O)c1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000001082956 219366147 /nfs/dbraw/zinc/36/61/47/219366147.db2.gz HESJETAIDCDLNR-UHFFFAOYSA-N 0 0 354.431 3.707 40 0 FHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000223592876 222786248 /nfs/dbraw/zinc/78/62/48/222786248.db2.gz ASEZWKLFLKIYFV-LJQANCHMSA-N 0 0 366.505 3.708 40 0 FHABRN CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 ZINC000223678044 222789743 /nfs/dbraw/zinc/78/97/43/222789743.db2.gz NUWJZYZLBNQTCJ-UHFFFAOYSA-N 0 0 353.418 3.760 40 0 FHABRN CC1(C)CCc2cc(S(=O)(=O)NCc3cccc(Cl)c3)ccc2O1 ZINC000223744093 222792378 /nfs/dbraw/zinc/79/23/78/222792378.db2.gz RHRNWPVZGWKADD-UHFFFAOYSA-N 0 0 365.882 3.922 40 0 FHABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccccc1 ZINC000224053241 222804499 /nfs/dbraw/zinc/80/44/99/222804499.db2.gz ZSWYFAHYCNXLLP-MRXNPFEDSA-N 0 0 370.468 3.700 40 0 FHABRN Cc1cc(C)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)c1 ZINC000224012206 222802723 /nfs/dbraw/zinc/80/27/23/222802723.db2.gz YEGSYYBVRCWLKD-UHFFFAOYSA-N 0 0 355.507 3.733 40 0 FHABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1 ZINC000224179584 222809130 /nfs/dbraw/zinc/80/91/30/222809130.db2.gz VUOZPIABAUJWQF-FQEVSTJZSA-N 0 0 370.468 3.620 40 0 FHABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(F)cc1 ZINC000224446337 222813558 /nfs/dbraw/zinc/81/35/58/222813558.db2.gz BOYJUAFEVVQIBY-QGZVFWFLSA-N 0 0 351.805 3.832 40 0 FHABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000224426066 222813792 /nfs/dbraw/zinc/81/37/92/222813792.db2.gz AXEAHHAMSGFWEM-FQEVSTJZSA-N 0 0 364.445 3.629 40 0 FHABRN CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000224596781 222815640 /nfs/dbraw/zinc/81/56/40/222815640.db2.gz NDEFYJFUNQQJRM-OAQYLSRUSA-N 0 0 366.505 3.605 40 0 FHABRN CCOc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000224601264 222816231 /nfs/dbraw/zinc/81/62/31/222816231.db2.gz ZFWUVHVIADGFLD-UHFFFAOYSA-N 0 0 359.369 3.929 40 0 FHABRN CCOc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1 ZINC000224582540 222816465 /nfs/dbraw/zinc/81/64/65/222816465.db2.gz VXNLNANVFTXEEE-UHFFFAOYSA-N 0 0 370.268 3.673 40 0 FHABRN Cc1cc(OCC(=O)NCCSC2CCCC2)ccc1Br ZINC000224640514 222817649 /nfs/dbraw/zinc/81/76/49/222817649.db2.gz KOMIJJOSKIJYDL-UHFFFAOYSA-N 0 0 372.328 3.928 40 0 FHABRN COc1cc(NC(=O)C(C)C)c(OC)cc1NC(=O)c1cccc(F)c1 ZINC000001324325 219395403 /nfs/dbraw/zinc/39/54/03/219395403.db2.gz OMIKJDQHRWMPPB-UHFFFAOYSA-N 0 0 360.385 3.690 40 0 FHABRN O=C(CSc1nnc(-c2ccco2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000001364286 219398911 /nfs/dbraw/zinc/39/89/11/219398911.db2.gz DEIPUPZNHLLSKH-OAHLLOKOSA-N 0 0 369.446 3.692 40 0 FHABRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000224698137 222818027 /nfs/dbraw/zinc/81/80/27/222818027.db2.gz VYYLXAAVHKPYBH-UHFFFAOYSA-N 0 0 367.854 3.650 40 0 FHABRN COc1ccc(NC(=O)NC2(C(=O)N3CCCCC3)CCCCC2)cc1 ZINC000001344865 219396715 /nfs/dbraw/zinc/39/67/15/219396715.db2.gz FLBHVXYMPXFHTP-UHFFFAOYSA-N 0 0 359.470 3.532 40 0 FHABRN CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)OC(C)C ZINC000001353704 219397933 /nfs/dbraw/zinc/39/79/33/219397933.db2.gz RAWRZYVDXKDJRP-UHFFFAOYSA-N 0 0 372.396 3.699 40 0 FHABRN CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000224678655 222817831 /nfs/dbraw/zinc/81/78/31/222817831.db2.gz MNGBGOVRJZWIGW-UHFFFAOYSA-N 0 0 367.854 3.732 40 0 FHABRN COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000001379758 219401290 /nfs/dbraw/zinc/40/12/90/219401290.db2.gz XDPZJUUOWXUXHA-QGZVFWFLSA-N 0 0 367.449 3.947 40 0 FHABRN CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224697781 222818200 /nfs/dbraw/zinc/81/82/00/222818200.db2.gz WBJTUJPGVVBHOX-UHFFFAOYSA-N 0 0 367.854 3.650 40 0 FHABRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000224696813 222818229 /nfs/dbraw/zinc/81/82/29/222818229.db2.gz PGQKFDPKLQUAPH-UHFFFAOYSA-N 0 0 361.463 3.695 40 0 FHABRN CCOc1ccccc1N(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000224726369 222819285 /nfs/dbraw/zinc/81/92/85/222819285.db2.gz UHIPKMDWPVZYQC-UHFFFAOYSA-N 0 0 370.268 3.673 40 0 FHABRN COc1cccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCO4)o2)c1 ZINC000224847365 222821050 /nfs/dbraw/zinc/82/10/50/222821050.db2.gz IITNMUFVPOVQLY-UHFFFAOYSA-N 0 0 366.373 3.650 40 0 FHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000224813210 222821342 /nfs/dbraw/zinc/82/13/42/222821342.db2.gz FTVOQSSQBPDURR-MRXNPFEDSA-N 0 0 372.896 3.826 40 0 FHABRN CCOc1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1OCC ZINC000225064035 222826231 /nfs/dbraw/zinc/82/62/31/222826231.db2.gz OFYBHJJPAPRHHD-OAHLLOKOSA-N 0 0 373.449 3.690 40 0 FHABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 ZINC000225048321 222826420 /nfs/dbraw/zinc/82/64/20/222826420.db2.gz XZTBDSHYIJRSMB-CYBMUJFWSA-N 0 0 356.447 3.623 40 0 FHABRN COc1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OC ZINC000225160287 222829756 /nfs/dbraw/zinc/82/97/56/222829756.db2.gz YOTSUHDGEKRDBI-OAHLLOKOSA-N 0 0 369.461 3.666 40 0 FHABRN COC(=O)c1cc2cc(NC(=S)NCc3ccncc3)ccc2s1 ZINC000225213233 222831842 /nfs/dbraw/zinc/83/18/42/222831842.db2.gz ZFLVNKYJTFXKCU-UHFFFAOYSA-N 0 0 357.460 3.570 40 0 FHABRN CCOc1cccc(CNC(=S)Nc2cc(C(=O)OC)ccc2C)c1 ZINC000225439298 222840904 /nfs/dbraw/zinc/84/09/04/222840904.db2.gz XLQLXOYSOGYZDU-UHFFFAOYSA-N 0 0 358.463 3.667 40 0 FHABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000225475963 222844173 /nfs/dbraw/zinc/84/41/73/222844173.db2.gz STOVFVFLALYVLY-INIZCTEOSA-N 0 0 372.896 3.824 40 0 FHABRN Cc1cccc(CSCCNS(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000225602528 222854070 /nfs/dbraw/zinc/85/40/70/222854070.db2.gz NIMMXQBHNULLQG-UHFFFAOYSA-N 0 0 353.484 3.654 40 0 FHABRN COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)c(OC)c1 ZINC000225640181 222857428 /nfs/dbraw/zinc/85/74/28/222857428.db2.gz DTDDEBSWRQQBMW-CQSZACIVSA-N 0 0 360.479 3.766 40 0 FHABRN Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccc(Cl)cc3)c2c1 ZINC000225753713 222865615 /nfs/dbraw/zinc/86/56/15/222865615.db2.gz BLSRJSPKFXZMCL-UHFFFAOYSA-N 0 0 354.837 3.588 40 0 FHABRN COc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1OC ZINC000225780269 222868896 /nfs/dbraw/zinc/86/88/96/222868896.db2.gz ATBGNTMJGXUHRY-UHFFFAOYSA-N 0 0 359.382 3.614 40 0 FHABRN COc1ccc2cc(S(=O)(=O)N(C)Cc3ccc(C)cc3)ccc2c1 ZINC000225865028 222876349 /nfs/dbraw/zinc/87/63/49/222876349.db2.gz UZRRRVYISFDFSY-UHFFFAOYSA-N 0 0 355.459 3.978 40 0 FHABRN CCOc1ccc(-c2noc(CNC(=O)c3cc(C)ccc3C)n2)cc1 ZINC000225877187 222877161 /nfs/dbraw/zinc/87/71/61/222877161.db2.gz XWGPZNJVLJGTQI-UHFFFAOYSA-N 0 0 351.406 3.682 40 0 FHABRN Cc1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1C ZINC000225973102 222881610 /nfs/dbraw/zinc/88/16/10/222881610.db2.gz DLJVRPOMXFAOFI-UHFFFAOYSA-N 0 0 366.870 3.605 40 0 FHABRN COc1ccc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c(=O)oc2c1 ZINC000226043600 222881983 /nfs/dbraw/zinc/88/19/83/222881983.db2.gz NVEURMXFTRKGMO-LLVKDONJSA-N 0 0 357.793 3.946 40 0 FHABRN O=C(c1cnco1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257200245 223015900 /nfs/dbraw/zinc/01/59/00/223015900.db2.gz ACOKVNNOHHTPOG-INIZCTEOSA-N 0 0 355.369 3.760 40 0 FHABRN O=C(c1cccs1)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257203098 223017633 /nfs/dbraw/zinc/01/76/33/223017633.db2.gz AORZKFYBOYJZIM-INIZCTEOSA-N 0 0 372.421 3.680 40 0 FHABRN O=C(c1nccc2ccccc21)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1 ZINC000257220860 223025643 /nfs/dbraw/zinc/02/56/43/223025643.db2.gz DMMDGVNUZXJLLK-UXPWSPDFSA-N 0 0 359.429 3.559 40 0 FHABRN O=C(Cc1ccccc1)Nc1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000005000888 219637462 /nfs/dbraw/zinc/63/74/62/219637462.db2.gz NWLGILVMULNSAY-UHFFFAOYSA-N 0 0 352.821 3.731 40 0 FHABRN CSc1nnc(CCNC(=O)[C@H](c2ccccc2)C2CCCCC2)n1C ZINC000005001784 219638113 /nfs/dbraw/zinc/63/81/13/219638113.db2.gz URACWBBRMLTFQA-GOSISDBHSA-N 0 0 372.538 3.560 40 0 FHABRN COc1ccc(-c2nc(SCC(=O)Nc3cc(C)cc(C)c3)n[nH]2)cc1 ZINC000005442351 219680067 /nfs/dbraw/zinc/68/00/67/219680067.db2.gz NMGJEOJOXNFNGN-UHFFFAOYSA-N 0 0 368.462 3.828 40 0 FHABRN Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3coc4cc(C)ccc34)C2)n1 ZINC000257249437 223037253 /nfs/dbraw/zinc/03/72/53/223037253.db2.gz JIICFLGPEBUGCU-MRXNPFEDSA-N 0 0 351.450 3.732 40 0 FHABRN Cc1cnc(Nc2cc([C@@H]3CCCCN3Cc3c[nH]cn3)nc(C)n2)s1 ZINC000257254168 223039153 /nfs/dbraw/zinc/03/91/53/223039153.db2.gz KBZGBVUHAWBFOL-INIZCTEOSA-N 0 0 369.498 3.744 40 0 FHABRN Cc1cc(C(=O)N2CCC[C@H]2c2ccc(-c3c(C)noc3C)cn2)on1 ZINC000257263852 223043025 /nfs/dbraw/zinc/04/30/25/223043025.db2.gz LRTHCOVSYIABBI-INIZCTEOSA-N 0 0 352.394 3.627 40 0 FHABRN Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)s1 ZINC000257271914 223045671 /nfs/dbraw/zinc/04/56/71/223045671.db2.gz NAIJRZGUDLOGGT-PIIMJCKOSA-N 0 0 356.491 3.827 40 0 FHABRN Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cccs3)n2)n1 ZINC000257268208 223044261 /nfs/dbraw/zinc/04/42/61/223044261.db2.gz MKSJEKFNINKLNQ-AWEZNQCLSA-N 0 0 353.451 3.522 40 0 FHABRN Cc1cccc(Nc2cncc(C3CCN(C(=O)c4ccccc4)CC3)n2)n1 ZINC000257280633 223048568 /nfs/dbraw/zinc/04/85/68/223048568.db2.gz OLQRBLVYZGAFTQ-UHFFFAOYSA-N 0 0 373.460 3.943 40 0 FHABRN O=C(C1CCC1)N1CC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257278827 223048672 /nfs/dbraw/zinc/04/86/72/223048672.db2.gz ODVHIBOIUPWLBM-INIZCTEOSA-N 0 0 364.424 3.651 40 0 FHABRN c1n[nH]cc1-c1cccc([C@H]2CN(Cc3cccc4ncccc34)CCO2)n1 ZINC000257290044 223052950 /nfs/dbraw/zinc/05/29/50/223052950.db2.gz QBHWIWXMUZNTDF-JOCHJYFZSA-N 0 0 371.444 3.593 40 0 FHABRN Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000257303655 223057512 /nfs/dbraw/zinc/05/75/12/223057512.db2.gz SICDTAIMPFKZPJ-UHFFFAOYSA-N 0 0 362.433 3.768 40 0 FHABRN Cc1onc(C(C)C)c1C(=O)N1Cc2nccn2C[C@H]1c1ccccc1 ZINC000257316603 223063639 /nfs/dbraw/zinc/06/36/39/223063639.db2.gz VGGOLIKJMCHJPN-INIZCTEOSA-N 0 0 350.422 3.700 40 0 FHABRN Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3nccn3C)cs2)nc1 ZINC000257323031 223066101 /nfs/dbraw/zinc/06/61/01/223066101.db2.gz WIMOQTCJRICSDC-HNNXBMFYSA-N 0 0 354.483 3.661 40 0 FHABRN O=C(c1ccnnc1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257327486 223066586 /nfs/dbraw/zinc/06/65/86/223066586.db2.gz XBNJUAFJGRVWSL-QGZVFWFLSA-N 0 0 368.824 3.686 40 0 FHABRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000008388151 219861475 /nfs/dbraw/zinc/86/14/75/219861475.db2.gz OOLUITWTECHZFW-UHFFFAOYSA-N 0 0 358.445 3.829 40 0 FHABRN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@]2(O)c1ccoc1 ZINC000271773229 223078544 /nfs/dbraw/zinc/07/85/44/223078544.db2.gz AEAPORIZZWBIEX-HIEUDIASSA-N 0 0 374.521 3.986 40 0 FHABRN COc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)c1 ZINC000012471734 220000035 /nfs/dbraw/zinc/00/00/35/220000035.db2.gz OASMZMFZFUKDCS-TXPKVOOTSA-N 0 0 373.497 3.634 40 0 FHABRN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000012471581 220000206 /nfs/dbraw/zinc/00/02/06/220000206.db2.gz DTLMODTYDZBMGJ-AWEZNQCLSA-N 0 0 371.412 3.717 40 0 FHABRN COC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 ZINC000061108944 212024158 /nfs/dbraw/zinc/02/41/58/212024158.db2.gz DVFLSRBSNQXUOE-UHFFFAOYSA-N 0 0 363.417 3.587 40 0 FHABRN CC(C)c1nnc(SCC(=O)Nc2cccc(Br)c2)o1 ZINC000059216822 212015960 /nfs/dbraw/zinc/01/59/60/212015960.db2.gz BNUJEQSBYJEVNT-UHFFFAOYSA-N 0 0 356.245 3.686 40 0 FHABRN CC(C)c1nnc(SCC(=O)Nc2ccccc2Br)o1 ZINC000059213359 212014636 /nfs/dbraw/zinc/01/46/36/212014636.db2.gz DPYOOFNVDVZPQW-UHFFFAOYSA-N 0 0 356.245 3.686 40 0 FHABRN CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1 ZINC000013479887 220070117 /nfs/dbraw/zinc/07/01/17/220070117.db2.gz IDOAPXHGQAMUBM-UHFFFAOYSA-N 0 0 366.417 3.620 40 0 FHABRN O=c1cc(-c2nc3c4c5c(sc4ncn3n2)CCC5)c2ccccc2[nH]1 ZINC000013495702 220070845 /nfs/dbraw/zinc/07/08/45/220070845.db2.gz PRBAPOZVODRMOK-UHFFFAOYSA-N 0 0 359.414 3.749 40 0 FHABRN CSc1ccc(NC(=O)N2[C@@H]3CC[C@H]2CC(O)(c2cccnc2)C3)cc1 ZINC000013563688 220074712 /nfs/dbraw/zinc/07/47/12/220074712.db2.gz QFBSIXYXMQLIDC-XEWABKELSA-N 0 0 369.490 3.850 40 0 FHABRN CCOC(=O)c1cccc(NC(=O)CCCOc2ccc(OC)cc2)c1C ZINC000013671058 220082156 /nfs/dbraw/zinc/08/21/56/220082156.db2.gz ABCUOKPCJRBFLI-UHFFFAOYSA-N 0 0 371.433 3.978 40 0 FHABRN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014427487 220124585 /nfs/dbraw/zinc/12/45/85/220124585.db2.gz NCZYCWOULMRRKH-UHFFFAOYSA-N 0 0 360.816 3.970 40 0 FHABRN Cc1cc2nc(NC(=O)CN3CCc4ccccc4C3)sc2cc1C ZINC000014608262 220128682 /nfs/dbraw/zinc/12/86/82/220128682.db2.gz VQXBVMDYGSQQRF-UHFFFAOYSA-N 0 0 351.475 3.910 40 0 FHABRN O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)N1CCCCCC1 ZINC000015052816 220143029 /nfs/dbraw/zinc/14/30/29/220143029.db2.gz JALHAHMEEANHNM-JUBDITTISA-N 0 0 370.474 3.682 40 0 FHABRN CCCCc1c(C)nc2ccc(Br)cc2c1SC(N)N ZINC000019326469 220249679 /nfs/dbraw/zinc/24/96/79/220249679.db2.gz APMUURRIHSFEEL-UHFFFAOYSA-N 0 0 354.317 3.941 40 0 FHABRN Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccccc2Br)C1=O ZINC000036635509 211671162 /nfs/dbraw/zinc/67/11/62/211671162.db2.gz WKKMIVXXKLIUPB-OAHLLOKOSA-N 0 0 373.250 3.810 40 0 FHABRN O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1F ZINC000036635716 211671166 /nfs/dbraw/zinc/67/11/66/211671166.db2.gz NLUUTNMHEZEZFB-ZDUSSCGKSA-N 0 0 353.180 3.877 40 0 FHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000030852837 211526288 /nfs/dbraw/zinc/52/62/88/211526288.db2.gz SCCUTHVRQJSUOC-SFHVURJKSA-N 0 0 356.397 3.749 40 0 FHABRN Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)c1 ZINC000028188833 211480381 /nfs/dbraw/zinc/48/03/81/211480381.db2.gz HURTWMJZOGGSDC-UHFFFAOYSA-N 0 0 371.462 3.761 40 0 FHABRN CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(OC)cc1 ZINC000024616145 211409183 /nfs/dbraw/zinc/40/91/83/211409183.db2.gz ITNFFEJEIMNSQK-SFHVURJKSA-N 0 0 355.434 3.667 40 0 FHABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc(C)cc1 ZINC000022514610 211352757 /nfs/dbraw/zinc/35/27/57/211352757.db2.gz JAMJLCZODIBERF-IBGZPJMESA-N 0 0 374.506 3.662 40 0 FHABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2C)cc1Cl ZINC000022515557 211351648 /nfs/dbraw/zinc/35/16/48/211351648.db2.gz IEBSUMCGMVYKFA-UHFFFAOYSA-N 0 0 367.854 3.767 40 0 FHABRN Cc1cc(C)c(N(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c(C)c1 ZINC000022383329 211348568 /nfs/dbraw/zinc/34/85/68/211348568.db2.gz OFBVALHRGHHLRH-UHFFFAOYSA-N 0 0 374.506 3.633 40 0 FHABRN CCOc1ccc(NC(=O)c2cn(C)c3ccc(OCC)cc3c2=O)cc1 ZINC000022237245 211344596 /nfs/dbraw/zinc/34/45/96/211344596.db2.gz HQHMGADWOKZRTQ-UHFFFAOYSA-N 0 0 366.417 3.588 40 0 FHABRN CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236668 211342937 /nfs/dbraw/zinc/34/29/37/211342937.db2.gz ZYMUJYPMULTQRY-UHFFFAOYSA-N 0 0 374.362 3.970 40 0 FHABRN C[C@H](NC(=O)c1cnc2ccccc2c1O)c1cccc(Br)c1 ZINC000022234068 211342740 /nfs/dbraw/zinc/34/27/40/211342740.db2.gz FJZFONFKOBMEJK-NSHDSACASA-N 0 0 371.234 3.782 40 0 FHABRN Cn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2ccccc21 ZINC000022234347 211342564 /nfs/dbraw/zinc/34/25/64/211342564.db2.gz ZMXGGAPFMGAAJG-UHFFFAOYSA-N 0 0 364.298 3.949 40 0 FHABRN CCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2cc(OC)ccc21 ZINC000022235692 211342444 /nfs/dbraw/zinc/34/24/44/211342444.db2.gz SQXKVBZFPSZONX-CQSZACIVSA-N 0 0 350.418 3.521 40 0 FHABRN CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236881 211342153 /nfs/dbraw/zinc/34/21/53/211342153.db2.gz NLZAWDGTEAJGDW-UHFFFAOYSA-N 0 0 352.356 3.666 40 0 FHABRN CCOc1ccc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)cc1 ZINC000022235830 211341921 /nfs/dbraw/zinc/34/19/21/211341921.db2.gz XKIOUFGNKYXIFD-UHFFFAOYSA-N 0 0 366.417 3.681 40 0 FHABRN COc1ccc(-c2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)cc1 ZINC000022606818 211356978 /nfs/dbraw/zinc/35/69/78/211356978.db2.gz WIVPJXHGQNMXCE-UHFFFAOYSA-N 0 0 370.412 3.688 40 0 FHABRN CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000021836403 211326580 /nfs/dbraw/zinc/32/65/80/211326580.db2.gz RCSXRROBJDIKDA-JQTSXJCQSA-N 0 0 355.434 3.993 40 0 FHABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000021307582 211311137 /nfs/dbraw/zinc/31/11/37/211311137.db2.gz WVHQUXYNYBBOKG-MRXNPFEDSA-N 0 0 363.841 3.831 40 0 FHABRN CCOC(=O)c1cnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1N ZINC000020636000 211291369 /nfs/dbraw/zinc/29/13/69/211291369.db2.gz XKWHFEUUNVWHBV-UHFFFAOYSA-N 0 0 358.829 3.932 40 0 FHABRN FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)cc1 ZINC000067898716 211286534 /nfs/dbraw/zinc/28/65/34/211286534.db2.gz RTDHNQQHIABDAJ-INIZCTEOSA-N 0 0 367.371 3.759 40 0 biogenic,in-vitro FHABRN Fc1ccc(-c2cc(CC3(NCc4ccccc4F)COC3)no2)cc1 ZINC000067897868 211274890 /nfs/dbraw/zinc/27/48/90/211274890.db2.gz TVFFGMKFHZWZGE-UHFFFAOYSA-N 0 0 356.372 3.721 40 0 biogenic,in-vitro FHABRN Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1Cl ZINC000020110558 211268376 /nfs/dbraw/zinc/26/83/76/211268376.db2.gz VYRRFQGKSPSBGG-UHFFFAOYSA-N 0 0 373.261 3.926 40 0 FHABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020050813 211266465 /nfs/dbraw/zinc/26/64/65/211266465.db2.gz WTJMBXLIDCJGES-UHFFFAOYSA-N 0 0 373.261 3.926 40 0 FHABRN COc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(Cl)c1Cl ZINC000020045151 211266597 /nfs/dbraw/zinc/26/65/97/211266597.db2.gz NUUCDHKUNAKQDP-UHFFFAOYSA-N 0 0 352.283 3.955 40 0 FHABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(Br)cc1 ZINC000020040171 211265238 /nfs/dbraw/zinc/26/52/38/211265238.db2.gz DACSGVZBJBHCFD-UHFFFAOYSA-N 0 0 370.250 3.873 40 0 FHABRN COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1Cl ZINC000020029821 211264621 /nfs/dbraw/zinc/26/46/21/211264621.db2.gz ONBYYAPPKKWVKF-UHFFFAOYSA-N 0 0 351.733 3.567 40 0 FHABRN CCn1cc(-c2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)no2)cn1 ZINC000019719265 211251764 /nfs/dbraw/zinc/25/17/64/211251764.db2.gz KBVKOWXCQGGSCU-INIZCTEOSA-N 0 0 366.421 3.590 40 0 FHABRN CC(C)c1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000019718894 211251399 /nfs/dbraw/zinc/25/13/99/211251399.db2.gz QUHRJDRTLMKPBE-LLVKDONJSA-N 0 0 363.870 3.912 40 0 FHABRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000019886511 211259427 /nfs/dbraw/zinc/25/94/27/211259427.db2.gz XKIXBCVCXLFZHZ-UHFFFAOYSA-N 0 0 372.368 3.719 40 0 FHABRN CCC(=O)N1CCC[C@H]1c1cc(C(F)(F)F)c2c(NC(C)C)n[nH]c2n1 ZINC000019742545 211253783 /nfs/dbraw/zinc/25/37/83/211253783.db2.gz HRIVEMCMNMRSCQ-LBPRGKRZSA-N 0 0 369.391 3.871 40 0 FHABRN Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)s1 ZINC000019748987 211253808 /nfs/dbraw/zinc/25/38/08/211253808.db2.gz ZPGPTYXNCVDKBN-QGZVFWFLSA-N 0 0 371.506 3.575 40 0 FHABRN O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cn2cc(Cl)ccc2n1 ZINC000019716758 211248796 /nfs/dbraw/zinc/24/87/96/211248796.db2.gz HOMSDBVFGGCKMX-UHFFFAOYSA-N 0 0 369.787 3.624 40 0 FHABRN COc1ccc(-c2nc(C(=O)Nc3ccc4ncn(C)c4c3)cs2)cc1 ZINC000019717304 211248588 /nfs/dbraw/zinc/24/85/88/211248588.db2.gz XGYLWBIBXPNLRU-UHFFFAOYSA-N 0 0 364.430 3.958 40 0 FHABRN CCc1[nH]nc(-c2cc(NCCc3ccccc3OC)nc(C)n2)c1C ZINC000019717911 211248269 /nfs/dbraw/zinc/24/82/69/211248269.db2.gz DWEMEAZYHNKCTH-UHFFFAOYSA-N 0 0 351.454 3.709 40 0 FHABRN Cc1ccc(C)c2c1cc(C(=O)Nc1cccc(Cn3cncn3)c1)n2C ZINC000019714550 211247319 /nfs/dbraw/zinc/24/73/19/211247319.db2.gz 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CCOC(=O)[C@@H](c1ccccc1)[C@@H](C(=O)OCC)c1ccc(OC)cc1 ZINC000001628158 210362507 /nfs/dbraw/zinc/36/25/07/210362507.db2.gz QTZVCDORJRLVES-OALUTQOASA-N 0 0 356.418 3.689 40 0 FHABRN COC(=O)c1nnn(-c2c(C)cccc2C(C)C)c1C(=O)c1ccccc1 ZINC000001588952 210360591 /nfs/dbraw/zinc/36/05/91/210360591.db2.gz GFYPZQYJMMGGQM-UHFFFAOYSA-N 0 0 363.417 3.717 40 0 FHABRN COc1ccc([C@@H](C)c2cc3c(cc2OCCOC(C)=O)OCO3)cc1 ZINC000001582754 210359002 /nfs/dbraw/zinc/35/90/02/210359002.db2.gz HUSSGBLJTKNBQF-CYBMUJFWSA-N 0 0 358.390 3.518 40 0 FHABRN O=C1N[C@@]2(CCS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000001472424 210356434 /nfs/dbraw/zinc/35/64/34/210356434.db2.gz OEAITSXEKASUBS-QFBILLFUSA-N 0 0 351.431 3.730 40 0 FHABRN Cc1ccc(C(=O)N[C@@H](NC(=O)Nc2ccccc2F)C(F)(F)F)cc1 ZINC000001440448 210352953 /nfs/dbraw/zinc/35/29/53/210352953.db2.gz YIEONCNDGXOEMM-HNNXBMFYSA-N 0 0 369.318 3.574 40 0 FHABRN COc1cccc(NC(=O)CSc2nsc3nc4ccccc4n23)c1 ZINC000001455319 210355333 /nfs/dbraw/zinc/35/53/33/210355333.db2.gz 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CCOc1ccc(NC(=O)COc2cccc(-c3nc(CC)no3)c2)cc1 ZINC000072242814 221454109 /nfs/dbraw/zinc/45/41/09/221454109.db2.gz ZIDSNKSNINGBPJ-UHFFFAOYSA-N 0 0 367.405 3.715 40 0 FHABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)C(C)(C)O)C3)c2)c1 ZINC000072354145 221478321 /nfs/dbraw/zinc/47/83/21/221478321.db2.gz PBCGKLKWRNWTHG-FQEVSTJZSA-N 0 0 366.505 3.766 40 0 FHABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)n1 ZINC000072354081 221479342 /nfs/dbraw/zinc/47/93/42/221479342.db2.gz MSPXGWASHAZYOJ-FQEVSTJZSA-N 0 0 374.488 3.734 40 0 FHABRN Cc1n[nH]cc1C(=O)N1CCC(c2cncc(-c3ccccc3C)n2)CC1 ZINC000072359683 221481299 /nfs/dbraw/zinc/48/12/99/221481299.db2.gz VTRNPQHJJLTPOR-UHFFFAOYSA-N 0 0 361.449 3.503 40 0 FHABRN Cc1ccccc1C1=NO[C@H](CC2(C(=O)[O-])CC[NH+](CC(C)C)CC2)C1 ZINC000072389721 221491684 /nfs/dbraw/zinc/49/16/84/221491684.db2.gz NSOPTCYUQALWHZ-KRWDZBQOSA-N 0 0 358.482 3.701 40 0 FHABRN O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cscn1 ZINC000072396970 221493830 /nfs/dbraw/zinc/49/38/30/221493830.db2.gz 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132253071 /nfs/dbraw/zinc/25/30/71/132253071.db2.gz QEXZGMWTUOGKGV-UHFFFAOYSA-N 0 0 372.538 3.845 40 0 FHABRN Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)C2)n1 ZINC000004967688 132255810 /nfs/dbraw/zinc/25/58/10/132255810.db2.gz ZNDGILXDPUWKJQ-OAHLLOKOSA-N 0 0 358.873 3.910 40 0 FHABRN CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000216426040 132270988 /nfs/dbraw/zinc/27/09/88/132270988.db2.gz CEQYHGOCQXDGLE-LJQANCHMSA-N 0 0 356.441 3.640 40 0 FHABRN Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000219854630 132275190 /nfs/dbraw/zinc/27/51/90/132275190.db2.gz BFQKSLMJSUGWIT-UHFFFAOYSA-N 0 0 352.434 3.621 40 0 FHABRN CCOc1ccccc1CNC(=O)C1CCN(c2ccc(C)cc2)CC1 ZINC000219863008 132275231 /nfs/dbraw/zinc/27/52/31/132275231.db2.gz XAZOUZXUERLHHA-UHFFFAOYSA-N 0 0 352.478 3.927 40 0 FHABRN CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000222878290 132277834 /nfs/dbraw/zinc/27/78/34/132277834.db2.gz UONUDDIQBKEAKJ-NRFANRHFSA-N 0 0 370.468 3.894 40 0 FHABRN COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl ZINC000223305636 132279299 /nfs/dbraw/zinc/27/92/99/132279299.db2.gz FAEQCDZOSDXBAB-UHFFFAOYSA-N 0 0 358.869 3.928 40 0 FHABRN CCCCc1ccc(C[C@@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000225150165 132284297 /nfs/dbraw/zinc/28/42/97/132284297.db2.gz NJVZIFRJWSSYOY-QFIPXVFZSA-N 0 0 366.505 3.847 40 0 FHABRN C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccco2)n1 ZINC000225913879 132287495 /nfs/dbraw/zinc/28/74/95/132287495.db2.gz KDHQXZTUNMWUGA-LLVKDONJSA-N 0 0 365.890 3.588 40 0 FHABRN Cc1cc(N2CCCCC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 ZINC000225962206 132287728 /nfs/dbraw/zinc/28/77/28/132287728.db2.gz WQZWXPJHPRPEMZ-HNNXBMFYSA-N 0 0 355.511 3.823 40 0 FHABRN Cc1cc(C)nc(N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)n1 ZINC000257239784 132295556 /nfs/dbraw/zinc/29/55/56/132295556.db2.gz HQTNJLJCQGHBMP-NRFANRHFSA-N 0 0 360.461 3.657 40 0 FHABRN CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(N[C@@H](CO)C(C)C)n1 ZINC000328970736 132372128 /nfs/dbraw/zinc/37/21/28/132372128.db2.gz DLVCRZRDGDHSNK-UZLBHIALSA-N 0 0 368.525 3.980 40 0 FHABRN COc1cc2c(cc1OC)CN(c1cc(NC3CC3)nc(C3CC3)n1)CC2 ZINC000329008978 132372315 /nfs/dbraw/zinc/37/23/15/132372315.db2.gz LTUZZBHMFPJDFQ-UHFFFAOYSA-N 0 0 366.465 3.508 40 0 FHABRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccccc1F ZINC000006615582 132833206 /nfs/dbraw/zinc/83/32/06/132833206.db2.gz MPOLZLYEXGAIGK-UHFFFAOYSA-N 0 0 357.454 3.943 40 0 FHABRN CCCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2F)CC1 ZINC000057669747 136129756 /nfs/dbraw/zinc/12/97/56/136129756.db2.gz KERCTTKKZWYQRJ-GOSISDBHSA-N 0 0 374.508 3.621 40 0 FHABRN Cc1cccc(N2CCN([C@H](CC(C)C)c3nnnn3C(C)C)CC2)c1C ZINC000057670205 136130006 /nfs/dbraw/zinc/13/00/06/136130006.db2.gz BZVSOQBYOOAVSQ-HXUWFJFHSA-N 0 0 370.545 3.780 40 0 FHABRN c1cncc(-c2nc(N3CCCCC3)ncc2-c2ccc3c(c2)OCO3)c1 ZINC000072339501 136144519 /nfs/dbraw/zinc/14/45/19/136144519.db2.gz UPSVSODZAAVCCT-UHFFFAOYSA-N 0 0 360.417 3.925 40 0 FHABRN CC(C)(C)OC(=O)N1CC[C@@H]2Nc3ccc(Br)cc3[C@@H]2C1 ZINC000091302786 221751892 /nfs/dbraw/zinc/75/18/92/221751892.db2.gz YMSAVEMRGDWREM-JSGCOSHPSA-N 0 0 353.260 3.968 40 0 FHABRN COC[C@H]1COCCC12CCN(C(=O)c1ccc3ccccc3c1)CC2 ZINC000096106299 222024911 /nfs/dbraw/zinc/02/49/11/222024911.db2.gz BJYTVAQRIZMEOY-FQEVSTJZSA-N 0 0 353.462 3.745 40 0 FHABRN Cc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4C)C[C@H]3F)nc2c1 ZINC000096112314 222029658 /nfs/dbraw/zinc/02/96/58/222029658.db2.gz AGECQXWKVNLSJZ-XLIONFOSSA-N 0 0 353.441 3.919 40 0 biogenic,in-vitro FHABRN Cn1ccc(-c2cc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn23)n1 ZINC000096037913 221994659 /nfs/dbraw/zinc/99/46/59/221994659.db2.gz IRURIHQULIOIRR-UHFFFAOYSA-N 0 0 366.371 3.548 40 0 FHABRN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)c(C)o1 ZINC000096099564 222022069 /nfs/dbraw/zinc/02/20/69/222022069.db2.gz ZAXHZMYMIJASPD-BYICEURKSA-N 0 0 373.474 3.506 40 0 FHABRN Cc1cccc(N2C[C@@]3(CCN(C(=O)Nc4ccc(F)cc4)C3)CC2=O)c1 ZINC000096238535 222094120 /nfs/dbraw/zinc/09/41/20/222094120.db2.gz RYUBEAZYRXQGCL-NRFANRHFSA-N 0 0 367.424 3.795 40 0 FHABRN Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)cn1 ZINC000096264166 222104562 /nfs/dbraw/zinc/10/45/62/222104562.db2.gz MLHGCXGGQJNSOB-UHFFFAOYSA-N 0 0 361.449 3.742 40 0 FHABRN c1cc(CN2CCC[C@@H]2c2nnn3cc(-c4ccncc4)ccc23)ccn1 ZINC000096267887 222106925 /nfs/dbraw/zinc/10/69/25/222106925.db2.gz APCLDXAWWVPWCO-LJQANCHMSA-N 0 0 356.433 3.523 40 0 FHABRN CCN(Cc1ccccc1)C(=O)c1nc2c(n1C(C)C)CCN(C(C)C)C2 ZINC000096147116 222048974 /nfs/dbraw/zinc/04/89/74/222048974.db2.gz YRHAGINDJINPMM-UHFFFAOYSA-N 0 0 368.525 3.893 40 0 FHABRN COc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000096297092 222112479 /nfs/dbraw/zinc/11/24/79/222112479.db2.gz PRDKNENIXHUKLH-CYBMUJFWSA-N 0 0 352.390 3.899 40 0 biogenic,in-vitro FHABRN O=C(C1CCC1)N1CC[C@H](Oc2cccnc2)[C@@H](Cc2ccccc2)C1 ZINC000096206312 222076721 /nfs/dbraw/zinc/07/67/21/222076721.db2.gz HTFGCRSRYIYXGT-FPOVZHCZSA-N 0 0 350.462 3.720 40 0 FHABRN Cc1ccoc1C(=O)N1CCOC[C@@H]1c1csc(-c2ccccc2)n1 ZINC000096217364 222082045 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CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O ZINC000224620665 570995206 /nfs/dbraw/zinc/99/52/06/570995206.db2.gz QFCOVOHKQZHMJY-OALUTQOASA-N 0 0 364.474 3.786 40 0 FHABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)[nH]1 ZINC000224621735 570995300 /nfs/dbraw/zinc/99/53/00/570995300.db2.gz VGZVVPHWGXIBDJ-ROUUACIJSA-N 0 0 350.447 3.601 40 0 FHABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1 ZINC000224646892 570996048 /nfs/dbraw/zinc/99/60/48/570996048.db2.gz KPZNTXVSERGLGH-QGZVFWFLSA-N 0 0 370.468 3.700 40 0 FHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000224666316 570996573 /nfs/dbraw/zinc/99/65/73/570996573.db2.gz RTIVKRZDKSJNLZ-INIZCTEOSA-N 0 0 372.896 3.826 40 0 FHABRN CCOCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC ZINC000224697498 570997518 /nfs/dbraw/zinc/99/75/18/570997518.db2.gz RMIZHACWNABNRK-UHFFFAOYSA-N 0 0 357.406 3.661 40 0 FHABRN CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224705019 570997861 /nfs/dbraw/zinc/99/78/61/570997861.db2.gz 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Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C ZINC000225012443 571010173 /nfs/dbraw/zinc/01/01/73/571010173.db2.gz BMMFMBJZJZOERF-RTBURBONSA-N 0 0 354.523 3.952 40 0 FHABRN Cc1cccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 ZINC000225066025 571012636 /nfs/dbraw/zinc/01/26/36/571012636.db2.gz AXISOQDLTJROGP-UHFFFAOYSA-N 0 0 358.488 3.780 40 0 FHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000225094216 571014635 /nfs/dbraw/zinc/01/46/35/571014635.db2.gz OAVHOMXDUKPEPI-MOPGFXCFSA-N 0 0 366.505 3.870 40 0 FHABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000225102315 571014874 /nfs/dbraw/zinc/01/48/74/571014874.db2.gz GZXUOCKVIOLDEB-NRFANRHFSA-N 0 0 366.505 3.871 40 0 FHABRN CCCC[C@H](CC)CNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000225120305 571016459 /nfs/dbraw/zinc/01/64/59/571016459.db2.gz SBUUIVLMVLOLGX-AWEZNQCLSA-N 0 0 372.556 3.862 40 0 FHABRN O=C(Cc1ccc(Cl)cc1F)NCC1(c2ccccc2)CCOCC1 ZINC000225123075 571016542 /nfs/dbraw/zinc/01/65/42/571016542.db2.gz 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COc1cccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000013671105 220082976 /nfs/dbraw/zinc/08/29/76/220082976.db2.gz JJMHKJNOASVLLI-UHFFFAOYSA-N 0 0 355.459 3.760 40 0 FHABRN COc1ccccc1CN(Cc1ccc(O)c(OC)c1)C[C@H]1CCCO1 ZINC000013995119 220101767 /nfs/dbraw/zinc/10/17/67/220101767.db2.gz WCEIINAPCIWBDH-GOSISDBHSA-N 0 0 357.450 3.591 40 0 FHABRN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014373065 220122907 /nfs/dbraw/zinc/12/29/07/220122907.db2.gz LBKMBMSWLXWPDL-UHFFFAOYSA-N 0 0 360.816 3.970 40 0 FHABRN CC1(C)C=Cc2c(cc3occ(-c4ccc(O)cc4O)c(O)c-3c2=O)O1 ZINC000014637754 220128101 /nfs/dbraw/zinc/12/81/01/220128101.db2.gz YKYNYMQDXOWMDT-UHFFFAOYSA-N 0 0 352.342 3.761 40 0 biogenic,in-vitro FHABRN CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000044904769 211807470 /nfs/dbraw/zinc/80/74/70/211807470.db2.gz CXHIQMKPCKOWCL-ZDUSSCGKSA-N 0 0 353.871 3.919 40 0 FHABRN CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)c(C)c1 ZINC000044904750 211807329 /nfs/dbraw/zinc/80/73/29/211807329.db2.gz LOVFVBDKSSKERR-LJQANCHMSA-N 0 0 371.433 3.976 40 0 FHABRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000044844152 211803425 /nfs/dbraw/zinc/80/34/25/211803425.db2.gz YANOVHZMDJPJMP-XBXARRHUSA-N 0 0 373.792 3.897 40 0 FHABRN Cc1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)ccc1N1CCCC1=O ZINC000044855071 211802918 /nfs/dbraw/zinc/80/29/18/211802918.db2.gz RJTGFMOZMYAPGQ-UHFFFAOYSA-N 0 0 374.444 3.619 40 0 FHABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000016951813 220198809 /nfs/dbraw/zinc/19/88/09/220198809.db2.gz XZTUSOXSLKTKJQ-VDJKCIMNSA-N 0 0 374.521 3.604 40 0 biogenic,in-vivo FHABRN CC(C)(C)OC(=O)N1CCC[C@@H](COc2cccc(Br)n2)C1 ZINC000040434954 211745617 /nfs/dbraw/zinc/74/56/17/211745617.db2.gz BIWFCUZPVIMTCB-GFCCVEGCSA-N 0 0 371.275 3.870 40 0 FHABRN CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000038772470 211703533 /nfs/dbraw/zinc/70/35/33/211703533.db2.gz ALTZNASRMFBTRC-INIZCTEOSA-N 0 0 357.450 3.610 40 0 FHABRN COc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000035314070 211633366 /nfs/dbraw/zinc/63/33/66/211633366.db2.gz RRPHUFWKPPETRT-AWEZNQCLSA-N 0 0 371.412 3.717 40 0 FHABRN CCc1noc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)n1 ZINC000033012605 211583343 /nfs/dbraw/zinc/58/33/43/211583343.db2.gz YQRNOIHJRWRXEL-UHFFFAOYSA-N 0 0 357.797 3.970 40 0 FHABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(C)cc1C ZINC000028189197 211480390 /nfs/dbraw/zinc/48/03/90/211480390.db2.gz OOGJTERLUSYJBH-UHFFFAOYSA-N 0 0 371.462 3.842 40 0 FHABRN CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000022540351 211355194 /nfs/dbraw/zinc/35/51/94/211355194.db2.gz NSLHJLBZLRSLKI-NSHDSACASA-N 0 0 357.834 3.917 40 0 FHABRN COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccccc2Cl)cc1OC ZINC000022523766 211353754 /nfs/dbraw/zinc/35/37/54/211353754.db2.gz GWDSIBLYBGJDNK-ZDUSSCGKSA-N 0 0 363.841 3.783 40 0 FHABRN O=C(NCC1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000022406574 211349940 /nfs/dbraw/zinc/34/99/40/211349940.db2.gz ZEORZKLNUJHUEI-UHFFFAOYSA-N 0 0 372.490 3.798 40 0 FHABRN Cc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c(C)c1 ZINC000022379164 211348620 /nfs/dbraw/zinc/34/86/20/211348620.db2.gz RDDCBAMBWTVORR-UHFFFAOYSA-N 0 0 374.506 3.832 40 0 FHABRN CCc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2s1 ZINC000022255141 211343750 /nfs/dbraw/zinc/34/37/50/211343750.db2.gz GCJRWZDCNKRPEF-UHFFFAOYSA-N 0 0 362.476 3.977 40 0 FHABRN CCn1cc(C(=O)Nc2ccc(C)c(C)c2)c(=O)c2cc(OC)ccc21 ZINC000022235730 211342755 /nfs/dbraw/zinc/34/27/55/211342755.db2.gz URVAOUFTXHNKTR-UHFFFAOYSA-N 0 0 350.418 3.899 40 0 FHABRN CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236646 211342479 /nfs/dbraw/zinc/34/24/79/211342479.db2.gz POMIAIFVPMALLR-UHFFFAOYSA-N 0 0 352.356 3.713 40 0 FHABRN CCn1cc(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2cc(OC)ccc21 ZINC000022236102 211341406 /nfs/dbraw/zinc/34/14/06/211341406.db2.gz XGEHAXYONDRTFK-UHFFFAOYSA-N 0 0 358.344 3.561 40 0 FHABRN Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000021915083 211330103 /nfs/dbraw/zinc/33/01/03/211330103.db2.gz YYVXUCCSYQDYNQ-MRXNPFEDSA-N 0 0 373.250 3.810 40 0 FHABRN COC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000021870762 211329146 /nfs/dbraw/zinc/32/91/46/211329146.db2.gz YDJCFWVWKHSNQL-CQSZACIVSA-N 0 0 350.418 3.675 40 0 FHABRN Cc1ccc(CN2CN=C(Nc3nc(C)c4cc(C)c(C)cc4n3)NC2)cc1 ZINC000020634234 211291759 /nfs/dbraw/zinc/29/17/59/211291759.db2.gz FBRNGJQTTKCMPY-UHFFFAOYSA-N 0 0 374.492 3.652 40 0 FHABRN Fc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)cc1 ZINC000067898736 211286398 /nfs/dbraw/zinc/28/63/98/211286398.db2.gz XAUYGSXMKYJFID-IBGZPJMESA-N 0 0 355.388 3.928 40 0 biogenic,in-vitro FHABRN Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1Cl ZINC000020489499 211283493 /nfs/dbraw/zinc/28/34/93/211283493.db2.gz OTLKIUXYUBSDOS-UHFFFAOYSA-N 0 0 373.261 3.926 40 0 FHABRN Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000020493435 211283579 /nfs/dbraw/zinc/28/35/79/211283579.db2.gz QLDZXWXPBBORFT-UHFFFAOYSA-N 0 0 368.296 3.719 40 0 FHABRN Cc1c(Cl)cccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000020491967 211283061 /nfs/dbraw/zinc/28/30/61/211283061.db2.gz WEXDGBAFCVXZGH-UHFFFAOYSA-N 0 0 373.261 3.926 40 0 FHABRN CSc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000020455102 211281766 /nfs/dbraw/zinc/28/17/66/211281766.db2.gz KHNMQGUWFMVYRY-UHFFFAOYSA-N 0 0 370.883 3.686 40 0 FHABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(C)ccc3C)cc2C[C@@H]1C ZINC000020448967 211278559 /nfs/dbraw/zinc/27/85/59/211278559.db2.gz QTQIBXYCHMTKOP-HNNXBMFYSA-N 0 0 372.490 3.656 40 0 FHABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccccc1 ZINC000020151460 211270898 /nfs/dbraw/zinc/27/08/98/211270898.db2.gz RACSKHOECYYVLG-UHFFFAOYSA-N 0 0 366.442 3.874 40 0 FHABRN CC[C@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)cc1 ZINC000020112773 211267944 /nfs/dbraw/zinc/26/79/44/211267944.db2.gz VVIZWRLTNLVSRC-KRWDZBQOSA-N 0 0 351.493 3.847 40 0 FHABRN CCN1c2ccc(-c3cncn3CCc3c(C)nn(C)c3C)cc2C[C@@H]1C ZINC000019719453 211251375 /nfs/dbraw/zinc/25/13/75/211251375.db2.gz HINKKLRDFAHFER-HNNXBMFYSA-N 0 0 363.509 3.914 40 0 FHABRN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cnn(CC)c2)on1 ZINC000019719260 211250702 /nfs/dbraw/zinc/25/07/02/211250702.db2.gz IQUJVGUDRHGKKQ-KRWDZBQOSA-N 0 0 356.401 3.920 40 0 FHABRN O=C(Nc1ccc(Cl)cc1Cl)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937232 211262069 /nfs/dbraw/zinc/26/20/69/211262069.db2.gz LTQJFJFKJGZCTE-UHFFFAOYSA-N 0 0 360.200 3.996 40 0 FHABRN Cc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1NS(C)(=O)=O ZINC000019933356 211261542 /nfs/dbraw/zinc/26/15/42/211261542.db2.gz IKBMSMWCNFMQSW-IBGZPJMESA-N 0 0 374.506 3.884 40 0 FHABRN Cc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1cc(F)cc(F)c1)C2 ZINC000019817215 211257286 /nfs/dbraw/zinc/25/72/86/211257286.db2.gz KSGSCFVSYSISKH-CQSZACIVSA-N 0 0 368.387 3.778 40 0 FHABRN COc1cccc2cc(C(=O)NCc3nnc(-c4ccccc4)o3)c(C)nc21 ZINC000019715393 211249958 /nfs/dbraw/zinc/24/99/58/211249958.db2.gz YAEPYADIWOKTOK-UHFFFAOYSA-N 0 0 374.400 3.532 40 0 FHABRN Cc1ccc(-c2cc(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)no2)cc1 ZINC000019715045 211249794 /nfs/dbraw/zinc/24/97/94/211249794.db2.gz FHVYZIQTQVGGDG-JOCHJYFZSA-N 0 0 362.429 3.692 40 0 FHABRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C ZINC000019716882 211249363 /nfs/dbraw/zinc/24/93/63/211249363.db2.gz HTMVANWIDSZMIE-CQSZACIVSA-N 0 0 366.509 3.733 40 0 FHABRN Cn1cnc2ccc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)cc21 ZINC000019716503 211248918 /nfs/dbraw/zinc/24/89/18/211248918.db2.gz TWJJUIBWDLEWRJ-GFCCVEGCSA-N 0 0 352.438 3.965 40 0 FHABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1cccnc1)C(=O)O3 ZINC000019565726 211236503 /nfs/dbraw/zinc/23/65/03/211236503.db2.gz RMEWYYOHPSPTMF-UHFFFAOYSA-N 0 0 371.400 3.639 40 0 FHABRN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3cccnc3)[nH]n2)cc1 ZINC000019703679 211246336 /nfs/dbraw/zinc/24/63/36/211246336.db2.gz YXJCARDMSBNPHP-NRFANRHFSA-N 0 0 366.440 3.902 40 0 FHABRN CCCn1cnc(NC(=O)c2cc(-c3ccccn3)nc3ccc(C)cc32)n1 ZINC000019665136 211245788 /nfs/dbraw/zinc/24/57/88/211245788.db2.gz ZXBSXEYBWNSCAG-UHFFFAOYSA-N 0 0 372.432 3.859 40 0 FHABRN Cc1cc(C)c2nc(C)c(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc2c1 ZINC000019665610 211245692 /nfs/dbraw/zinc/24/56/92/211245692.db2.gz KEDZGFMJKQWMTA-UHFFFAOYSA-N 0 0 361.401 3.743 40 0 FHABRN CC(C)c1nc2ccc(NC(=O)CN(C)Cc3ccccn3)cc2s1 ZINC000019453847 211223862 /nfs/dbraw/zinc/22/38/62/211223862.db2.gz QUDXYVXKPCBMLW-UHFFFAOYSA-N 0 0 354.479 3.885 40 0 FHABRN CC(C)CC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(N)=O)C1 ZINC000019446194 211222001 /nfs/dbraw/zinc/22/20/01/211222001.db2.gz OCJQWXQTICZARB-OAQYLSRUSA-N 0 0 370.518 3.708 40 0 FHABRN COc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)n2nc(C)cc2C)c(OC)c1 ZINC000019572837 211235399 /nfs/dbraw/zinc/23/53/99/211235399.db2.gz RDODCXKTBBCFIE-APWZRJJASA-N 0 0 371.481 3.832 40 0 FHABRN Cc1noc2nc([C@@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc(C(F)(F)F)c12 ZINC000019563782 211233864 /nfs/dbraw/zinc/23/38/64/211233864.db2.gz RPBFQADZXMQREJ-MVWJERBFSA-N 0 0 367.371 3.912 40 0 FHABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)c1C ZINC000019558036 211233240 /nfs/dbraw/zinc/23/32/40/211233240.db2.gz NUBNZZNUTULQNI-QGZVFWFLSA-N 0 0 368.412 3.727 40 0 FHABRN COc1ccc(N(Cc2cccnc2)C(=O)c2ccn(C(F)F)n2)cc1 ZINC000019556238 211233079 /nfs/dbraw/zinc/23/30/79/211233079.db2.gz VRMQSBXRVXSWFR-UHFFFAOYSA-N 0 0 358.348 3.529 40 0 FHABRN Cc1oc2ncn3nc([C@H](C)NC(=O)CCC4CCCC4)nc3c2c1C ZINC000019559514 211232300 /nfs/dbraw/zinc/23/23/00/211232300.db2.gz YFXJACOAAMUSIS-LBPRGKRZSA-N 0 0 355.442 3.635 40 0 FHABRN COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)Cc2ccccn2)cc1 ZINC000019557542 211232227 /nfs/dbraw/zinc/23/22/27/211232227.db2.gz PTSQYYLFOYPPSL-LGGPRVQUSA-N 0 0 350.462 3.721 40 0 FHABRN CCn1c(CNC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)nc2ccccc21 ZINC000019524343 211229201 /nfs/dbraw/zinc/22/92/01/211229201.db2.gz YBVAXWVOSCBJDA-GFCCVEGCSA-N 0 0 373.888 3.790 40 0 FHABRN CCn1cc([C@H](NC(=O)[C@@H]2CCCO2)c2ccc(F)cc2)c2ccncc21 ZINC000019524816 211228263 /nfs/dbraw/zinc/22/82/63/211228263.db2.gz ISAPSUPEMRELOD-VQTJNVASSA-N 0 0 367.424 3.580 40 0 FHABRN 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FHABRN CCOc1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020451816 211280562 /nfs/dbraw/zinc/28/05/62/211280562.db2.gz LFOKRYKXQZWRPE-UHFFFAOYSA-N 0 0 360.262 3.871 40 0 FHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000020450170 211279311 /nfs/dbraw/zinc/27/93/11/211279311.db2.gz PTQWAHNPSIQEDQ-UHFFFAOYSA-N 0 0 358.463 3.539 40 0 FHABRN COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1OC ZINC000020143233 211270851 /nfs/dbraw/zinc/27/08/51/211270851.db2.gz YDLXYYSWTCFPQZ-UHFFFAOYSA-N 0 0 353.374 3.708 40 0 FHABRN CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1Cl ZINC000020030010 211266475 /nfs/dbraw/zinc/26/64/75/211266475.db2.gz JIKHBTVOVAJJQF-GFCCVEGCSA-N 0 0 369.870 3.787 40 0 FHABRN CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1Cl ZINC000020030020 211265923 /nfs/dbraw/zinc/26/59/23/211265923.db2.gz ZTPONVITMYFGAS-UHFFFAOYSA-N 0 0 365.760 3.957 40 0 FHABRN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 ZINC000020030030 211265250 /nfs/dbraw/zinc/26/52/50/211265250.db2.gz KFMSODUVPNUKRK-CQSZACIVSA-N 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/nfs/dbraw/zinc/23/77/42/211237742.db2.gz QJCJEJPSCDYZPV-DLBZAZTESA-N 0 0 367.493 3.631 40 0 FHABRN Cc1noc2nc(C)cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)c12 ZINC000019715845 211249093 /nfs/dbraw/zinc/24/90/93/211249093.db2.gz LNGHXLGIHABODF-HNNXBMFYSA-N 0 0 351.406 3.872 40 0 FHABRN CC(=O)Nc1c2ccccc2[nH]c1C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000019717726 211249221 /nfs/dbraw/zinc/24/92/21/211249221.db2.gz UEBQSCUPBLHUSP-UHFFFAOYSA-N 0 0 367.424 3.973 40 0 FHABRN Cc1cccc(CN(CCc2ccccc2)Cc2cnn3cccnc23)n1 ZINC000019715788 211248959 /nfs/dbraw/zinc/24/89/59/211248959.db2.gz ODUXPZVHIXROSS-UHFFFAOYSA-N 0 0 357.461 3.678 40 0 FHABRN CCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 ZINC000019694573 211247760 /nfs/dbraw/zinc/24/77/60/211247760.db2.gz GOWVHBZATRUPJF-OAHLLOKOSA-N 0 0 372.900 3.979 40 0 FHABRN CCC(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 ZINC000019695169 211247388 /nfs/dbraw/zinc/24/73/88/211247388.db2.gz PVZTXJROPHCVIZ-UHFFFAOYSA-N 0 0 372.900 3.979 40 0 FHABRN Cn1cnc2ccc(NC(=O)CCc3nc4cc(Cl)ccc4n3C)cc21 ZINC000019714225 211246577 /nfs/dbraw/zinc/24/65/77/211246577.db2.gz BCCWULLDDYMQFJ-UHFFFAOYSA-N 0 0 367.840 3.685 40 0 FHABRN Cn1c(=O)cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c2ccccc21 ZINC000019666186 211245853 /nfs/dbraw/zinc/24/58/53/211245853.db2.gz SHFVJPYVHJBPPT-UHFFFAOYSA-N 0 0 374.444 3.965 40 0 FHABRN Cc1ccc(-c2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)no2)cc1 ZINC000019665387 211245367 /nfs/dbraw/zinc/24/53/67/211245367.db2.gz RJZMTUGTTZXYMR-GOSISDBHSA-N 0 0 352.438 3.691 40 0 FHABRN Cc1nn(C)cc1[C@@H](C)NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000019666678 211244943 /nfs/dbraw/zinc/24/49/43/211244943.db2.gz WXVTYGHWTSEDIV-SNVBAGLBSA-N 0 0 358.829 3.836 40 0 FHABRN Cc1cc(C)n(CC(=O)N[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 ZINC000019573436 211236551 /nfs/dbraw/zinc/23/65/51/211236551.db2.gz SCGPPASWXYTPDN-INIZCTEOSA-N 0 0 374.535 3.735 40 0 FHABRN Cc1sc(NC(=O)CC[C@H]2CCC(=O)N2)nc1-c1cccc(Cl)c1 ZINC000019660344 211242995 /nfs/dbraw/zinc/24/29/95/211242995.db2.gz 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ZINC000019564610 211233985 /nfs/dbraw/zinc/23/39/85/211233985.db2.gz WZDZZEWVZKFRDE-UHFFFAOYSA-N 0 0 373.416 3.857 40 0 FHABRN Cc1noc2nc(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)cc(C(F)(F)F)c12 ZINC000019564525 211233742 /nfs/dbraw/zinc/23/37/42/211233742.db2.gz LWOPAZZMHJFVIH-CABZTGNLSA-N 0 0 367.371 3.912 40 0 FHABRN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)Cc2ccccn2)cc1 ZINC000019557545 211232996 /nfs/dbraw/zinc/23/29/96/211232996.db2.gz PTSQYYLFOYPPSL-WKDRNLAYSA-N 0 0 350.462 3.721 40 0 FHABRN Cc1nc(C)c(CC(=O)NCCc2cn(C)c3ccc(Cl)cc23)s1 ZINC000019560510 211232283 /nfs/dbraw/zinc/23/22/83/211232283.db2.gz RXHXOQWIJAJWQQ-UHFFFAOYSA-N 0 0 361.898 3.806 40 0 FHABRN Cc1noc2nc(C3CCN(C(=O)c4cccnc4)CC3)cc(C(F)F)c12 ZINC000019564909 211232234 /nfs/dbraw/zinc/23/22/34/211232234.db2.gz WYAZMZJJVXVNQN-UHFFFAOYSA-N 0 0 372.375 3.884 40 0 FHABRN CCn1c(CNC(=O)c2c(C)nc3ccc(Cl)cn32)nc2ccccc21 ZINC000019524356 211229089 /nfs/dbraw/zinc/22/90/89/211229089.db2.gz PCHFFPWYVCCXOS-UHFFFAOYSA-N 0 0 367.840 3.596 40 0 FHABRN CCc1sc(NC(=O)[C@H](C)n2ccnc2)nc1-c1ccc(OC)cc1 ZINC000019521608 211228758 /nfs/dbraw/zinc/22/87/58/211228758.db2.gz OVNFFCABDSQNGN-LBPRGKRZSA-N 0 0 356.451 3.777 40 0 FHABRN CCc1nc2cc(NC(=O)c3cc(C(F)(F)F)nn3C)ccc2n1CC ZINC000019523219 211228482 /nfs/dbraw/zinc/22/84/82/211228482.db2.gz JVPZPYGWLARCBA-UHFFFAOYSA-N 0 0 365.359 3.623 40 0 FHABRN CCc1cc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)no1 ZINC000019522689 211228629 /nfs/dbraw/zinc/22/86/29/211228629.db2.gz UDDBBHSLBDFQFQ-UHFFFAOYSA-N 0 0 359.407 3.630 40 0 FHABRN CCc1nnsc1C(=O)Nc1nc(-c2ccc3c(c2)CCCO3)cs1 ZINC000019521916 211228011 /nfs/dbraw/zinc/22/80/11/211228011.db2.gz VJTJSHKDBBUVOF-UHFFFAOYSA-N 0 0 372.475 3.801 40 0 FHABRN CCc1nccn1C[C@H](C)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019523532 211227718 /nfs/dbraw/zinc/22/77/18/211227718.db2.gz SSWSSPYAVRPXER-IRXDYDNUSA-N 0 0 373.472 3.538 40 0 FHABRN CCCn1c(C)cc2cc(NC(=O)c3cc(C(C)C)nc(=O)[nH]3)ccc21 ZINC000019525991 211227400 /nfs/dbraw/zinc/22/74/00/211227400.db2.gz PGXSMAZUGQTUAY-UHFFFAOYSA-N 0 0 352.438 3.819 40 0 FHABRN CCCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 ZINC000019501189 211226742 /nfs/dbraw/zinc/22/67/42/211226742.db2.gz ZBHLKQXJVPPCHU-HSZRJFAPSA-N 0 0 364.489 3.790 40 0 FHABRN CCCC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2F)(C(N)=O)C1 ZINC000019501060 211226307 /nfs/dbraw/zinc/22/63/07/211226307.db2.gz BDBMZDFNCZFZIJ-QFIPXVFZSA-N 0 0 368.452 3.539 40 0 FHABRN CCc1noc(CC)c1C(=O)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 ZINC000019521318 211226114 /nfs/dbraw/zinc/22/61/14/211226114.db2.gz OQNRTBBBWUUERS-CYBMUJFWSA-N 0 0 352.438 3.696 40 0 FHABRN CNc1cc(C2CCN(C(=O)C(C)(C)C)CC2)nc(-c2cnc(C)s2)n1 ZINC000019287370 211211941 /nfs/dbraw/zinc/21/19/41/211211941.db2.gz CGNSPPLEXWKXMJ-UHFFFAOYSA-N 0 0 373.526 3.702 40 0 FHABRN Cc1cccc(CC(=O)N2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000019234785 211209752 /nfs/dbraw/zinc/20/97/52/211209752.db2.gz KHRHPRXMKKVKCH-UHFFFAOYSA-N 0 0 365.408 3.993 40 0 FHABRN Cc1nc2nc(C(=O)Nc3c(C)ccc4cccnc43)cc(C(C)(C)C)n2n1 ZINC000019234333 211209232 /nfs/dbraw/zinc/20/92/32/211209232.db2.gz JVGILZLBWFWJGG-UHFFFAOYSA-N 0 0 374.448 3.839 40 0 FHABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C3CC3)cc2N1 ZINC000019451246 211220401 /nfs/dbraw/zinc/22/04/01/211220401.db2.gz YPVHPMMCUFVVCG-NWANDNLSSA-N 0 0 370.419 3.900 40 0 FHABRN O=C(COc1ccccn1)NCCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000019402215 211220479 /nfs/dbraw/zinc/22/04/79/211220479.db2.gz ZQEFPFDCLFVAET-UHFFFAOYSA-N 0 0 373.865 3.596 40 0 FHABRN O=C(c1cc(-c2ccco2)on1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000019342487 211215706 /nfs/dbraw/zinc/21/57/06/211215706.db2.gz ZKFBFANHRNKWEL-AWEZNQCLSA-N 0 0 368.364 3.809 40 0 FHABRN O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019333300 211215529 /nfs/dbraw/zinc/21/55/29/211215529.db2.gz VITIPUAGHVUYAD-IBGZPJMESA-N 0 0 364.424 3.907 40 0 FHABRN Cn1ccnc1[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(F)cc1 ZINC000019291206 211212908 /nfs/dbraw/zinc/21/29/08/211212908.db2.gz WXBGKAAWALLTJY-SFHVURJKSA-N 0 0 366.371 3.699 40 0 FHABRN Cc1csc2c([C@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)nc(C)n12 ZINC000019240514 211212667 /nfs/dbraw/zinc/21/26/67/211212667.db2.gz BVSRNEARQJHAAX-ZDUSSCGKSA-N 0 0 356.451 3.508 40 0 FHABRN Cn1ccnc1-c1nc(NCCc2ccccn2)ncc1-c1cccc(F)c1 ZINC000019291688 211212689 /nfs/dbraw/zinc/21/26/89/211212689.db2.gz ILEXATAGAUOUBA-UHFFFAOYSA-N 0 0 374.423 3.733 40 0 FHABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccccn3)cc2n1 ZINC000019116935 211201672 /nfs/dbraw/zinc/20/16/72/211201672.db2.gz KCAOOIOTMKKPIJ-OAHLLOKOSA-N 0 0 361.371 3.789 40 0 FHABRN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)cc1OC ZINC000019078658 211201543 /nfs/dbraw/zinc/20/15/43/211201543.db2.gz SLFUQDODZQJQNZ-PBHICJAKSA-N 0 0 373.424 3.974 40 0 FHABRN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2cccc(F)c2)c(OC)c1 ZINC000019078713 211201051 /nfs/dbraw/zinc/20/10/51/211201051.db2.gz CVWCEIXFVUOADF-LIRRHRJNSA-N 0 0 373.424 3.974 40 0 FHABRN CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)c2ccncc2)CC1 ZINC000019022255 211199652 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CC(C)CNC(=S)Nc1nc(Cl)cc(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000225893424 535169073 /nfs/dbraw/zinc/16/90/73/535169073.db2.gz GFSZMCPSYLTQTO-VXGBXAGGSA-N 0 0 355.939 3.555 40 0 FHABRN CCOC(=O)C1CCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)CC1 ZINC000072396576 535605100 /nfs/dbraw/zinc/60/51/00/535605100.db2.gz PBYYRFHEGTVTQP-UHFFFAOYSA-N 0 0 367.405 3.776 40 0 FHABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000225015411 536044517 /nfs/dbraw/zinc/04/45/17/536044517.db2.gz OJXYZJKQZMUHND-NRFANRHFSA-N 0 0 368.477 3.936 40 0 FHABRN COc1ccc2[nH]c(C[C@H]3C[N@H+](CC(C)(C)C)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289442 560032703 /nfs/dbraw/zinc/03/27/03/560032703.db2.gz UJTQJCSAEUAEQI-GJZGRUSLSA-N 0 0 373.497 3.573 40 0 biogenic,in-vitro FHABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3cccs3)n2)cn1 ZINC000035426275 560080669 /nfs/dbraw/zinc/08/06/69/560080669.db2.gz MKIWBGXYROHMSJ-HNNXBMFYSA-N 0 0 355.467 3.596 40 0 biogenic,in-vitro FHABRN CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NC1CCCC1 ZINC000005414282 560201852 /nfs/dbraw/zinc/20/18/52/560201852.db2.gz VLMYMRGKNFIQKE-RDJZCZTQSA-N 0 0 360.473 3.763 40 0 biogenic,in-vitro FHABRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)N(Cc1ccccc1)c1ccccn1)OC2=O ZINC000006661117 567993838 /nfs/dbraw/zinc/99/38/38/567993838.db2.gz UWXBAVGGXXDSEK-FCHUYYIVSA-N 0 0 364.445 3.737 40 0 FHABRN Cc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 ZINC000216343974 568118902 /nfs/dbraw/zinc/11/89/02/568118902.db2.gz URQDYQVTQCFGLC-MRXNPFEDSA-N 0 0 351.475 3.978 40 0 FHABRN Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(C)c1 ZINC000216404586 568122016 /nfs/dbraw/zinc/12/20/16/568122016.db2.gz XWHGWIPSETWQEX-UHFFFAOYSA-N 0 0 352.843 3.581 40 0 FHABRN CC(C)C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1 ZINC000216436081 568123326 /nfs/dbraw/zinc/12/33/26/568123326.db2.gz KAWFGRGGZRXIGP-SFHVURJKSA-N 0 0 374.506 3.600 40 0 FHABRN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000055344429 568276765 /nfs/dbraw/zinc/27/67/65/568276765.db2.gz ATEPFLRELWLRMK-SFHVURJKSA-N 0 0 372.468 3.640 40 0 FHABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c1C ZINC000219497361 568280658 /nfs/dbraw/zinc/28/06/58/568280658.db2.gz BRURSKIHKPKWSB-CQSZACIVSA-N 0 0 357.406 3.586 40 0 FHABRN CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccccc2)no1 ZINC000219299955 568286340 /nfs/dbraw/zinc/28/63/40/568286340.db2.gz FZOCXSFOXZVOEL-HNNXBMFYSA-N 0 0 365.433 3.944 40 0 FHABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(OC)cc1 ZINC000219558026 568287721 /nfs/dbraw/zinc/28/77/21/568287721.db2.gz DYRCQKUUWHAIOD-SFHVURJKSA-N 0 0 357.450 3.610 40 0 FHABRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(C)c3C)n2)cc1 ZINC000219311265 568287894 /nfs/dbraw/zinc/28/78/94/568287894.db2.gz XHJUFSLDDQVTKR-INIZCTEOSA-N 0 0 365.433 3.746 40 0 FHABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2cccs2)no1 ZINC000219334108 568290641 /nfs/dbraw/zinc/29/06/41/568290641.db2.gz JQSPHFVFMKMAQS-HNNXBMFYSA-N 0 0 371.462 3.889 40 0 FHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 ZINC000219358333 568293017 /nfs/dbraw/zinc/29/30/17/568293017.db2.gz 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MLIXTZHJAKINFY-KRWDZBQOSA-N 0 0 372.509 3.829 40 0 FHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C ZINC000222975862 568584490 /nfs/dbraw/zinc/58/44/90/568584490.db2.gz LRQAHYQJRXQNQR-KRWDZBQOSA-N 0 0 370.468 3.538 40 0 FHABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 ZINC000222993828 568587685 /nfs/dbraw/zinc/58/76/85/568587685.db2.gz XJLVQFPREUNPHB-KRWDZBQOSA-N 0 0 370.468 3.702 40 0 FHABRN C[C@@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C)c1ccc(F)cc1 ZINC000223097906 568610187 /nfs/dbraw/zinc/61/01/87/568610187.db2.gz ICFFKGVBDPEMFZ-QWHCGFSZSA-N 0 0 350.393 3.749 40 0 FHABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1Cl ZINC000223185424 568623379 /nfs/dbraw/zinc/62/33/79/568623379.db2.gz JVDQYPBDNIBZCH-LBPRGKRZSA-N 0 0 365.882 3.877 40 0 FHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223223175 568627276 /nfs/dbraw/zinc/62/72/76/568627276.db2.gz HFDNIYHXHBPPAE-FQEVSTJZSA-N 0 0 370.468 3.620 40 0 FHABRN CC(C)CSc1nnc(NC(=O)COc2cccc(Cl)c2)s1 ZINC000223235345 568628844 /nfs/dbraw/zinc/62/88/44/568628844.db2.gz NJWAYSKUJHPCPE-UHFFFAOYSA-N 0 0 357.888 3.957 40 0 FHABRN Cc1ccccc1O[C@@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223355408 568644569 /nfs/dbraw/zinc/64/45/69/568644569.db2.gz JJMRKEQYAITHAN-SFHVURJKSA-N 0 0 353.462 3.627 40 0 FHABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2c(C)noc2C)cc1C(C)C ZINC000223382573 568648458 /nfs/dbraw/zinc/64/84/58/568648458.db2.gz KMTYLMZDBXDUBD-LBPRGKRZSA-N 0 0 366.483 3.771 40 0 FHABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O ZINC000223403336 568650929 /nfs/dbraw/zinc/65/09/29/568650929.db2.gz SUZQOTBTJKYQBK-IBGZPJMESA-N 0 0 358.869 3.956 40 0 FHABRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223440163 568655447 /nfs/dbraw/zinc/65/54/47/568655447.db2.gz ABZPUJCJGBJMHQ-INIZCTEOSA-N 0 0 374.506 3.864 40 0 FHABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1Cc1cccnc1 ZINC000223447811 568656266 /nfs/dbraw/zinc/65/62/66/568656266.db2.gz MGQGQKHZDNAGBW-SJORKVTESA-N 0 0 352.488 3.711 40 0 FHABRN 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ZINC000019703669 220286363 /nfs/dbraw/zinc/28/63/63/220286363.db2.gz YXRFRZWUCQRZAG-NRFANRHFSA-N 0 0 366.440 3.902 40 0 FHABRN CC(C)(C)c1csc(CCNC(=O)CC[C@@H]2C(=O)Nc3ccccc32)n1 ZINC000019714363 220288082 /nfs/dbraw/zinc/28/80/82/220288082.db2.gz XBPLWJJMUVNSJQ-AWEZNQCLSA-N 0 0 371.506 3.615 40 0 FHABRN CC(C)NC(=O)c1cccnc1[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000019709397 220288210 /nfs/dbraw/zinc/28/82/10/220288210.db2.gz DWYOGPCRROAVAI-GOSISDBHSA-N 0 0 371.525 3.896 40 0 FHABRN COc1cccc([C@@H]2CCCN2C(=O)c2cccc3c(=O)cc(C)[nH]c23)c1 ZINC000019719148 220290277 /nfs/dbraw/zinc/29/02/77/220290277.db2.gz CCAYUBWEVCOFOL-IBGZPJMESA-N 0 0 362.429 3.822 40 0 FHABRN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)c12 ZINC000019716315 220290751 /nfs/dbraw/zinc/29/07/51/220290751.db2.gz QXFVXRXMPNWSHP-INIZCTEOSA-N 0 0 364.449 3.617 40 0 FHABRN c1csc([C@@H](c2nnnn2Cc2ccccc2)N2CCCCCC2)c1 ZINC000020098573 220312313 /nfs/dbraw/zinc/31/23/13/220312313.db2.gz BRCSNNGUGSOQSM-SFHVURJKSA-N 0 0 353.495 3.748 40 0 FHABRN Cc1nccn1-c1ccccc1CNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020111034 220313719 /nfs/dbraw/zinc/31/37/19/220313719.db2.gz PONHQZSPSUSOIG-UHFFFAOYSA-N 0 0 369.490 3.584 40 0 FHABRN COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000020050849 220310289 /nfs/dbraw/zinc/31/02/89/220310289.db2.gz HRQOBKNSHPAWFK-KADHNRKRSA-N 0 0 371.433 3.612 40 0 FHABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000020049837 220310839 /nfs/dbraw/zinc/31/08/39/220310839.db2.gz VPTGONRTJBIYTP-CABCVRRESA-N 0 0 370.449 3.630 40 0 FHABRN C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)C1 ZINC000020050031 220311002 /nfs/dbraw/zinc/31/10/02/220311002.db2.gz HCUWIBKDYSTKNT-OAHLLOKOSA-N 0 0 352.434 3.869 40 0 FHABRN Cc1c(Cl)cc2c(oc(=S)n2[C@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1Cl ZINC000020295416 220320513 /nfs/dbraw/zinc/32/05/13/220320513.db2.gz RBPUDUPCQGACEW-TXMMPKFLSA-N 0 0 360.218 3.834 40 0 FHABRN Cc1ccc(Cn2ccc(NC(=O)c3noc4c3C[C@H](C)CC4)n2)cc1 ZINC000020367464 220323694 /nfs/dbraw/zinc/32/36/94/220323694.db2.gz GLAJRUOJDSJLPN-CQSZACIVSA-N 0 0 350.422 3.605 40 0 FHABRN Nc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCOCC1 ZINC000020506703 220331986 /nfs/dbraw/zinc/33/19/86/220331986.db2.gz JWULVNPALNKMKT-UHFFFAOYSA-N 0 0 353.853 3.970 40 0 FHABRN CCc1ccc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 ZINC000020609576 220336384 /nfs/dbraw/zinc/33/63/84/220336384.db2.gz NLJPCYRXYPOGDP-UHFFFAOYSA-N 0 0 363.446 3.976 40 0 FHABRN C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@H]21 ZINC000020466880 220327500 /nfs/dbraw/zinc/32/75/00/220327500.db2.gz ZOCHGIAZUVKRRV-NARJSYQGSA-N 0 0 369.505 3.738 40 0 biogenic,in-vitro FHABRN CCOC(=O)c1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)cc1 ZINC000020496075 220329506 /nfs/dbraw/zinc/32/95/06/220329506.db2.gz RGWFXCPMZIFMDN-UHFFFAOYSA-N 0 0 371.780 3.819 40 0 FHABRN Cc1[nH]c2ccccc2c1C(=O)Cn1c2nc3ccccc3n2c(=O)cc1C ZINC000020634993 220337577 /nfs/dbraw/zinc/33/75/77/220337577.db2.gz FKZVVZGZMFEPOH-UHFFFAOYSA-N 0 0 370.412 3.630 40 0 FHABRN CCn1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000022234540 220379547 /nfs/dbraw/zinc/37/95/47/220379547.db2.gz RFAAVEIJXPCUQU-CQSZACIVSA-N 0 0 350.418 3.521 40 0 FHABRN CSc1cccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)c1 ZINC000022235351 220380049 /nfs/dbraw/zinc/38/00/49/220380049.db2.gz YJWIRVDBURQXFD-UHFFFAOYSA-N 0 0 350.443 3.922 40 0 FHABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000022245923 220380134 /nfs/dbraw/zinc/38/01/34/220380134.db2.gz FCNYGTVXNKDMIR-UHFFFAOYSA-N 0 0 370.409 3.685 40 0 FHABRN COc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(C)cc2)c1 ZINC000022511643 220388695 /nfs/dbraw/zinc/38/86/95/220388695.db2.gz LPZUOSXPFIHYOS-INIZCTEOSA-N 0 0 359.491 3.821 40 0 FHABRN COc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 ZINC000022533093 220389569 /nfs/dbraw/zinc/38/95/69/220389569.db2.gz NDKBRCIVFBLKOG-HXUWFJFHSA-N 0 0 357.450 3.986 40 0 FHABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2cccc(OC)c2)c1 ZINC000022526677 220390185 /nfs/dbraw/zinc/39/01/85/220390185.db2.gz YFXRRASEALFBSW-IBGZPJMESA-N 0 0 371.433 3.976 40 0 FHABRN O=C(NCc1ccc(F)cc1)N1CCC(c2nnc(C3CC3)s2)CC1 ZINC000023140945 220415443 /nfs/dbraw/zinc/41/54/43/220415443.db2.gz BDJJQZRJPASMIA-UHFFFAOYSA-N 0 0 360.458 3.644 40 0 FHABRN Cc1sc2nc(SCC(=O)Nc3ccccc3F)nc(N)c2c1C ZINC000035313311 220777746 /nfs/dbraw/zinc/77/77/46/220777746.db2.gz BRYAIKVRSDSNCF-UHFFFAOYSA-N 0 0 362.455 3.760 40 0 FHABRN C[C@@H](CC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1)n1cccn1 ZINC000036752648 220829804 /nfs/dbraw/zinc/82/98/04/220829804.db2.gz KWMOITJDDLUWOO-NSHDSACASA-N 0 0 361.858 3.569 40 0 FHABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1 ZINC000038755825 220855706 /nfs/dbraw/zinc/85/57/06/220855706.db2.gz OGADQGKQQPWVES-NSHDSACASA-N 0 0 350.212 3.864 40 0 FHABRN O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000038899669 220861418 /nfs/dbraw/zinc/86/14/18/220861418.db2.gz ORXSHCONHWSIJC-CYBMUJFWSA-N 0 0 357.410 3.957 40 0 FHABRN CCN(CC)C(=O)c1ccccc1NC(=O)CCCOc1ccccc1 ZINC000042645585 220940654 /nfs/dbraw/zinc/94/06/54/220940654.db2.gz ZGLCUWCGAPDJCH-UHFFFAOYSA-N 0 0 354.450 3.966 40 0 FHABRN COc1ccc(SCC(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000044848624 220962111 /nfs/dbraw/zinc/96/21/11/220962111.db2.gz DAPAZRUGMHMMAA-QGZVFWFLSA-N 0 0 357.475 3.990 40 0 FHABRN Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 ZINC000044850328 220962643 /nfs/dbraw/zinc/96/26/43/220962643.db2.gz DNZHWFSKWHUAAU-UHFFFAOYSA-N 0 0 373.456 3.810 40 0 FHABRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2)c(OC)c1OC ZINC000044903253 220963585 /nfs/dbraw/zinc/96/35/85/220963585.db2.gz OQJVKTJZZKFJQQ-HFBDAHEESA-N 0 0 355.434 3.911 40 0 FHABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000044947464 220964200 /nfs/dbraw/zinc/96/42/00/220964200.db2.gz XTCSRQAQWMPEOQ-SFHVURJKSA-N 0 0 352.434 3.918 40 0 FHABRN COc1ccc(-c2nc(N)cc(Nc3cccc(C(C)=O)c3)n2)cc1OC ZINC000049468208 221022987 /nfs/dbraw/zinc/02/29/87/221022987.db2.gz MIOFBHYWUSQYKY-UHFFFAOYSA-N 0 0 364.405 3.689 40 0 FHABRN COc1ccc(-c2nnc([C@H]3CCN(C(=O)c4ccc(F)cc4)C3)o2)cc1 ZINC000049170911 221020603 /nfs/dbraw/zinc/02/06/03/221020603.db2.gz CSMMKBFPQAKAFE-HNNXBMFYSA-N 0 0 367.380 3.514 40 0 biogenic,in-vitro FHABRN Cc1c(C)c2c(cc1Br)C(=O)[C@H](N1CCC[C@H](C)C1)CO2 ZINC000055125460 221060350 /nfs/dbraw/zinc/06/03/50/221060350.db2.gz JIVMRPJEBPXDAA-ZUZCIYMTSA-N 0 0 352.272 3.742 40 0 FHABRN Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2C)cc1Cl ZINC000054363161 221052753 /nfs/dbraw/zinc/05/27/53/221052753.db2.gz MEQALOPYKNEAPJ-SNVBAGLBSA-N 0 0 366.708 3.974 40 0 FHABRN O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc2ccccc21 ZINC000054670581 221055317 /nfs/dbraw/zinc/05/53/17/221055317.db2.gz JFUVINLSRAKNOG-OAQYLSRUSA-N 0 0 374.440 3.596 40 0 FHABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000057707663 221093111 /nfs/dbraw/zinc/09/31/11/221093111.db2.gz AYZUFSLWBHFIAK-MRXNPFEDSA-N 0 0 350.462 3.862 40 0 FHABRN CC(C)(C)C(=O)Cn1c(=O)nnc(-c2ccsc2)c1-c1ccsc1 ZINC000057773490 221093320 /nfs/dbraw/zinc/09/33/20/221093320.db2.gz BQKPDFUBBOEYKU-UHFFFAOYSA-N 0 0 359.476 3.711 40 0 FHABRN COc1ccc(-c2cnc(CCC(=O)NCCc3ccccc3)o2)cc1 ZINC000063887700 221144571 /nfs/dbraw/zinc/14/45/71/221144571.db2.gz GANCXWIEGHABDF-UHFFFAOYSA-N 0 0 350.418 3.642 40 0 FHABRN Fc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)c(F)c1 ZINC000065705215 221236328 /nfs/dbraw/zinc/23/63/28/221236328.db2.gz FCZVGDSZIHTCMX-UHFFFAOYSA-N 0 0 352.391 3.563 40 0 FHABRN Fc1ccc(Cn2nc(Br)nc2Br)c(Cl)c1 ZINC000067799191 221287099 /nfs/dbraw/zinc/28/70/99/221287099.db2.gz MYYPBGZLZZRNQD-UHFFFAOYSA-N 0 0 369.419 3.644 40 0 FHABRN Oc1cccc(-c2cc(CC3(NCc4ccccc4Cl)COC3)no2)c1 ZINC000067898298 221303072 /nfs/dbraw/zinc/30/30/72/221303072.db2.gz SNCUHXRXWJTPQS-UHFFFAOYSA-N 0 0 370.836 3.802 40 0 biogenic,in-vitro FHABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(CN2CCOCC2)c1 ZINC000068368472 221315444 /nfs/dbraw/zinc/31/54/44/221315444.db2.gz YNRDNVNFJNUIGO-UHFFFAOYSA-N 0 0 364.367 3.790 40 0 FHABRN Cc1cc2nc(-c3ccc(I)cc3)oc2c(N)c1 ZINC000070461429 221332930 /nfs/dbraw/zinc/33/29/30/221332930.db2.gz SEVFFNZZEWOXHQ-UHFFFAOYSA-N 0 0 350.159 3.990 40 0 FHABRN CSc1nc(Cl)cc(OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000072203149 221452087 /nfs/dbraw/zinc/45/20/87/221452087.db2.gz BIWPMBZSRQXUHR-NSHDSACASA-N 0 0 373.906 3.878 40 0 FHABRN CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000072203979 221452409 /nfs/dbraw/zinc/45/24/09/221452409.db2.gz GRQGZWDMDLUAPY-UHFFFAOYSA-N 0 0 373.902 3.761 40 0 FHABRN Cc1cccc(NC(=O)c2nc3c(s2)CCCN3c2ccc(C)nn2)c1 ZINC000096037461 132217049 /nfs/dbraw/zinc/21/70/49/132217049.db2.gz QDEIQWYYEUFHPP-UHFFFAOYSA-N 0 0 365.462 3.887 40 0 FHABRN O=C(NCc1ccncc1)c1nc2c(s1)CCCN2c1ccccc1 ZINC000096146849 132220444 /nfs/dbraw/zinc/22/04/44/132220444.db2.gz DXBIMBWSRLFACZ-UHFFFAOYSA-N 0 0 350.447 3.552 40 0 FHABRN CCc1ccc(O[C@@H](CC)C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000113969008 132247178 /nfs/dbraw/zinc/24/71/78/132247178.db2.gz OCVMEUHQTVUGOZ-NRFANRHFSA-N 0 0 352.478 3.755 40 0 FHABRN 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Cc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cncn4)c3)no2)cc1 ZINC000019715043 220288153 /nfs/dbraw/zinc/28/81/53/220288153.db2.gz WUOXCYIUJKAWLW-UHFFFAOYSA-N 0 0 359.389 3.542 40 0 FHABRN COc1cccc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)c1 ZINC000019716861 220290065 /nfs/dbraw/zinc/29/00/65/220290065.db2.gz ZPAJZVQOAKGGPD-QGZVFWFLSA-N 0 0 355.825 3.974 40 0 FHABRN CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1nn(CC)c(=O)c2ccccc21 ZINC000019717039 220290434 /nfs/dbraw/zinc/29/04/34/220290434.db2.gz WLMCTBZXABAVCR-GOSISDBHSA-N 0 0 367.424 3.779 40 0 FHABRN CCn1ncc(-c2cc(C(=O)NCC(C)(C)c3ccccc3F)on2)c1C ZINC000019719079 220290441 /nfs/dbraw/zinc/29/04/41/220290441.db2.gz NLKBPWBMHRZVQA-UHFFFAOYSA-N 0 0 370.428 3.713 40 0 FHABRN CN(C)[C@H](C(=O)NCc1ccccc1N1CCCC1)c1ccc(Cl)cc1 ZINC000019716703 220290625 /nfs/dbraw/zinc/29/06/25/220290625.db2.gz ZYODGASMWWJPKH-FQEVSTJZSA-N 0 0 371.912 3.859 40 0 FHABRN Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCc1nc2ccccc2[nH]1 ZINC000019717838 220290715 /nfs/dbraw/zinc/29/07/15/220290715.db2.gz KDFXIRXVBAHWBD-UHFFFAOYSA-N 0 0 363.396 3.674 40 0 FHABRN CNc1cccc([C@@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1 ZINC000257234334 533065936 /nfs/dbraw/zinc/06/59/36/533065936.db2.gz GTAPVQQFMQKTCG-HNNXBMFYSA-N 0 0 353.447 3.552 40 0 FHABRN Cc1nn2c(ncc3c2ccn(-c2ccncc2)c3=O)c1-c1ccc(F)cc1 ZINC000019821351 220301874 /nfs/dbraw/zinc/30/18/74/220301874.db2.gz XTRQXZWJNHBJBY-UHFFFAOYSA-N 0 0 371.375 3.543 40 0 FHABRN Cc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000019946244 220306036 /nfs/dbraw/zinc/30/60/36/220306036.db2.gz STLHSZPNGKENJS-UHFFFAOYSA-N 0 0 368.458 3.553 40 0 FHABRN CNc1cncc([C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)n1 ZINC000257226966 533072938 /nfs/dbraw/zinc/07/29/38/533072938.db2.gz FNAMJDOXWLOAFD-INIZCTEOSA-N 0 0 355.442 3.531 40 0 FHABRN COc1cc(OC)cc(C(=O)N[C@H](C)c2cccc(Br)c2)c1 ZINC000020025282 220308860 /nfs/dbraw/zinc/30/88/60/220308860.db2.gz COJHAZWASCVEBU-LLVKDONJSA-N 0 0 364.239 3.957 40 0 FHABRN CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccccc1OC ZINC000020029960 220310788 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COCc1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccc(Cl)cc1 ZINC000020638497 220338047 /nfs/dbraw/zinc/33/80/47/220338047.db2.gz RXYSDQHAJZCMBY-UHFFFAOYSA-N 0 0 365.824 3.840 40 0 FHABRN COc1ccccc1CNC(=O)c1cccnc1NCCc1ccccc1 ZINC000022073036 220375298 /nfs/dbraw/zinc/37/52/98/220375298.db2.gz JLWQIZYGRGIZBV-UHFFFAOYSA-N 0 0 361.445 3.675 40 0 FHABRN O[C@@](/C=C/c1ccc(Br)cc1)(Cn1ccnc1)c1ccccn1 ZINC000022115067 220376870 /nfs/dbraw/zinc/37/68/70/220376870.db2.gz HWVCWHYWRZUVID-BLGFXRMMSA-N 0 0 370.250 3.642 40 0 FHABRN CCn1cc(C(=O)Nc2c(F)cccc2F)c(=O)c2cc(OC)ccc21 ZINC000022235800 220380170 /nfs/dbraw/zinc/38/01/70/220380170.db2.gz VOQWYOOATHGQEN-UHFFFAOYSA-N 0 0 358.344 3.561 40 0 FHABRN C[C@H](NC(=O)c1cnc2ccccc2c1O)c1ccc(Br)cc1 ZINC000022234039 220380236 /nfs/dbraw/zinc/38/02/36/220380236.db2.gz NBUCMGVUROEPMN-NSHDSACASA-N 0 0 371.234 3.782 40 0 FHABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000022519895 220389645 /nfs/dbraw/zinc/38/96/45/220389645.db2.gz CYXQMUHVLDTMGP-IBGZPJMESA-N 0 0 363.479 3.770 40 0 FHABRN Cc1nc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)co1 ZINC000022538326 220389856 /nfs/dbraw/zinc/38/98/56/220389856.db2.gz HHEYEJJTHVWACA-UHFFFAOYSA-N 0 0 361.445 3.530 40 0 FHABRN CCOc1ccc(CCC(=O)NCCOc2ccc(C)cc2)cc1OCC ZINC000022526048 220390160 /nfs/dbraw/zinc/39/01/60/220390160.db2.gz QOUHZGAJBISZKE-UHFFFAOYSA-N 0 0 371.477 3.920 40 0 FHABRN COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1F ZINC000027316207 220531349 /nfs/dbraw/zinc/53/13/49/220531349.db2.gz IMUAOYSUGLJCMP-UHFFFAOYSA-N 0 0 368.364 3.610 40 0 FHABRN CCS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000029605834 220608965 /nfs/dbraw/zinc/60/89/65/220608965.db2.gz FFDAEHDTKHTHKL-UHFFFAOYSA-N 0 0 352.843 3.662 40 0 FHABRN COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CC[C@@H](O)CCCC2 ZINC000031166843 220635547 /nfs/dbraw/zinc/63/55/47/220635547.db2.gz UTKZLHKWTSXNQI-HNNXBMFYSA-N 0 0 358.434 3.802 40 0 biogenic,in-vitro FHABRN COc1cccc2cc(C(=O)N(C)Cc3ccc(OC)c(OC)c3)oc21 ZINC000030855390 220627294 /nfs/dbraw/zinc/62/72/94/220627294.db2.gz XGFXNIHTIJHSEZ-UHFFFAOYSA-N 0 0 355.390 3.731 40 0 FHABRN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1F ZINC000032591091 220666223 /nfs/dbraw/zinc/66/62/23/220666223.db2.gz MNACMNISCFJRGR-UHFFFAOYSA-N 0 0 365.426 3.957 40 0 FHABRN CCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000039747501 220865768 /nfs/dbraw/zinc/86/57/68/220865768.db2.gz MFWWIWAUOKPFDU-UHFFFAOYSA-N 0 0 352.419 3.806 40 0 FHABRN O=C(COc1ccccc1Cl)NCC1(c2ccccc2)CCOCC1 ZINC000042645626 220940897 /nfs/dbraw/zinc/94/08/97/220940897.db2.gz GYNMRLWCLFPIHU-UHFFFAOYSA-N 0 0 359.853 3.583 40 0 FHABRN COC(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1C ZINC000044625192 220958595 /nfs/dbraw/zinc/95/85/95/220958595.db2.gz GOILJFJMHFLROR-UHFFFAOYSA-N 0 0 367.323 3.818 40 0 FHABRN CC[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1 ZINC000044935878 220964899 /nfs/dbraw/zinc/96/48/99/220964899.db2.gz RJTDTPLJGMLMCL-OAQYLSRUSA-N 0 0 352.478 3.708 40 0 FHABRN Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000048442039 221013005 /nfs/dbraw/zinc/01/30/05/221013005.db2.gz RITDKWHCVPPHGJ-UHFFFAOYSA-N 0 0 354.269 3.891 40 0 FHABRN Cc1cccc(N(C)S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000048655938 221014644 /nfs/dbraw/zinc/01/46/44/221014644.db2.gz UCGDUHNEWUDUCR-UHFFFAOYSA-N 0 0 354.269 3.891 40 0 FHABRN CCOc1ccccc1Nc1cc(N)nc(-c2ccc(OC)c(OC)c2)n1 ZINC000049468216 221023421 /nfs/dbraw/zinc/02/34/21/221023421.db2.gz CEIPODOTLAXPMJ-UHFFFAOYSA-N 0 0 366.421 3.885 40 0 FHABRN CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000048959529 221015977 /nfs/dbraw/zinc/01/59/77/221015977.db2.gz WCWSPPCUVGULAY-UHFFFAOYSA-N 0 0 362.195 3.552 40 0 FHABRN O=S(=O)(c1cc(Cl)c(Br)cc1Cl)N1CCCCC1 ZINC000054363461 221053314 /nfs/dbraw/zinc/05/33/14/221053314.db2.gz XGTJLYJTGXMFRV-UHFFFAOYSA-N 0 0 373.099 3.931 40 0 FHABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc32)cc1 ZINC000056100767 221077680 /nfs/dbraw/zinc/07/76/80/221077680.db2.gz BRHPMWMHOBVIPR-UHFFFAOYSA-N 0 0 368.458 3.619 40 0 FHABRN Cc1ccccc1OC[C@@H](C)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000056324987 221080475 /nfs/dbraw/zinc/08/04/75/221080475.db2.gz SVQYCXRHUBZTIY-GOSISDBHSA-N 0 0 353.462 3.627 40 0 FHABRN O=C(NCCN(Cc1ccsc1)Cc1ccccn1)c1cccs1 ZINC000057797306 221093945 /nfs/dbraw/zinc/09/39/45/221093945.db2.gz BVDKRUSVQCEPRV-UHFFFAOYSA-N 0 0 357.504 3.637 40 0 FHABRN CS(=O)(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000061341692 221133322 /nfs/dbraw/zinc/13/33/22/221133322.db2.gz CSIOTJSEFSQYPU-UHFFFAOYSA-N 0 0 359.234 3.617 40 0 FHABRN COc1ccc(CCCNC(=O)CSCc2ccc(C)cc2)cc1OC ZINC000065087087 221168862 /nfs/dbraw/zinc/16/88/62/221168862.db2.gz BPOQHQPGLFVBTP-UHFFFAOYSA-N 0 0 373.518 3.994 40 0 FHABRN CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C ZINC000067890283 221301187 /nfs/dbraw/zinc/30/11/87/221301187.db2.gz XSMDLBRWCPOVKY-BEFAXECRSA-N 0 0 356.466 3.983 40 0 biogenic,in-vitro FHABRN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000071257650 221336902 /nfs/dbraw/zinc/33/69/02/221336902.db2.gz FFWPJYPUVWCKBS-LLVKDONJSA-N 0 0 367.247 3.792 40 0 FHABRN Cc1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1C ZINC000071834841 221381558 /nfs/dbraw/zinc/38/15/58/221381558.db2.gz ZBQQUJHMSOKOPZ-UHFFFAOYSA-N 0 0 353.462 3.547 40 0 FHABRN c1coc(-c2nc(NCCCc3ccccn3)ncc2-c2cnccn2)c1 ZINC000072340312 221472227 /nfs/dbraw/zinc/47/22/27/221472227.db2.gz ROMSPFDJXCZPFB-UHFFFAOYSA-N 0 0 358.405 3.633 40 0 FHABRN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)c1 ZINC000072349194 221474409 /nfs/dbraw/zinc/47/44/09/221474409.db2.gz RRVDRBKUHACZCN-QGZVFWFLSA-N 0 0 374.444 3.567 40 0 FHABRN Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)C(C)(C)O)C3)c2)c1 ZINC000072354144 221478060 /nfs/dbraw/zinc/47/80/60/221478060.db2.gz PBCGKLKWRNWTHG-HXUWFJFHSA-N 0 0 366.505 3.766 40 0 FHABRN Cc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)s1 ZINC000072390487 221491461 /nfs/dbraw/zinc/49/14/61/221491461.db2.gz YJFICZALYRDSQV-UHFFFAOYSA-N 0 0 354.479 3.585 40 0 FHABRN COc1cccc(CC(=O)N2C[C@@H]3CC[C@H](Oc4cccc(F)c4)[C@@H]3C2)c1 ZINC000257204376 533444250 /nfs/dbraw/zinc/44/42/50/533444250.db2.gz AUGVLMGEUYOBIO-DQLDELGASA-N 0 0 369.436 3.693 40 0 FHABRN COc1cccc(Cc2cnc([C@@H]3CCN(C(=O)c4ccccc4)C3)o2)c1 ZINC000257215129 533550224 /nfs/dbraw/zinc/55/02/24/533550224.db2.gz COVOSWPIFZBPBZ-GOSISDBHSA-N 0 0 362.429 3.904 40 0 FHABRN CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000113969010 132247116 /nfs/dbraw/zinc/24/71/16/132247116.db2.gz OCVMEUHQTVUGOZ-OAQYLSRUSA-N 0 0 352.478 3.755 40 0 FHABRN Cc1ccccc1O[C@H](C)C(=O)NCCCN1CCCc2ccccc21 ZINC000219291070 132273893 /nfs/dbraw/zinc/27/38/93/132273893.db2.gz AQJPICXIGPUHGV-GOSISDBHSA-N 0 0 352.478 3.721 40 0 FHABRN COc1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c(OC)c1 ZINC000219849872 132274730 /nfs/dbraw/zinc/27/47/30/132274730.db2.gz ZRFPBUQNPDOHSI-UHFFFAOYSA-N 0 0 354.450 3.867 40 0 FHABRN Cc1cccc(N2CCN(C(=O)Cc3ccc(Cl)cc3F)CC2)c1C ZINC000223030717 132278392 /nfs/dbraw/zinc/27/83/92/132278392.db2.gz DQRPKXOSUAKYAE-UHFFFAOYSA-N 0 0 360.860 3.987 40 0 FHABRN C[C@@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NC(C)(C)C)n2)C1 ZINC000225896776 132287461 /nfs/dbraw/zinc/28/74/61/132287461.db2.gz AUGZRGOYQREUMK-PHIMTYICSA-N 0 0 355.939 3.697 40 0 FHABRN C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NC(C)(C)C)n2)C1 ZINC000225896795 132287509 /nfs/dbraw/zinc/28/75/09/132287509.db2.gz AUGZRGOYQREUMK-QWRGUYRKSA-N 0 0 355.939 3.697 40 0 FHABRN Nc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000020154067 132374465 /nfs/dbraw/zinc/37/44/65/132374465.db2.gz UDLXBMCKSMGSHT-UHFFFAOYSA-N 0 0 366.248 3.665 40 0 FHABRN c1c(-c2ccccc2)c2c(ncnc2N2CCOCC2)n1-c1ccccc1 ZINC000001447538 132382012 /nfs/dbraw/zinc/38/20/12/132382012.db2.gz FEPQUNICZMPNCH-UHFFFAOYSA-N 0 0 356.429 3.924 40 0 FHABRN S=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2Cl)CC1 ZINC000001730963 132382395 /nfs/dbraw/zinc/38/23/95/132382395.db2.gz ZEBHXGKYGURGKL-UHFFFAOYSA-N 0 0 360.866 3.566 40 0 FHABRN Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCC2)c1 ZINC000004754216 132824500 /nfs/dbraw/zinc/82/45/00/132824500.db2.gz AYZCZYNLSWJAHH-UHFFFAOYSA-N 0 0 363.505 3.964 40 0 FHABRN O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(N2CCCCC2)cc1 ZINC000010165654 132848198 /nfs/dbraw/zinc/84/81/98/132848198.db2.gz UCFYUQJRIZXRAP-UHFFFAOYSA-N 0 0 352.434 3.977 40 0 FHABRN COc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000022516659 132905534 /nfs/dbraw/zinc/90/55/34/132905534.db2.gz HKKIFRKEKTZHHC-UHFFFAOYSA-N 0 0 354.450 3.624 40 0 FHABRN Cc1cccc(N2CCN([C@H](c3nnnn3C(C)(C)C)C(C)C)CC2)c1C ZINC000057669695 136129760 /nfs/dbraw/zinc/12/97/60/136129760.db2.gz OXMUYDMVFVWFMZ-IBGZPJMESA-N 0 0 370.545 3.564 40 0 FHABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccc(F)cc2)CC1 ZINC000057669870 136129890 /nfs/dbraw/zinc/12/98/90/136129890.db2.gz ZUUNIVVVGZTWAM-SFHVURJKSA-N 0 0 374.508 3.621 40 0 FHABRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc(Br)n2)C1 ZINC000072203632 136143834 /nfs/dbraw/zinc/14/38/34/136143834.db2.gz ZWTKROMSKPIPCC-GFCCVEGCSA-N 0 0 370.291 3.680 40 0 FHABRN Nc1cc(Cl)c(NC(=O)c2cccc(Cl)c2)cc1N1CCOCC1 ZINC000072229301 136143984 /nfs/dbraw/zinc/14/39/84/136143984.db2.gz ICKCIRMWBXPSTR-UHFFFAOYSA-N 0 0 366.248 3.665 40 0 FHABRN O=C(CC1=CCCCC1)N1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096106742 222024854 /nfs/dbraw/zinc/02/48/54/222024854.db2.gz QEMNEWOBNRIDBL-LJQANCHMSA-N 0 0 356.466 3.501 40 0 FHABRN COc1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)cc1 ZINC000096112087 222029931 /nfs/dbraw/zinc/02/99/31/222029931.db2.gz CTSMAVLYJNXCMS-APWZRJJASA-N 0 0 356.397 3.576 40 0 biogenic,in-vitro FHABRN COCCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1CCOC ZINC000096037323 221994320 /nfs/dbraw/zinc/99/43/20/221994320.db2.gz KSHMSILJGCQZBS-UHFFFAOYSA-N 0 0 371.481 3.590 40 0 FHABRN Cc1nc(CN2CCc3c(COCc4ccncc4)cncc3C2)cs1 ZINC000096059329 222006594 /nfs/dbraw/zinc/00/65/94/222006594.db2.gz YFTKLXTUZBKQHS-UHFFFAOYSA-N 0 0 366.490 3.517 40 0 FHABRN Cc1ccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1 ZINC000096075105 222012186 /nfs/dbraw/zinc/01/21/86/222012186.db2.gz NIOOTVKADULZQV-FXAWDEMLSA-N 0 0 369.490 3.617 40 0 FHABRN Cc1cccc(NC(=O)N2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC000096238683 222094067 /nfs/dbraw/zinc/09/40/67/222094067.db2.gz JZWJQGJYJQXPHX-NRFANRHFSA-N 0 0 367.424 3.795 40 0 FHABRN Cc1cccc(NC(=O)N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC000096239240 222094366 /nfs/dbraw/zinc/09/43/66/222094366.db2.gz MAPDLFIQJAUOMM-LJQANCHMSA-N 0 0 355.463 3.717 40 0 FHABRN Cc1nc(-c2noc3ccc(C(=O)NCc4ccncc4)cc32)cs1 ZINC000096266538 222105464 /nfs/dbraw/zinc/10/54/64/222105464.db2.gz CVBKUJPZTGDACK-UHFFFAOYSA-N 0 0 350.403 3.585 40 0 FHABRN COc1cccc(-c2ccc3c([C@@H]4CCCN4c4ncccn4)nnn3c2)c1 ZINC000096267920 222107636 /nfs/dbraw/zinc/10/76/36/222107636.db2.gz IISVCPAJMLBDRM-SFHVURJKSA-N 0 0 372.432 3.536 40 0 FHABRN O=C(c1ccc(F)cc1)N1CCc2ncnc(-c3ccsc3)c2CC1 ZINC000096187621 222071096 /nfs/dbraw/zinc/07/10/96/222071096.db2.gz PGMFEQPALQCCIS-UHFFFAOYSA-N 0 0 353.422 3.585 40 0 FHABRN Cc1cccc(NC(=O)N2CCC3(CN(c4cccc(F)c4)C3=O)CC2)c1 ZINC000096202937 222075224 /nfs/dbraw/zinc/07/52/24/222075224.db2.gz RXVYRCJCJDHXGA-UHFFFAOYSA-N 0 0 367.424 3.795 40 0 FHABRN Cc1ccc(C(=O)N2CCOC[C@@H]2c2csc(-c3ccccc3)n2)o1 ZINC000096217381 222081569 /nfs/dbraw/zinc/08/15/69/222081569.db2.gz PIGZUCZIZHVJGN-MRXNPFEDSA-N 0 0 354.431 3.925 40 0 FHABRN CCc1ccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1 ZINC000096226898 222087951 /nfs/dbraw/zinc/08/79/51/222087951.db2.gz VYSHIZQHEWEMAE-NQIIRXRSSA-N 0 0 364.449 3.527 40 0 FHABRN O=C(Nc1cccc(F)c1)[C@H]1C[C@@]12CCN(C(=O)Nc1ccc(F)cc1)C2 ZINC000096227229 222088285 /nfs/dbraw/zinc/08/82/85/222088285.db2.gz NUAYAEQATSKKPW-YLJYHZDGSA-N 0 0 371.387 3.847 40 0 FHABRN COc1ccccc1N1C(=O)C[C@H](Nc2cccc(Cl)c2Cl)C1=O ZINC000096301214 222113555 /nfs/dbraw/zinc/11/35/55/222113555.db2.gz FYXHSWTUOFEEFU-LBPRGKRZSA-N 0 0 365.216 3.746 40 0 FHABRN Cc1ccc(C(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccs3)C2)cc1C ZINC000096227648 222090158 /nfs/dbraw/zinc/09/01/58/222090158.db2.gz FGKQXIJHSWJHRA-RXVVDRJESA-N 0 0 368.502 3.534 40 0 FHABRN C[C@](Br)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 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MNFUINLMAHTHNQ-KRWDZBQOSA-N 0 0 370.468 3.702 40 0 FHABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223002699 568589700 /nfs/dbraw/zinc/58/97/00/568589700.db2.gz UHMVEGNSEIJGSR-MOPGFXCFSA-N 0 0 370.522 3.617 40 0 FHABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223002752 568589717 /nfs/dbraw/zinc/58/97/17/568589717.db2.gz UHMVEGNSEIJGSR-RBUKOAKNSA-N 0 0 370.522 3.617 40 0 FHABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 ZINC000223002828 568589826 /nfs/dbraw/zinc/58/98/26/568589826.db2.gz UHMVEGNSEIJGSR-RTBURBONSA-N 0 0 370.522 3.617 40 0 FHABRN COc1ccc(CN(C)S(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 ZINC000223011486 568591285 /nfs/dbraw/zinc/59/12/85/568591285.db2.gz HUACNHVLCWVPLK-UHFFFAOYSA-N 0 0 363.479 3.648 40 0 FHABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 ZINC000223011910 568591352 /nfs/dbraw/zinc/59/13/52/568591352.db2.gz MXMPFPGDXAXBFL-LJQANCHMSA-N 0 0 372.896 3.744 40 0 FHABRN CCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 ZINC000025765535 568595806 /nfs/dbraw/zinc/59/58/06/568595806.db2.gz JVGGMJAQQMZTMG-UHFFFAOYSA-N 0 0 364.401 3.981 40 0 FHABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C ZINC000223048822 568601286 /nfs/dbraw/zinc/60/12/86/568601286.db2.gz FSUXOWCDGFIPTE-RTBURBONSA-N 0 0 372.538 3.529 40 0 FHABRN CC[C@@H](NC(=O)Cc1ccc(OC)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000223139185 568615627 /nfs/dbraw/zinc/61/56/27/568615627.db2.gz XZZPNDSEOREAKJ-QGZVFWFLSA-N 0 0 357.450 3.831 40 0 FHABRN Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 ZINC000223294207 568636012 /nfs/dbraw/zinc/63/60/12/568636012.db2.gz JPDOXEMRVZTBDI-BPUTZDHNSA-N 0 0 359.520 3.603 40 0 FHABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)c1ccccc1 ZINC000223322416 568639933 /nfs/dbraw/zinc/63/99/33/568639933.db2.gz VIXWMMPCNLRSFQ-GOSISDBHSA-N 0 0 366.505 3.975 40 0 FHABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 ZINC000223407768 568651589 /nfs/dbraw/zinc/65/15/89/568651589.db2.gz HFXNODBAXZXJRA-RTBURBONSA-N 0 0 365.458 3.856 40 0 FHABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC)c1ccccc1 ZINC000223479510 568660208 /nfs/dbraw/zinc/66/02/08/568660208.db2.gz CAIZEXHAKJAZBO-FQEVSTJZSA-N 0 0 356.441 3.832 40 0 FHABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000223486613 568660831 /nfs/dbraw/zinc/66/08/31/568660831.db2.gz IBBZAUGJNWXBRK-NRFANRHFSA-N 0 0 366.505 3.524 40 0 FHABRN O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1cccc2ccccc21 ZINC000223507985 568663175 /nfs/dbraw/zinc/66/31/75/568663175.db2.gz TYRRYBPKNXSZEI-PKNBQFBNSA-N 0 0 361.397 3.777 40 0 FHABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(C)cc3)s2)cc1 ZINC000223529878 568665400 /nfs/dbraw/zinc/66/54/00/568665400.db2.gz RYGZAMMOABNABX-ZDUSSCGKSA-N 0 0 369.446 3.928 40 0 FHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000223540072 568666657 /nfs/dbraw/zinc/66/66/57/568666657.db2.gz HHDJPOWGSAXOJC-SFHVURJKSA-N 0 0 366.505 3.735 40 0 FHABRN COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCC(C)C)c2ccccc2)cc1 ZINC000223540223 568666776 /nfs/dbraw/zinc/66/67/76/568666776.db2.gz OCOOXYCSNPPXER-OAQYLSRUSA-N 0 0 368.477 3.557 40 0 FHABRN CSc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(C)=O ZINC000223556329 568669009 /nfs/dbraw/zinc/66/90/09/568669009.db2.gz SJQKKNTTYWDXPW-UHFFFAOYSA-N 0 0 364.492 3.785 40 0 FHABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000223594022 568674281 /nfs/dbraw/zinc/67/42/81/568674281.db2.gz MTZSSRUIZQCPTB-KRWDZBQOSA-N 0 0 370.518 3.641 40 0 FHABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccccc1 ZINC000223615239 568680500 /nfs/dbraw/zinc/68/05/00/568680500.db2.gz DRUQWWFXOGGDPO-DLBZAZTESA-N 0 0 353.462 3.916 40 0 FHABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000223636780 568686099 /nfs/dbraw/zinc/68/60/99/568686099.db2.gz LGYSNQJYHGOSCB-INIZCTEOSA-N 0 0 372.896 3.744 40 0 FHABRN Cc1ccccc1CS(=O)(=O)NCCOc1ccccc1C(C)(C)C ZINC000223700751 568705543 /nfs/dbraw/zinc/70/55/43/568705543.db2.gz DJSDNHDZNOBCJR-UHFFFAOYSA-N 0 0 361.507 3.791 40 0 FHABRN CN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223745350 568718210 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COc1ccccc1Cn1c(C)cc(NCc2ccccc2)c(C=O)c1=O ZINC000016790009 220193834 /nfs/dbraw/zinc/19/38/34/220193834.db2.gz MQFPHEWGQWGJCZ-UHFFFAOYSA-N 0 0 362.429 3.638 40 0 FHABRN COc1ccc(OCCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000016754056 220194001 /nfs/dbraw/zinc/19/40/01/220194001.db2.gz BZCFCSQEYNKPJZ-UHFFFAOYSA-N 0 0 358.419 3.721 40 0 FHABRN CCC(=O)n1c(CC)nc2c1SC(c1ccc(F)cc1)=NN2C(=O)CC ZINC000016777735 220194226 /nfs/dbraw/zinc/19/42/26/220194226.db2.gz NEQLFKFTKHNXQZ-UHFFFAOYSA-N 0 0 374.441 3.845 40 0 FHABRN O=C1OCC/C1=C\OCCCCCCCCCCO/C=C1\CCOC1=O ZINC000017019797 220199925 /nfs/dbraw/zinc/19/99/25/220199925.db2.gz ZKODMILGLBETIF-YTEMWHBBSA-N 0 0 366.454 3.802 40 0 FHABRN COc1c(Br)cc(/C=C(\C)[N+](=O)[O-])cc1Br ZINC000017060961 220202409 /nfs/dbraw/zinc/20/24/09/220202409.db2.gz JJHATOUUUFAMNV-ZZXKWVIFSA-N 0 0 350.994 3.858 40 0 FHABRN C[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)[C@@H]1C ZINC000017075382 220204245 /nfs/dbraw/zinc/20/42/45/220204245.db2.gz ONPFGMBLRBYCSL-DNRKLUKYSA-N 0 0 367.125 3.823 40 0 FHABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCc2ccccc2C1 ZINC000017322046 220212954 /nfs/dbraw/zinc/21/29/54/220212954.db2.gz HALVHOAIPAQSSM-UHFFFAOYSA-N 0 0 367.836 3.908 40 0 FHABRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](CC(C)C)[C@@H]2C1=O ZINC000018118894 220225007 /nfs/dbraw/zinc/22/50/07/220225007.db2.gz BMHVPIICEQFDLA-UFYCRDLUSA-N 0 0 364.445 3.720 40 0 FHABRN CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000018131738 220225199 /nfs/dbraw/zinc/22/51/99/220225199.db2.gz TZNSZNVGNSFLJU-MRXNPFEDSA-N 0 0 359.422 3.602 40 0 FHABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)C(C)(C)C ZINC000019017427 220232788 /nfs/dbraw/zinc/23/27/88/220232788.db2.gz SHFTZTJKSQEFGB-ZCNNSNEGSA-N 0 0 374.500 3.957 40 0 FHABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C(C)(C)C ZINC000019017428 220233408 /nfs/dbraw/zinc/23/34/08/220233408.db2.gz ZKVKKLPUXWRUCY-ZCNNSNEGSA-N 0 0 356.510 3.818 40 0 FHABRN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)C(C)(C)C)Cc1ccccc1O2 ZINC000019016305 220233435 /nfs/dbraw/zinc/23/34/35/220233435.db2.gz YZJRLJAQSAIODA-UHFFFAOYSA-N 0 0 372.509 3.613 40 0 FHABRN CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccs3)cc(=O)[nH]2)CC1 ZINC000019083182 220235460 /nfs/dbraw/zinc/23/54/60/220235460.db2.gz MIWBBGDUOKCWQK-UHFFFAOYSA-N 0 0 361.467 3.613 40 0 FHABRN C[C@@H](C(=O)N1CCC[C@@H](COc2ccccc2F)C1)n1cc(Cl)cn1 ZINC000019078247 220235607 /nfs/dbraw/zinc/23/56/07/220235607.db2.gz MPWVCQUTRREFPD-UONOGXRCSA-N 0 0 365.836 3.554 40 0 FHABRN Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)on1 ZINC000019120024 220235721 /nfs/dbraw/zinc/23/57/21/220235721.db2.gz WHIZPPXDARZCLI-MRXNPFEDSA-N 0 0 370.840 3.689 40 0 FHABRN Cc1ccc([C@H](NC(=O)[C@H](C)Cn2cc(Cl)cn2)c2cccnc2)cc1 ZINC000019136566 220237837 /nfs/dbraw/zinc/23/78/37/220237837.db2.gz IYIFACMFHWVBBV-BEFAXECRSA-N 0 0 368.868 3.782 40 0 FHABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nnc(-c2ccccc2)s1 ZINC000018702500 220231750 /nfs/dbraw/zinc/23/17/50/220231750.db2.gz GHHJVNVSYJAQPT-VQHVLOKHSA-N 0 0 351.387 3.586 40 0 FHABRN 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/nfs/dbraw/zinc/24/32/35/220243235.db2.gz SGMNGOVWUDQNOC-MRXNPFEDSA-N 0 0 366.421 3.667 40 0 FHABRN Fc1cccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)c1F ZINC000019292720 220246712 /nfs/dbraw/zinc/24/67/12/220246712.db2.gz RTKMUAXQKPYOFU-UHFFFAOYSA-N 0 0 356.376 3.789 40 0 FHABRN Fc1ccc(F)c(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c1 ZINC000019293042 220247134 /nfs/dbraw/zinc/24/71/34/220247134.db2.gz HRJBEBLMWBMZMY-UHFFFAOYSA-N 0 0 356.376 3.789 40 0 FHABRN O=c1cc([C@H]2CCCCN2Cc2ccc(F)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340874 220250784 /nfs/dbraw/zinc/25/07/84/220250784.db2.gz ZXJLUBMIHQYAGN-LJQANCHMSA-N 0 0 364.424 3.698 40 0 FHABRN O=C(Cc1ccc(F)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000019333216 220251116 /nfs/dbraw/zinc/25/11/16/220251116.db2.gz YVUVVSAZXWMMTF-UHFFFAOYSA-N 0 0 371.437 3.886 40 0 FHABRN O=C(c1cccnc1)N1[C@H]2CC[C@H](C2)[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000019337291 220251169 /nfs/dbraw/zinc/25/11/69/220251169.db2.gz XFXROTHJAKTXME-COXVUDFISA-N 0 0 364.380 3.637 40 0 FHABRN O=C(CCc1ccccc1F)N1CCC[C@H]1c1nnc(-c2ccccn2)o1 ZINC000019348636 220251295 /nfs/dbraw/zinc/25/12/95/220251295.db2.gz MSAYKOWRMOYECE-KRWDZBQOSA-N 0 0 366.396 3.567 40 0 FHABRN O=C(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccccc1Cl ZINC000019347751 220251940 /nfs/dbraw/zinc/25/19/40/220251940.db2.gz QCLDYVGFUNRGQV-SFHVURJKSA-N 0 0 364.836 3.999 40 0 FHABRN O=c1cc(Cn2cccn2)[nH]c2cc(-c3ccc(Cl)cc3Cl)nn21 ZINC000019406177 220255968 /nfs/dbraw/zinc/25/59/68/220255968.db2.gz HMCHKMPJEHUXOY-UHFFFAOYSA-N 0 0 360.204 3.654 40 0 FHABRN C[C@@H](NC(=O)CN(C)Cc1ccccn1)c1cc2cc(Cl)ccc2o1 ZINC000019458551 220260410 /nfs/dbraw/zinc/26/04/10/220260410.db2.gz CVDQBUDISPZUQO-CYBMUJFWSA-N 0 0 357.841 3.790 40 0 FHABRN C[C@@H]1C[C@H]1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 ZINC000019495893 220260711 /nfs/dbraw/zinc/26/07/11/220260711.db2.gz MREHILJAZLOOGJ-RDTXWAMCSA-N 0 0 364.424 3.523 40 0 FHABRN CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)[nH]n1 ZINC000019451791 220258413 /nfs/dbraw/zinc/25/84/13/220258413.db2.gz MCJIFFRULOIOIR-OAHLLOKOSA-N 0 0 363.465 3.683 40 0 FHABRN C[C@@H](CC(=O)N1CCC(c2noc3cc(F)ccc32)CC1)n1cccn1 ZINC000019455124 220258580 /nfs/dbraw/zinc/25/85/80/220258580.db2.gz JJJHSJNJAKTKAL-ZDUSSCGKSA-N 0 0 356.401 3.521 40 0 FHABRN CCC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)C1 ZINC000019498414 220264036 /nfs/dbraw/zinc/26/40/36/220264036.db2.gz PEAWCQICJLOHLN-NRFANRHFSA-N 0 0 370.518 3.675 40 0 FHABRN CCC(=O)N1CCC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 ZINC000019498618 220264215 /nfs/dbraw/zinc/26/42/15/220264215.db2.gz KARSRVMTJZCXMN-OAQYLSRUSA-N 0 0 370.518 3.722 40 0 FHABRN CCc1nccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C ZINC000019523596 220265779 /nfs/dbraw/zinc/26/57/79/220265779.db2.gz WIUCKFQIWWKACU-AWEZNQCLSA-N 0 0 353.470 3.730 40 0 FHABRN CCOc1ccc2oc(C)c(C(=O)NCCn3nc(C)c(C)c3C)c2c1 ZINC000019519898 220266673 /nfs/dbraw/zinc/26/66/73/220266673.db2.gz ODZHEFGAYWZFDH-UHFFFAOYSA-N 0 0 355.438 3.692 40 0 FHABRN Cc1nc(C2CCN(C(=O)C3CCCC3)CC2)sc1-c1ccncn1 ZINC000019560651 220271181 /nfs/dbraw/zinc/27/11/81/220271181.db2.gz FKVWSWACVJPQOJ-UHFFFAOYSA-N 0 0 356.495 3.805 40 0 FHABRN COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2sc(C)nc2C)cc1 ZINC000019559963 220272133 /nfs/dbraw/zinc/27/21/33/220272133.db2.gz GLSHSTPPYBNSSP-VKJFTORMSA-N 0 0 372.490 3.841 40 0 FHABRN Cc1noc2nc([C@H]3CCCN(C(=O)c4cccnc4)C3)cc(C(F)F)c12 ZINC000019564172 220273351 /nfs/dbraw/zinc/27/33/51/220273351.db2.gz RBTHNARLIDFOJY-ZDUSSCGKSA-N 0 0 372.375 3.884 40 0 FHABRN Cc1noc2nc(C3CCN(C(=O)c4ccccn4)CC3)cc(C(F)F)c12 ZINC000019564901 220274442 /nfs/dbraw/zinc/27/44/42/220274442.db2.gz VNCUUVDBOBSDIA-UHFFFAOYSA-N 0 0 372.375 3.884 40 0 FHABRN COc1cccc(CN(Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)c1 ZINC000019564630 220274744 /nfs/dbraw/zinc/27/47/44/220274744.db2.gz DRTOLZYXIFCTFP-SFHVURJKSA-N 0 0 351.450 3.753 40 0 FHABRN Cc1cc(C)n([C@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)n1 ZINC000019573271 220276194 /nfs/dbraw/zinc/27/61/94/220276194.db2.gz YQJBUSYBDDDCBY-FQEVSTJZSA-N 0 0 362.437 3.556 40 0 FHABRN COc1ccc(CN(C)C(=O)c2cc3ccc(N(C)C)cc3[nH]2)cc1OC ZINC000019585009 220276835 /nfs/dbraw/zinc/27/68/35/220276835.db2.gz IFLWPTRSNJKXDG-UHFFFAOYSA-N 0 0 367.449 3.523 40 0 FHABRN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)n1 ZINC000019572779 220276856 /nfs/dbraw/zinc/27/68/56/220276856.db2.gz YYLMWLAQXGJFCU-QZTJIDSGSA-N 0 0 373.472 3.908 40 0 FHABRN CN1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccccc1Cl)C2 ZINC000019589032 220279326 /nfs/dbraw/zinc/27/93/26/220279326.db2.gz FXPOWPBNRXVEFZ-LJQANCHMSA-N 0 0 356.901 3.845 40 0 FHABRN Cc1ccc2nc(-c3ccccn3)cc(C(=O)N(C)CC3(C)COC3)c2c1 ZINC000019665127 220282785 /nfs/dbraw/zinc/28/27/85/220282785.db2.gz MPMYCXYNYIPBKR-UHFFFAOYSA-N 0 0 361.445 3.714 40 0 FHABRN C[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019661386 220283343 /nfs/dbraw/zinc/28/33/43/220283343.db2.gz LZXNRPRFFUXRLX-GFCCVEGCSA-N 0 0 350.459 3.706 40 0 FHABRN Cc1sc(NC(=O)CC[C@@H]2CCC(=O)N2)nc1-c1cccc(Cl)c1 ZINC000019660342 220283651 /nfs/dbraw/zinc/28/36/51/220283651.db2.gz 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O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccccc1Cl ZINC000019937609 220306581 /nfs/dbraw/zinc/30/65/81/220306581.db2.gz RYJGLMNJLUETLQ-UHFFFAOYSA-N 0 0 374.227 3.925 40 0 FHABRN O=C(Nc1cc(Cl)ccc1Cl)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937233 220306730 /nfs/dbraw/zinc/30/67/30/220306730.db2.gz AWENGYOLUSJYPO-UHFFFAOYSA-N 0 0 360.200 3.996 40 0 FHABRN COC(=O)c1cc2cc(NC(=O)COc3ccc(F)cc3)ccc2s1 ZINC000019935117 220307309 /nfs/dbraw/zinc/30/73/09/220307309.db2.gz WUHMPYLQJLMZMF-UHFFFAOYSA-N 0 0 359.378 3.845 40 0 FHABRN COc1cccc(OC)c1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000020025472 220307963 /nfs/dbraw/zinc/30/79/63/220307963.db2.gz OYUGHCXFECSGOY-NSHDSACASA-N 0 0 364.239 3.957 40 0 FHABRN c1ccc(-c2cc(-c3cccnc3)n3nc(-c4ccncc4)nc3n2)cc1 ZINC000019960950 220308963 /nfs/dbraw/zinc/30/89/63/220308963.db2.gz LEVKIWYGJRZVLV-UHFFFAOYSA-N 0 0 350.385 3.915 40 0 FHABRN COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)c(Cl)c1Cl ZINC000020050301 220309685 /nfs/dbraw/zinc/30/96/85/220309685.db2.gz RQJRJBCDEWCJRF-UHFFFAOYSA-N 0 0 364.225 3.620 40 0 FHABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)cc2)cc1Cl ZINC000020030005 220309869 /nfs/dbraw/zinc/30/98/69/220309869.db2.gz NETKVAVLQCOFST-LBPRGKRZSA-N 0 0 369.870 3.787 40 0 FHABRN COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 ZINC000020141673 220315770 /nfs/dbraw/zinc/31/57/70/220315770.db2.gz HJCRRXKHKUFBOU-UHFFFAOYSA-N 0 0 353.374 3.708 40 0 FHABRN CCOC(=O)c1cc(NC(=O)c2c(OC)cccc2OC)ccc1Cl ZINC000020490752 220329862 /nfs/dbraw/zinc/32/98/62/220329862.db2.gz BCINSDNDWSMMBH-UHFFFAOYSA-N 0 0 363.797 3.786 40 0 FHABRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)c1ccccc1 ZINC000020485506 220330068 /nfs/dbraw/zinc/33/00/68/220330068.db2.gz MYHARBKBXCSBSZ-OAHLLOKOSA-N 0 0 366.870 3.593 40 0 FHABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)cc1 ZINC000020671607 220337790 /nfs/dbraw/zinc/33/77/90/220337790.db2.gz VMVUOTKBIRGYGX-INIZCTEOSA-N 0 0 370.412 3.713 40 0 FHABRN CNc1nc([C@H]2CCCN2C(=O)c2cnc3ccccc3c2)cn2cccc12 ZINC000257290173 533087284 /nfs/dbraw/zinc/08/72/84/533087284.db2.gz QBWLTFGPZSHKFG-LJQANCHMSA-N 0 0 371.444 3.902 40 0 FHABRN CNc1nc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)cn2cccc12 ZINC000257321271 533087523 /nfs/dbraw/zinc/08/75/23/533087523.db2.gz WAXCMZQOPIDEQA-LJQANCHMSA-N 0 0 371.444 3.902 40 0 FHABRN CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(C)c1)C3 ZINC000020796129 220341558 /nfs/dbraw/zinc/34/15/58/220341558.db2.gz YKEHKTPHMOCRNA-AWEZNQCLSA-N 0 0 352.463 3.848 40 0 FHABRN Cc1ccc(-c2nc3c4cnn(-c5ccccc5)c4[nH]c(=S)n3n2)cc1 ZINC000020799495 220341722 /nfs/dbraw/zinc/34/17/22/220341722.db2.gz AAKHJANXFIFMPS-UHFFFAOYSA-N 0 0 358.430 3.727 40 0 FHABRN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000021002228 220348433 /nfs/dbraw/zinc/34/84/33/220348433.db2.gz CKLXGVJRMVSJPA-UHFFFAOYSA-N 0 0 366.870 3.527 40 0 FHABRN COc1ccc(OCCCC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000021904885 220371369 /nfs/dbraw/zinc/37/13/69/220371369.db2.gz WWXLVXSCWIHBNA-UHFFFAOYSA-N 0 0 363.841 3.703 40 0 FHABRN CCn1cc(C(=O)N[C@H](C)c2ccccc2OC)c(=O)c2cc(C)ccc21 ZINC000022234783 220379534 /nfs/dbraw/zinc/37/95/34/220379534.db2.gz WXLVPFBLTZFIAB-OAHLLOKOSA-N 0 0 364.445 3.829 40 0 FHABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1SC)cn2C ZINC000022237357 220379725 /nfs/dbraw/zinc/37/97/25/220379725.db2.gz WAHUJSVTYWIHPA-UHFFFAOYSA-N 0 0 368.458 3.911 40 0 FHABRN CCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)c2cc(Cl)ccc21 ZINC000022234839 220380007 /nfs/dbraw/zinc/38/00/07/220380007.db2.gz QCSLDQLFWUISQJ-UHFFFAOYSA-N 0 0 354.837 3.913 40 0 FHABRN CCn1cc(C(=O)Nc2cc(C)ccc2C)c(=O)c2cc(OC)ccc21 ZINC000022235722 220380091 /nfs/dbraw/zinc/38/00/91/220380091.db2.gz CYJJNWWOLJGOFO-UHFFFAOYSA-N 0 0 350.418 3.899 40 0 FHABRN Cn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(F)ccc21 ZINC000022236312 220380400 /nfs/dbraw/zinc/38/04/00/220380400.db2.gz SXZZZRJBBQMXDG-UHFFFAOYSA-N 0 0 364.298 3.949 40 0 FHABRN CCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2cc(Cl)ccc21 ZINC000022234851 220380562 /nfs/dbraw/zinc/38/05/62/220380562.db2.gz VPLUEVLMHOVMTE-UHFFFAOYSA-N 0 0 370.836 3.613 40 0 FHABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000022508732 220388876 /nfs/dbraw/zinc/38/88/76/220388876.db2.gz HYVGFTORPPMCOV-LLVKDONJSA-N 0 0 361.419 3.552 40 0 FHABRN CCc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000022518254 220388889 /nfs/dbraw/zinc/38/88/89/220388889.db2.gz TZCTXFKNBCERLT-UHFFFAOYSA-N 0 0 352.843 3.526 40 0 FHABRN Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000022533637 220389201 /nfs/dbraw/zinc/38/92/01/220389201.db2.gz HFFGWYAIHTXESH-GFCCVEGCSA-N 0 0 366.870 3.511 40 0 FHABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000030863303 220628288 /nfs/dbraw/zinc/62/82/88/220628288.db2.gz NWADOYHXWGLEBJ-YLJYHZDGSA-N 0 0 355.434 3.739 40 0 FHABRN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000035289588 220776814 /nfs/dbraw/zinc/77/68/14/220776814.db2.gz RCVUBWQQDSZNKM-KRWDZBQOSA-N 0 0 373.840 3.984 40 0 FHABRN COCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccncc2)s1 ZINC000035315949 220778031 /nfs/dbraw/zinc/77/80/31/220778031.db2.gz JQMOJKCAWLBMDE-UHFFFAOYSA-N 0 0 374.853 3.547 40 0 FHABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000038772468 220857832 /nfs/dbraw/zinc/85/78/32/220857832.db2.gz ALTZNASRMFBTRC-MRXNPFEDSA-N 0 0 357.450 3.610 40 0 FHABRN CCc1ccccc1NC(=O)C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964127 220866843 /nfs/dbraw/zinc/86/68/43/220866843.db2.gz YTHLAVHLTTWJAH-IBGZPJMESA-N 0 0 374.444 3.678 40 0 FHABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1C ZINC000042853551 220942416 /nfs/dbraw/zinc/94/24/16/220942416.db2.gz AABVXVZPSIUYEW-QGZVFWFLSA-N 0 0 366.461 3.945 40 0 FHABRN COc1cccc(OCCNC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000043771268 220949541 /nfs/dbraw/zinc/94/95/41/220949541.db2.gz OWIFIZBKTUFRDW-UHFFFAOYSA-N 0 0 357.450 3.701 40 0 FHABRN O=C(COc1ccc(Br)cc1)NCCSC1CCCC1 ZINC000048449237 221013223 /nfs/dbraw/zinc/01/32/23/221013223.db2.gz TWOAMZHYOZWZHA-UHFFFAOYSA-N 0 0 358.301 3.620 40 0 FHABRN CCOC(=O)c1ccc(Nc2cc(N)nc(-c3ccccc3F)n2)cc1 ZINC000049467865 221023278 /nfs/dbraw/zinc/02/32/78/221023278.db2.gz FGLAIAYAMPBLIV-UHFFFAOYSA-N 0 0 352.369 3.785 40 0 FHABRN CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000049976662 221029580 /nfs/dbraw/zinc/02/95/80/221029580.db2.gz NVVHWBRGFDLMMY-UHFFFAOYSA-N 0 0 354.269 3.973 40 0 FHABRN CCN(CC)C(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000054360739 221053483 /nfs/dbraw/zinc/05/34/83/221053483.db2.gz JYKRCQJFDDYRQN-NJAVVXAXSA-N 0 0 358.463 3.538 40 0 FHABRN COc1ccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)cc1 ZINC000064936506 221155671 /nfs/dbraw/zinc/15/56/71/221155671.db2.gz XROOGRKQMLRFRE-UHFFFAOYSA-N 0 0 360.479 3.632 40 0 FHABRN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(Br)c2)C1 ZINC000067802890 221287546 /nfs/dbraw/zinc/28/75/46/221287546.db2.gz DTEUBCRJSWJARX-CQSZACIVSA-N 0 0 355.276 3.548 40 0 FHABRN CN(CCCNC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000069268339 221323079 /nfs/dbraw/zinc/32/30/79/221323079.db2.gz GYWRELZXODQMAE-UHFFFAOYSA-N 0 0 366.383 3.727 40 0 FHABRN CCC(CC)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000068935565 221319800 /nfs/dbraw/zinc/31/98/00/221319800.db2.gz BMAFGROKFUNTLO-UHFFFAOYSA-N 0 0 364.442 3.545 40 0 FHABRN Fc1c(Cl)cccc1Cn1nc(Br)nc1Br ZINC000071978760 221393246 /nfs/dbraw/zinc/39/32/46/221393246.db2.gz DQMDTRIFBQXICO-UHFFFAOYSA-N 0 0 369.419 3.644 40 0 FHABRN c1[nH]c2ccccc2c1CN1CCOC[C@H]1c1nc(-c2ccncc2)c[nH]1 ZINC000072322065 221466079 /nfs/dbraw/zinc/46/60/79/221466079.db2.gz QQHAHBWYYNJYHT-FQEVSTJZSA-N 0 0 359.433 3.527 40 0 biogenic,in-vitro FHABRN Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccc(=O)[nH]c4)C3)n2)c1 ZINC000072349903 221476973 /nfs/dbraw/zinc/47/69/73/221476973.db2.gz LQBKAMLDSBOMNS-IBGZPJMESA-N 0 0 373.456 3.765 40 0 FHABRN O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358699 221480186 /nfs/dbraw/zinc/48/01/86/221480186.db2.gz PHPQTKBKBADPNM-MRXNPFEDSA-N 0 0 362.408 3.698 40 0 FHABRN Cc1nc(C)n(C[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)n1 ZINC000072390294 221491695 /nfs/dbraw/zinc/49/16/95/221491695.db2.gz FIWWSCHZZAXDIL-LLVKDONJSA-N 0 0 373.457 3.741 40 0 FHABRN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cccnc1 ZINC000072396945 221493922 /nfs/dbraw/zinc/49/39/22/221493922.db2.gz BPGAEAFRYVTTQP-GOSISDBHSA-N 0 0 366.852 3.787 40 0 FHABRN Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000072377053 221485510 /nfs/dbraw/zinc/48/55/10/221485510.db2.gz UTOJRLXLFVTPFA-SFHVURJKSA-N 0 0 350.466 3.970 40 0 FHABRN COc1cccc(CNc2cc(-c3ccccn3)nc(NC(C)(C)C)n2)c1 ZINC000328980804 533486692 /nfs/dbraw/zinc/48/66/92/533486692.db2.gz GPNJQMQASPPWSJ-UHFFFAOYSA-N 0 0 363.465 3.792 40 0 FHABRN COc1cccc(Cc2cnc([C@H]3CCCN3C(=O)c3ccncc3)o2)c1 ZINC000257236309 533550842 /nfs/dbraw/zinc/55/08/42/533550842.db2.gz HBOAKOIDNMORPY-LJQANCHMSA-N 0 0 363.417 3.646 40 0 FHABRN Cc1ccc(C)c(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000001779184 132252921 /nfs/dbraw/zinc/25/29/21/132252921.db2.gz BGHBELBDICDOAD-UHFFFAOYSA-N 0 0 368.477 3.938 40 0 FHABRN COc1ccc(OC)c(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 ZINC000219850017 132274843 /nfs/dbraw/zinc/27/48/43/132274843.db2.gz MVERVTFMAHMVNU-UHFFFAOYSA-N 0 0 354.450 3.867 40 0 FHABRN CCOc1ccc(CNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000219862286 132275203 /nfs/dbraw/zinc/27/52/03/132275203.db2.gz ANAUFWNCASDZSD-UHFFFAOYSA-N 0 0 352.478 3.927 40 0 FHABRN C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223196500 132278965 /nfs/dbraw/zinc/27/89/65/132278965.db2.gz FRDMDKXPDITDSH-MRXNPFEDSA-N 0 0 350.462 3.503 40 0 FHABRN COc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000225097208 132284100 /nfs/dbraw/zinc/28/41/00/132284100.db2.gz MPIFOQRBXLLPTK-UHFFFAOYSA-N 0 0 364.489 3.856 40 0 FHABRN CC(C)c1ccc(C[C@H](C(=O)[O-])[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000225143109 132284332 /nfs/dbraw/zinc/28/43/32/132284332.db2.gz YMWOLLJHGCWNFV-OAQYLSRUSA-N 0 0 352.478 3.628 40 0 FHABRN Cc1cc(C)nc(Nc2ccc(C(=O)N3CCOc4ccccc43)cc2)n1 ZINC000225912816 132287505 /nfs/dbraw/zinc/28/75/05/132287505.db2.gz 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373.460 3.837 40 0 FHABRN Cc1cc(N)n(-c2ccc(C(=O)NCC(C)(C)c3cccc(F)c3)cc2)n1 ZINC000019717858 220289925 /nfs/dbraw/zinc/28/99/25/220289925.db2.gz RIVDYZBCVHCOHV-UHFFFAOYSA-N 0 0 366.440 3.610 40 0 FHABRN COc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)on2)cc1 ZINC000019718909 220290024 /nfs/dbraw/zinc/29/00/24/220290024.db2.gz ZAZKMIDLGSUPIK-UHFFFAOYSA-N 0 0 374.400 3.847 40 0 FHABRN COc1cccc(-c2cc(C(=O)Nc3cccc(-n4cccn4)c3)on2)c1 ZINC000019718588 220290400 /nfs/dbraw/zinc/29/04/00/220290400.db2.gz JEQHEJMIBQDINT-UHFFFAOYSA-N 0 0 360.373 3.788 40 0 FHABRN CCOC1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000019716012 220290426 /nfs/dbraw/zinc/29/04/26/220290426.db2.gz QDIYRAWOALIRTK-UHFFFAOYSA-N 0 0 359.495 3.558 40 0 FHABRN Cc1cccc(C)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937598 220305994 /nfs/dbraw/zinc/30/59/94/220305994.db2.gz RTAGNAIJYGHLLX-UHFFFAOYSA-N 0 0 367.836 3.888 40 0 FHABRN Cc1ccc(F)cc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937747 220306517 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CC(C)CC(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020151387 220316556 /nfs/dbraw/zinc/31/65/56/220316556.db2.gz VTFHPNRMWXMQNY-UHFFFAOYSA-N 0 0 366.870 3.951 40 0 FHABRN O=C(COc1ccccc1F)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000020609914 220336498 /nfs/dbraw/zinc/33/64/98/220336498.db2.gz COLJBOMDHUBKJF-UHFFFAOYSA-N 0 0 362.364 3.577 40 0 FHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000020460164 220328226 /nfs/dbraw/zinc/32/82/26/220328226.db2.gz ABEBFMHKYUWAAW-IBGZPJMESA-N 0 0 370.424 3.858 40 0 FHABRN CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1 ZINC000020490334 220329509 /nfs/dbraw/zinc/32/95/09/220329509.db2.gz BACYSVCCKDAQAS-LJQANCHMSA-N 0 0 372.490 3.551 40 0 FHABRN CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020493352 220329832 /nfs/dbraw/zinc/32/98/32/220329832.db2.gz PJJMBXFMQGZIBM-UHFFFAOYSA-N 0 0 366.870 3.589 40 0 FHABRN CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C(C)C)nn2c1N ZINC000020636006 220337199 /nfs/dbraw/zinc/33/71/99/220337199.db2.gz 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ZINC000022525180 220389362 /nfs/dbraw/zinc/38/93/62/220389362.db2.gz BMLABELLLLOCQB-HXUWFJFHSA-N 0 0 369.461 3.799 40 0 FHABRN COc1cccc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000022528379 220389416 /nfs/dbraw/zinc/38/94/16/220389416.db2.gz CSMZCGOQYJSUGJ-QGZVFWFLSA-N 0 0 353.462 3.944 40 0 FHABRN O=C(NCCSC1CCCCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000022524522 220389419 /nfs/dbraw/zinc/38/94/19/220389419.db2.gz FPLATHAAXCDZSF-UHFFFAOYSA-N 0 0 360.523 3.605 40 0 FHABRN CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2-n2ccnc2)cc1 ZINC000022526082 220389610 /nfs/dbraw/zinc/38/96/10/220389610.db2.gz YKJBELGEGCAVLY-UHFFFAOYSA-N 0 0 363.461 3.865 40 0 FHABRN Cc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000032101063 220656488 /nfs/dbraw/zinc/65/64/88/220656488.db2.gz MIINVJGHPGJTJR-GOSISDBHSA-N 0 0 362.351 3.805 40 0 FHABRN COc1cccc([C@@H](c2sc3ncnn3c2[O-])[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000034118510 220753699 /nfs/dbraw/zinc/75/36/99/220753699.db2.gz UMFZSOKLQBKPFH-XEZPLFJOSA-N 0 0 372.494 3.572 40 0 FHABRN CC(=O)c1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000035289544 220776132 /nfs/dbraw/zinc/77/61/32/220776132.db2.gz DGDTXMIKWCJXHA-UHFFFAOYSA-N 0 0 371.481 3.582 40 0 FHABRN CC1=N[C@@H]2C=C(OC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C=C[C@H]2S1 ZINC000039954428 220867596 /nfs/dbraw/zinc/86/75/96/220867596.db2.gz RVZDPDIOANUWFS-FVQBIDKESA-N 0 0 350.484 3.616 40 0 FHABRN CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000042142475 220935526 /nfs/dbraw/zinc/93/55/26/220935526.db2.gz FPIIQENXOJJEMN-INIZCTEOSA-N 0 0 361.482 3.687 40 0 FHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000044846182 220961518 /nfs/dbraw/zinc/96/15/18/220961518.db2.gz RQIBESNTRWAHSP-KRWDZBQOSA-N 0 0 361.413 3.659 40 0 FHABRN CCOc1ccccc1CCCNC(=O)CSc1ccc(OC)cc1 ZINC000044849384 220962635 /nfs/dbraw/zinc/96/26/35/220962635.db2.gz SUDSPWFERGTWEG-UHFFFAOYSA-N 0 0 359.491 3.935 40 0 FHABRN O=C1CCCN1Cc1ccccc1CNC(=S)Nc1ccccc1Cl ZINC000045704488 220973645 /nfs/dbraw/zinc/97/36/45/220973645.db2.gz 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O=C(Nc1ccc([C@H]2CCc3nncn3C2)cc1)c1nccc2ccccc21 ZINC000019699071 220286117 /nfs/dbraw/zinc/28/61/17/220286117.db2.gz JNAGGAQEDNPEHG-KRWDZBQOSA-N 0 0 369.428 3.809 40 0 FHABRN CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)C(C)C)CCO1 ZINC000019697911 220286303 /nfs/dbraw/zinc/28/63/03/220286303.db2.gz CKRKDPPABCWIPT-HNNXBMFYSA-N 0 0 374.506 3.595 40 0 FHABRN Cn1nccc1CN1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688410 220286571 /nfs/dbraw/zinc/28/65/71/220286571.db2.gz GCMVMUUPGQCPJX-OAQYLSRUSA-N 0 0 350.441 3.882 40 0 FHABRN Cc1nonc1COc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000019714318 220287559 /nfs/dbraw/zinc/28/75/59/220287559.db2.gz VMEXKTIDTYJSMM-UHFFFAOYSA-N 0 0 358.423 3.789 40 0 FHABRN Cc1ccc(-c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)no2)cc1 ZINC000019715051 220287573 /nfs/dbraw/zinc/28/75/73/220287573.db2.gz HCKNPPVBFOADHD-UHFFFAOYSA-N 0 0 360.373 3.630 40 0 FHABRN CNc1cccc([C@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1 ZINC000257234335 533065417 /nfs/dbraw/zinc/06/54/17/533065417.db2.gz 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220290987 /nfs/dbraw/zinc/29/09/87/220290987.db2.gz AREUZQUDIXIYGW-HXUWFJFHSA-N 0 0 356.510 3.506 40 0 FHABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937236 220307350 /nfs/dbraw/zinc/30/73/50/220307350.db2.gz GIGNDGMSVWYBAA-UHFFFAOYSA-N 0 0 360.200 3.996 40 0 FHABRN Cc1cc(C)cc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)c1 ZINC000019960228 220308243 /nfs/dbraw/zinc/30/82/43/220308243.db2.gz MPCCQXGTGNRCCG-UHFFFAOYSA-N 0 0 367.412 3.712 40 0 FHABRN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000020025639 220308269 /nfs/dbraw/zinc/30/82/69/220308269.db2.gz UMMBMECJROKTRY-LLVKDONJSA-N 0 0 362.223 3.711 40 0 FHABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCc2ccccc21 ZINC000020029987 220310159 /nfs/dbraw/zinc/31/01/59/220310159.db2.gz WJORJLRNALNEHS-HNNXBMFYSA-N 0 0 351.855 3.705 40 0 FHABRN Cc1ccc(Cn2ccc(NC(=O)c3noc4c3C[C@@H](C)CC4)n2)cc1 ZINC000020367466 220324002 /nfs/dbraw/zinc/32/40/02/220324002.db2.gz GLAJRUOJDSJLPN-AWEZNQCLSA-N 0 0 350.422 3.605 40 0 FHABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cncc(Br)c1 ZINC000020143518 220315532 /nfs/dbraw/zinc/31/55/32/220315532.db2.gz HLDYMNYFADBVOI-UHFFFAOYSA-N 0 0 373.206 3.849 40 0 FHABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(F)cc1 ZINC000020479056 220327568 /nfs/dbraw/zinc/32/75/68/220327568.db2.gz DTUDWYOSBMSGBH-UHFFFAOYSA-N 0 0 370.405 3.705 40 0 FHABRN CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3 ZINC000020671505 220337567 /nfs/dbraw/zinc/33/75/67/220337567.db2.gz CUODUJDALZVHIF-GFCCVEGCSA-N 0 0 356.426 3.678 40 0 FHABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(C(F)(F)F)nn3cc21 ZINC000020632516 220337852 /nfs/dbraw/zinc/33/78/52/220337852.db2.gz IFFWAUTYQAQVBU-VIFPVBQESA-N 0 0 366.730 3.709 40 0 FHABRN C[C@@H]1CC(=O)c2cn3nc(SCc4cccc(Cl)c4)nc3nc2C1 ZINC000020632351 220338025 /nfs/dbraw/zinc/33/80/25/220338025.db2.gz KMSXLNFMHBTTCT-JTQLQIEISA-N 0 0 358.854 3.835 40 0 FHABRN COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(F)cc1 ZINC000022073023 220375580 /nfs/dbraw/zinc/37/55/80/220375580.db2.gz QJSOEQYXKSHZCQ-UHFFFAOYSA-N 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CC[C@H](C)Nc1nc(C2CC2)cc(N2CCc3cc(OC)ccc3C2)n1 ZINC000329031373 536148445 /nfs/dbraw/zinc/14/84/45/536148445.db2.gz QJBRSAJJUSRPDF-AWEZNQCLSA-N 0 0 352.482 3.558 40 0 FHABRN O=C([O-])C[C@@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514290111 560030677 /nfs/dbraw/zinc/03/06/77/560030677.db2.gz TWPNGPZIWWUXSA-HOTGVXAUSA-N 0 0 355.482 3.851 40 0 biogenic,in-vitro FHABRN Cc1ccc2c(c1)[C@H](CCO)O[C@H]([C@@H](C)c1cc(O)c(C)c(=O)o1)[C@@H]2C ZINC000514288046 560035606 /nfs/dbraw/zinc/03/56/06/560035606.db2.gz KYRDITCXPNFIBT-KJNPBUOASA-N 0 0 358.434 3.692 40 0 biogenic,in-vitro FHABRN O=C(Nc1ccc(F)cc1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225485137 560042628 /nfs/dbraw/zinc/04/26/28/560042628.db2.gz UGPUMRAZNSEAHK-INIZCTEOSA-N 0 0 373.359 3.728 40 0 biogenic,in-vitro FHABRN c1[nH]c([C@@H]2COCCN2Cc2cnc3ccccc3c2)nc1-c1cccnc1 ZINC000072322050 560076299 /nfs/dbraw/zinc/07/62/99/560076299.db2.gz WAWXIUONOYNENU-NRFANRHFSA-N 0 0 371.444 3.593 40 0 biogenic,in-vitro FHABRN 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COC(=O)c1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 ZINC000012347659 570813122 /nfs/dbraw/zinc/81/31/22/570813122.db2.gz UCWSKBLKLIVWBI-UHFFFAOYSA-N 0 0 360.822 3.918 40 0 FHABRN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cc(C)ccn3)c12 ZINC000036611689 570834745 /nfs/dbraw/zinc/83/47/45/570834745.db2.gz RYQMNPWWLWFNKW-UHFFFAOYSA-N 0 0 357.417 3.993 40 0 FHABRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000013938132 570840091 /nfs/dbraw/zinc/84/00/91/570840091.db2.gz WENYDDNJAAIWCD-GFCCVEGCSA-N 0 0 354.269 3.797 40 0 FHABRN Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000014000298 570843209 /nfs/dbraw/zinc/84/32/09/570843209.db2.gz ZMEIMQKPUYXKCP-HHNLSAEISA-N 0 0 364.445 3.556 40 0 FHABRN CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 ZINC000014082085 570843532 /nfs/dbraw/zinc/84/35/32/570843532.db2.gz HIRFVVHTGDUUIV-UHFFFAOYSA-N 0 0 358.511 3.814 40 0 FHABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3nccs3)n2)cc1 ZINC000014152993 570844535 /nfs/dbraw/zinc/84/45/35/570844535.db2.gz QQBHQXWPADAQBQ-UHFFFAOYSA-N 0 0 372.475 3.648 40 0 FHABRN CCc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 ZINC000014257770 570845782 /nfs/dbraw/zinc/84/57/82/570845782.db2.gz KHRTUKNLSDZCHS-UHFFFAOYSA-N 0 0 353.491 3.976 40 0 FHABRN Cc1cccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1 ZINC000014630095 570847280 /nfs/dbraw/zinc/84/72/80/570847280.db2.gz VUVMTMOOHJILOX-UHFFFAOYSA-N 0 0 370.321 3.653 40 0 FHABRN COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000115081367 570847692 /nfs/dbraw/zinc/84/76/92/570847692.db2.gz JXIUBNULTPEUQQ-MRXNPFEDSA-N 0 0 361.397 3.807 40 0 FHABRN Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000014404563 570854115 /nfs/dbraw/zinc/85/41/15/570854115.db2.gz BMXHWZJGGJCTOU-VAWYXSNFSA-N 0 0 360.417 3.931 40 0 FHABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000014796059 570857573 /nfs/dbraw/zinc/85/75/73/570857573.db2.gz ZEYSQKTURUFNCE-OAHLLOKOSA-N 0 0 370.449 3.631 40 0 FHABRN CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000014903960 570859417 /nfs/dbraw/zinc/85/94/17/570859417.db2.gz NXVCPIKLEPXARQ-KDOCSACZSA-N 0 0 370.474 3.682 40 0 FHABRN Cc1ccc2c(C)nc(NC3=NCN([C@H]4CCC[C@@H](C)[C@@H]4C)CN3)nc2c1 ZINC000169713643 570862472 /nfs/dbraw/zinc/86/24/72/570862472.db2.gz UVJAURJSRPJZJF-VCBZYWHSSA-N 0 0 366.513 3.659 40 0 FHABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)C(C)C)cc2)cc1 ZINC000017054998 570868868 /nfs/dbraw/zinc/86/88/68/570868868.db2.gz KPPKZUPLRWLILJ-MRXNPFEDSA-N 0 0 374.506 3.594 40 0 FHABRN CCc1nc2n(n1)[C@H](c1ccco1)CC(c1ccc(OC)c(OC)c1)=N2 ZINC000017073015 570868883 /nfs/dbraw/zinc/86/88/83/570868883.db2.gz QCPHTHLHZHFGAG-AWEZNQCLSA-N 0 0 352.394 3.507 40 0 FHABRN CC1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000188970007 570872436 /nfs/dbraw/zinc/87/24/36/570872436.db2.gz GXIUFNONFHFLNI-UHFFFAOYSA-N 0 0 352.881 3.950 40 0 FHABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(Cl)c1 ZINC000191159014 570873506 /nfs/dbraw/zinc/87/35/06/570873506.db2.gz PVRSVYCNFANQFK-CQSZACIVSA-N 0 0 372.852 3.810 40 0 FHABRN Cc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000019946454 570874611 /nfs/dbraw/zinc/87/46/11/570874611.db2.gz ZJIJARLXOLXIRR-UHFFFAOYSA-N 0 0 360.479 3.523 40 0 FHABRN COc1ccc([C@@H](C)NC(=O)COc2cccc3cccnc32)cc1OC ZINC000194952717 570880715 /nfs/dbraw/zinc/88/07/15/570880715.db2.gz CIKZUCDVALCLRV-CQSZACIVSA-N 0 0 366.417 3.508 40 0 FHABRN O=C1[C@H](C2CCN(c3cnccn3)CC2)CCCCN1Cc1ccccc1 ZINC000019696351 570898707 /nfs/dbraw/zinc/89/87/07/570898707.db2.gz YWPIRXCYJKTHFJ-FQEVSTJZSA-N 0 0 364.493 3.522 40 0 FHABRN Cc1nn(C)c(C)c1CCNC(=O)c1ccc(Cl)c(N2CCCCC2)c1 ZINC000019714943 570899323 /nfs/dbraw/zinc/89/93/23/570899323.db2.gz FDGFIQQOWRXATR-UHFFFAOYSA-N 0 0 374.916 3.653 40 0 FHABRN Cc1cc(NC(=S)NC(=O)c2cccs2)ccc1-c1ccc(CO)o1 ZINC000020152364 570913493 /nfs/dbraw/zinc/91/34/93/570913493.db2.gz CUCQDGLBFMMWKA-UHFFFAOYSA-N 0 0 372.471 3.936 40 0 FHABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C(=O)N1c1ccccc1 ZINC000004899281 570916512 /nfs/dbraw/zinc/91/65/12/570916512.db2.gz 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/nfs/dbraw/zinc/97/13/40/570971340.db2.gz LULGEXOQWWNKSR-PKNBQFBNSA-N 0 0 355.434 3.529 40 0 FHABRN S=C(NCc1ccccc1)Nc1ncc(Cl)cc1Br ZINC000223921126 570971508 /nfs/dbraw/zinc/97/15/08/570971508.db2.gz JFHQLEYJYVPGLJ-UHFFFAOYSA-N 0 0 356.676 3.984 40 0 FHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CC ZINC000224064731 570975823 /nfs/dbraw/zinc/97/58/23/570975823.db2.gz QVMCBKQNYBJZIW-NRFANRHFSA-N 0 0 366.505 3.871 40 0 FHABRN Cc1cc(C)cc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000224114751 570977392 /nfs/dbraw/zinc/97/73/92/570977392.db2.gz APBUUTOHEOYGHB-UHFFFAOYSA-N 0 0 367.367 3.896 40 0 FHABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 ZINC000224139742 570978287 /nfs/dbraw/zinc/97/82/87/570978287.db2.gz CSXTUPOYQNWNEN-NRFANRHFSA-N 0 0 366.505 3.871 40 0 FHABRN COc1cc(C)c(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C ZINC000224148687 570978469 /nfs/dbraw/zinc/97/84/69/570978469.db2.gz NRZMBHRGBWNQKI-UHFFFAOYSA-N 0 0 363.479 3.578 40 0 FHABRN COc1ccc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000224155832 570979041 /nfs/dbraw/zinc/97/90/41/570979041.db2.gz RPBDTSQVCIHBTB-MRXNPFEDSA-N 0 0 371.477 3.955 40 0 FHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccccc1Cl ZINC000224156733 570979121 /nfs/dbraw/zinc/97/91/21/570979121.db2.gz JHVYBSVYFGZOGG-QGZVFWFLSA-N 0 0 363.841 3.701 40 0 FHABRN COc1cccc(O[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c1 ZINC000224163873 570979548 /nfs/dbraw/zinc/97/95/48/570979548.db2.gz FTHJCXJWRBJLGS-CQSZACIVSA-N 0 0 363.841 3.620 40 0 FHABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000224184073 570980276 /nfs/dbraw/zinc/98/02/76/570980276.db2.gz GVSFAXRKOPSRTQ-NRFANRHFSA-N 0 0 366.505 3.871 40 0 FHABRN C[C@@H](CNS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000224185302 570980331 /nfs/dbraw/zinc/98/03/31/570980331.db2.gz OJJXKCDFYTZAJE-ZDUSSCGKSA-N 0 0 368.296 3.672 40 0 FHABRN Cc1cccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000224213226 570981286 /nfs/dbraw/zinc/98/12/86/570981286.db2.gz SWLOCMVPTHKAID-UHFFFAOYSA-N 0 0 374.289 3.800 40 0 FHABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCCOCc1ccccc1 ZINC000224214128 570981313 /nfs/dbraw/zinc/98/13/13/570981313.db2.gz BGQBEQYZERKDMJ-UHFFFAOYSA-N 0 0 374.289 3.630 40 0 FHABRN CN(c1cccc(C(=O)Nc2ccccc2)c1)S(=O)(=O)c1ccccc1 ZINC000224252135 570982101 /nfs/dbraw/zinc/98/21/01/570982101.db2.gz RBXNLAGQOXDKFC-UHFFFAOYSA-N 0 0 366.442 3.764 40 0 FHABRN CCCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224309335 570984313 /nfs/dbraw/zinc/98/43/13/570984313.db2.gz RYGOEVNQCVNPEJ-UHFFFAOYSA-N 0 0 374.506 3.658 40 0 FHABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C ZINC000224349044 570985735 /nfs/dbraw/zinc/98/57/35/570985735.db2.gz GUOFSMSTSAQOAC-LBPRGKRZSA-N 0 0 359.297 3.893 40 0 FHABRN CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C ZINC000224349096 570985749 /nfs/dbraw/zinc/98/57/49/570985749.db2.gz GUOFSMSTSAQOAC-GFCCVEGCSA-N 0 0 359.297 3.893 40 0 FHABRN CC[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 ZINC000224358975 570986012 /nfs/dbraw/zinc/98/60/12/570986012.db2.gz 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/nfs/dbraw/zinc/99/60/53/570996053.db2.gz MCAMHTKLVSVHER-UHFFFAOYSA-N 0 0 357.475 3.850 40 0 FHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000224667215 570996557 /nfs/dbraw/zinc/99/65/57/570996557.db2.gz SDUXGNFRPIPFRA-IBGZPJMESA-N 0 0 366.505 3.789 40 0 FHABRN CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000224697512 570997912 /nfs/dbraw/zinc/99/79/12/570997912.db2.gz QCMIIBKMFGTTHI-UHFFFAOYSA-N 0 0 361.463 3.695 40 0 FHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 ZINC000224707016 570998378 /nfs/dbraw/zinc/99/83/78/570998378.db2.gz DGOPFQYCZDYXJB-IBGZPJMESA-N 0 0 366.505 3.871 40 0 FHABRN CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224719792 570998568 /nfs/dbraw/zinc/99/85/68/570998568.db2.gz MNWAWJGLDOYWAA-UHFFFAOYSA-N 0 0 367.854 3.650 40 0 FHABRN CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224793035 571000906 /nfs/dbraw/zinc/00/09/06/571000906.db2.gz MZVIKVOQSCRDBO-OAQYLSRUSA-N 0 0 366.505 3.870 40 0 FHABRN 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220223257 /nfs/dbraw/zinc/22/32/57/220223257.db2.gz GBNDMJMRHUKKJA-CHWSQXEVSA-N 0 0 361.825 3.756 40 0 FHABRN CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018086523 220223414 /nfs/dbraw/zinc/22/34/14/220223414.db2.gz MVNVHGOJCFGFJL-FHWLQOOXSA-N 0 0 368.408 3.694 40 0 FHABRN CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)cc1 ZINC000018131496 220225330 /nfs/dbraw/zinc/22/53/30/220225330.db2.gz UENFCDHUJADAOR-LJQANCHMSA-N 0 0 352.434 3.703 40 0 FHABRN COc1cc(CNC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC ZINC000018174779 220226737 /nfs/dbraw/zinc/22/67/37/220226737.db2.gz LFMLJDXDWVYVEA-UHFFFAOYSA-N 0 0 350.802 3.688 40 0 FHABRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2F)c1 ZINC000019078610 220236328 /nfs/dbraw/zinc/23/63/28/220236328.db2.gz STLWLEFDEUNCDD-KDOFPFPSSA-N 0 0 373.424 3.974 40 0 FHABRN Cc1cc(-c2cn[nH]c2[C@H]2CCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000019121028 220237773 /nfs/dbraw/zinc/23/77/73/220237773.db2.gz QHQDPHPEMWSJHS-MRXNPFEDSA-N 0 0 370.840 3.933 40 0 FHABRN 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/nfs/dbraw/zinc/26/40/20/220264020.db2.gz QYSAEQUOHMMYEK-XQQGARBVSA-N 0 0 372.509 3.613 40 0 FHABRN CCn1cc([C@@H](NC(=O)[C@@H]2CCCO2)c2ccc(F)cc2)c2ccncc21 ZINC000019524815 220265224 /nfs/dbraw/zinc/26/52/24/220265224.db2.gz ISAPSUPEMRELOD-PMACEKPBSA-N 0 0 367.424 3.580 40 0 FHABRN CCn1cc([C@H](NC(=O)[C@H]2CCCO2)c2ccc(F)cc2)c2ccncc21 ZINC000019524818 220265735 /nfs/dbraw/zinc/26/57/35/220265735.db2.gz ISAPSUPEMRELOD-WOJBJXKFSA-N 0 0 367.424 3.580 40 0 FHABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)cc2n1 ZINC000019522251 220266008 /nfs/dbraw/zinc/26/60/08/220266008.db2.gz KLUFIWQOKOZSTA-SUHUHFCYSA-N 0 0 366.387 3.630 40 0 FHABRN CCc1[nH]c(=O)c(C(=O)N(Cc2cccnc2)C2CCCCC2)cc1C ZINC000019521430 220266254 /nfs/dbraw/zinc/26/62/54/220266254.db2.gz BHFJLITYMGNJJZ-UHFFFAOYSA-N 0 0 353.466 3.616 40 0 FHABRN CCc1cc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)n(C)n1 ZINC000019522171 220266663 /nfs/dbraw/zinc/26/66/63/220266663.db2.gz ARTNVDCAWGFEIA-UHFFFAOYSA-N 0 0 373.460 3.896 40 0 FHABRN 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Cc1nc(N2CCCC2)sc1C(=O)Nc1nnc(CC2CCCCC2)[nH]1 ZINC000019663697 220283915 /nfs/dbraw/zinc/28/39/15/220283915.db2.gz ILGHKMOOCURKFQ-UHFFFAOYSA-N 0 0 374.514 3.545 40 0 FHABRN Cc1nn(C)cc1-c1cncn1CC1(c2ccc(C)cc2)CCOCC1 ZINC000019719441 220292325 /nfs/dbraw/zinc/29/23/25/220292325.db2.gz VPEWKWUWGACZFH-UHFFFAOYSA-N 0 0 350.466 3.649 40 0 FHABRN Cc1nn(C)cc1-c1cncn1CC1(c2cccc(C)c2)CCOCC1 ZINC000019719440 220292593 /nfs/dbraw/zinc/29/25/93/220292593.db2.gz OEKRIMCZQMXPBQ-UHFFFAOYSA-N 0 0 350.466 3.649 40 0 FHABRN CC(C)C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694537 220284891 /nfs/dbraw/zinc/28/48/91/220284891.db2.gz ROONSPGLYOAYAO-MRXNPFEDSA-N 0 0 370.472 3.711 40 0 FHABRN O=C(C1CCC1)N1CCC([C@@H]2CC=CCN(Cc3ccccc3)C2=O)CC1 ZINC000019696034 220286597 /nfs/dbraw/zinc/28/65/97/220286597.db2.gz SRRYPCBJSNOGIB-NRFANRHFSA-N 0 0 366.505 3.630 40 0 FHABRN O=C(Nc1cccc(Cn2cccn2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000019718154 220289850 /nfs/dbraw/zinc/28/98/50/220289850.db2.gz PTUFYPGKKQTMJG-UHFFFAOYSA-N 0 0 362.364 3.978 40 0 FHABRN COc1ccc(-c2nc(C(=O)Nc3[nH]nc4nc(C)ccc43)cs2)cc1 ZINC000019717288 220290012 /nfs/dbraw/zinc/29/00/12/220290012.db2.gz YISCWRUROAXBBI-UHFFFAOYSA-N 0 0 365.418 3.651 40 0 FHABRN Cc1ccc(C(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1N1CCCC1 ZINC000019716200 220290189 /nfs/dbraw/zinc/29/01/89/220290189.db2.gz MECWARMSLRNPSM-UHFFFAOYSA-N 0 0 367.478 3.705 40 0 FHABRN Cc1noc2nc(C)cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)c12 ZINC000019715844 220290207 /nfs/dbraw/zinc/29/02/07/220290207.db2.gz LNGHXLGIHABODF-OAHLLOKOSA-N 0 0 351.406 3.872 40 0 FHABRN CC(=O)Nc1c2ccccc2[nH]c1C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000019717779 220290404 /nfs/dbraw/zinc/29/04/04/220290404.db2.gz PISQINCYRLTYTE-UHFFFAOYSA-N 0 0 367.424 3.973 40 0 FHABRN COc1cccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)on2)c1 ZINC000019718581 220290510 /nfs/dbraw/zinc/29/05/10/220290510.db2.gz GJYKQHHCRLALNM-UHFFFAOYSA-N 0 0 374.400 3.847 40 0 FHABRN Cc1cc(C)cc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000020104200 220312377 /nfs/dbraw/zinc/31/23/77/220312377.db2.gz KOKVTHPVIQWMDJ-UHFFFAOYSA-N 0 0 352.843 3.581 40 0 FHABRN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020108142 220313627 /nfs/dbraw/zinc/31/36/27/220313627.db2.gz IJNLQIGHERDDEZ-UHFFFAOYSA-N 0 0 366.870 3.623 40 0 FHABRN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCc2ccccc2C1 ZINC000020120943 220314128 /nfs/dbraw/zinc/31/41/28/220314128.db2.gz HHEQFZZYJGMPDN-HXUWFJFHSA-N 0 0 361.493 3.966 40 0 FHABRN COc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1-c1ccc(CO)o1 ZINC000020136982 220314292 /nfs/dbraw/zinc/31/42/92/220314292.db2.gz XJYMLCNXIVZUNO-UHFFFAOYSA-N 0 0 364.612 3.756 40 0 FHABRN COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000020025462 220308915 /nfs/dbraw/zinc/30/89/15/220308915.db2.gz XNPSPBKYLBGUBK-NSHDSACASA-N 0 0 364.239 3.957 40 0 FHABRN COc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000020049132 220309958 /nfs/dbraw/zinc/30/99/58/220309958.db2.gz RHRZIMOFIRBFAW-UHFFFAOYSA-N 0 0 370.474 3.662 40 0 FHABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000020029870 220310661 /nfs/dbraw/zinc/31/06/61/220310661.db2.gz YCXKJFSEJNPWHV-SNVBAGLBSA-N 0 0 358.232 3.628 40 0 FHABRN CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 ZINC000020048127 220310807 /nfs/dbraw/zinc/31/08/07/220310807.db2.gz WWURRHCITGBZLJ-GOSISDBHSA-N 0 0 372.490 3.551 40 0 FHABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000020460488 220327870 /nfs/dbraw/zinc/32/78/70/220327870.db2.gz SZDICFJYXSQMLE-MRXNPFEDSA-N 0 0 352.434 3.836 40 0 FHABRN C[C@H]1CC(=O)c2cn3nc(SCc4ccc(Cl)cc4)nc3nc2C1 ZINC000020632342 220337606 /nfs/dbraw/zinc/33/76/06/220337606.db2.gz RMSNQRUGBYHFPY-SNVBAGLBSA-N 0 0 358.854 3.835 40 0 FHABRN CCCCN1c2nc3ccccc3n2[C@H](C(C)C)[C@@H](C(=O)OCC)C1=O ZINC000020638152 220337609 /nfs/dbraw/zinc/33/76/09/220337609.db2.gz UEMPXKZNNQIKML-IAGOWNOFSA-N 0 0 357.454 3.559 40 0 FHABRN Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000020634999 220337140 /nfs/dbraw/zinc/33/71/40/220337140.db2.gz NLTBGIRWMMWXAV-UHFFFAOYSA-N 0 0 374.444 3.720 40 0 FHABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1OCC)cn2C ZINC000022237243 220379406 /nfs/dbraw/zinc/37/94/06/220379406.db2.gz RYQNLKWWEOCVGY-UHFFFAOYSA-N 0 0 366.417 3.588 40 0 FHABRN CCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(OC)ccc21 ZINC000022236099 220379826 /nfs/dbraw/zinc/37/98/26/220379826.db2.gz YWJBVIOBLHUWCQ-UHFFFAOYSA-N 0 0 358.344 3.561 40 0 FHABRN CCn1cc(C(=O)Nc2ccc(F)c(F)c2F)c(=O)c2cc(C)ccc21 ZINC000022234811 220380130 /nfs/dbraw/zinc/38/01/30/220380130.db2.gz XAZYWMLQZSOGQI-UHFFFAOYSA-N 0 0 360.335 3.999 40 0 FHABRN CCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2cc(Cl)ccc21 ZINC000022235053 220380192 /nfs/dbraw/zinc/38/01/92/220380192.db2.gz GSXMWIOABAXQNT-UHFFFAOYSA-N 0 0 358.800 3.744 40 0 FHABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000022508727 220388157 /nfs/dbraw/zinc/38/81/57/220388157.db2.gz HYVGFTORPPMCOV-NSHDSACASA-N 0 0 361.419 3.552 40 0 FHABRN O=C(CSCc1cccc(Cl)c1)NC[C@H]1COc2ccccc2O1 ZINC000025984579 220502009 /nfs/dbraw/zinc/50/20/09/220502009.db2.gz ZBAHQJLOMFCOJX-HNNXBMFYSA-N 0 0 363.866 3.529 40 0 FHABRN CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccn3)n2)cc1 ZINC000029517065 220608180 /nfs/dbraw/zinc/60/81/80/220608180.db2.gz GIOVGWJAGHLIOZ-UHFFFAOYSA-N 0 0 350.422 3.504 40 0 FHABRN Cc1ccc(COc2ccc(CO)cc2I)cc1 ZINC000034772837 220762180 /nfs/dbraw/zinc/76/21/80/220762180.db2.gz YUZWNJFRKLSWCU-UHFFFAOYSA-N 0 0 354.187 3.671 40 0 FHABRN COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1C ZINC000035289550 220776384 /nfs/dbraw/zinc/77/63/84/220776384.db2.gz UAPHPBATWNLFRH-QGZVFWFLSA-N 0 0 353.422 3.639 40 0 FHABRN COc1ccccc1[C@@H](OC(=O)c1ccco1)C(=O)NCc1ccccc1 ZINC000035289857 220776737 /nfs/dbraw/zinc/77/67/37/220776737.db2.gz BEJUSOHIZVVZSP-LJQANCHMSA-N 0 0 365.385 3.503 40 0 FHABRN CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2Cl)no1 ZINC000035316265 220778692 /nfs/dbraw/zinc/77/86/92/220778692.db2.gz AFOAYMGQSMNAPC-UHFFFAOYSA-N 0 0 357.797 3.970 40 0 FHABRN COc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)cc1 ZINC000036635637 220824484 /nfs/dbraw/zinc/82/44/84/220824484.db2.gz NIJDLGLOBNSYNV-CQSZACIVSA-N 0 0 365.216 3.746 40 0 FHABRN Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)cc1 ZINC000036635351 220824541 /nfs/dbraw/zinc/82/45/41/220824541.db2.gz CBSLTJPMADDWOO-HNNXBMFYSA-N 0 0 359.223 3.502 40 0 FHABRN COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)c(OC)c1 ZINC000257273393 533209616 /nfs/dbraw/zinc/20/96/16/533209616.db2.gz NGJKVKWNRILCPI-ZQHGGVFQSA-N 0 0 373.493 3.722 40 0 FHABRN CCOC(=O)c1ccccc1Nc1cc(N)nc(-c2ccc(F)cc2)n1 ZINC000049467984 221022707 /nfs/dbraw/zinc/02/27/07/221022707.db2.gz LIYRAHLKUMGVHV-UHFFFAOYSA-N 0 0 352.369 3.785 40 0 FHABRN Cc1c(C)c2c(cc1Br)C(=O)[C@H](N1CCC(C)CC1)CO2 ZINC000055125466 221059929 /nfs/dbraw/zinc/05/99/29/221059929.db2.gz RXSULNMRPZMYRP-OAHLLOKOSA-N 0 0 352.272 3.742 40 0 FHABRN CCN(CC)C(=O)c1cccc(NCCC(=O)c2ccc3c(c2)OCO3)c1 ZINC000055174965 221061575 /nfs/dbraw/zinc/06/15/75/221061575.db2.gz VNBUDGXHADQNRB-UHFFFAOYSA-N 0 0 368.433 3.582 40 0 biogenic,in-vitro FHABRN COc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1 ZINC000053536562 221047575 /nfs/dbraw/zinc/04/75/75/221047575.db2.gz JPQIWJYIAZVPAN-GOSISDBHSA-N 0 0 351.450 3.753 40 0 FHABRN Cc1cc(Br)c(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000054363101 221052465 /nfs/dbraw/zinc/05/24/65/221052465.db2.gz LVOPQUZBEAWURL-UHFFFAOYSA-N 0 0 374.687 3.889 40 0 FHABRN CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000057707674 221093063 /nfs/dbraw/zinc/09/30/63/221093063.db2.gz AYZUFSLWBHFIAK-INIZCTEOSA-N 0 0 350.462 3.862 40 0 FHABRN C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000058080810 221098492 /nfs/dbraw/zinc/09/84/92/221098492.db2.gz NJPDUKFFJWJUMQ-CYBMUJFWSA-N 0 0 351.381 3.786 40 0 FHABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(C)c1 ZINC000061240599 221133515 /nfs/dbraw/zinc/13/35/15/221133515.db2.gz JTXMJBWLTYPJNY-UHFFFAOYSA-N 0 0 359.429 3.881 40 0 FHABRN Cc1c2c(c(Cl)nc1-c1ccccc1)C(=NC[C@@H]1CCCO1)NC2=N ZINC000066091471 221240188 /nfs/dbraw/zinc/24/01/88/221240188.db2.gz OTORFRUNAWLKMO-ZDUSSCGKSA-N 0 0 354.841 3.565 40 0 FHABRN Cc1c2c(c(Cl)nc1-c1ccccc1)C(=NC[C@H]1CCCO1)NC2=N ZINC000066091472 221240498 /nfs/dbraw/zinc/24/04/98/221240498.db2.gz OTORFRUNAWLKMO-CYBMUJFWSA-N 0 0 354.841 3.565 40 0 FHABRN Cn1c2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)cc2sc1=O ZINC000068246990 221314072 /nfs/dbraw/zinc/31/40/72/221314072.db2.gz UPSFKGKMZTXRTM-UHFFFAOYSA-N 0 0 370.455 3.554 40 0 FHABRN O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072349777 221477177 /nfs/dbraw/zinc/47/71/77/221477177.db2.gz ZPWLCYSSBREMLD-OAHLLOKOSA-N 0 0 350.397 3.631 40 0 FHABRN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072354610 221478753 /nfs/dbraw/zinc/47/87/53/221478753.db2.gz FRFYMMYVECHYRK-GOSISDBHSA-N 0 0 362.408 3.842 40 0 FHABRN Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c1 ZINC000072358815 221480068 /nfs/dbraw/zinc/48/00/68/221480068.db2.gz SYSMNBVAJDFMPT-HXUWFJFHSA-N 0 0 372.472 3.796 40 0 FHABRN Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000072362094 221481966 /nfs/dbraw/zinc/48/19/66/221481966.db2.gz ASRAZVPXMBJEBF-UHFFFAOYSA-N 0 0 374.444 3.992 40 0 FHABRN Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccc(Cl)cc2)on1 ZINC000072396979 221494333 /nfs/dbraw/zinc/49/43/33/221494333.db2.gz VCJWTIGPUFJMQV-MRXNPFEDSA-N 0 0 370.840 3.689 40 0 FHABRN Cc1nc2cccnc2n1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000072365993 221484477 /nfs/dbraw/zinc/48/44/77/221484477.db2.gz RYCFEVWDDXLONJ-UHFFFAOYSA-N 0 0 359.433 3.698 40 0 FHABRN CO[C@H]1CCCOC12CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000257261443 533235131 /nfs/dbraw/zinc/23/51/31/533235131.db2.gz LHIJXYQFXOJIAD-HNNXBMFYSA-N 0 0 357.372 3.506 40 0 FHABRN Fc1cnc(N2CCC3(CN(c4cccnc4)c4ccccc43)CC2)nc1 ZINC000096078784 132218457 /nfs/dbraw/zinc/21/84/57/132218457.db2.gz NZPIBMMYQITLAV-UHFFFAOYSA-N 0 0 361.424 3.701 40 0 FHABRN O=C(NCCc1ccccn1)c1nc2c(s1)CCCN2c1ccccc1 ZINC000096146853 132220445 /nfs/dbraw/zinc/22/04/45/132220445.db2.gz AOINOFKUXKTJDW-UHFFFAOYSA-N 0 0 364.474 3.595 40 0 FHABRN COc1ccccc1N1CCN(C(=O)CCc2ccc(C)c(C)c2)CC1 ZINC000096621651 132225548 /nfs/dbraw/zinc/22/55/48/132225548.db2.gz IOOMLWUHJLNQQM-UHFFFAOYSA-N 0 0 352.478 3.593 40 0 FHABRN Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1 ZINC000000812964 132252062 /nfs/dbraw/zinc/25/20/62/132252062.db2.gz WGLZAJMYJXKRRG-UHFFFAOYSA-N 0 0 364.474 3.554 40 0 FHABRN Cc1ccc(C)c(N2CCN(C(=O)c3cc4sccc4n3C)CC2)c1 ZINC000004093119 132254341 /nfs/dbraw/zinc/25/43/41/132254341.db2.gz TZVAFPYJMDXQMG-UHFFFAOYSA-N 0 0 353.491 3.819 40 0 FHABRN Cc1ccc(CN2c3cc(C(=O)NC(C)C)ccc3OC(C)(C)C2=O)cc1 ZINC000004965829 132255831 /nfs/dbraw/zinc/25/58/31/132255831.db2.gz AZECKXIBQFKKEM-UHFFFAOYSA-N 0 0 366.461 3.837 40 0 FHABRN CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000216426072 132271199 /nfs/dbraw/zinc/27/11/99/132271199.db2.gz CEQYHGOCQXDGLE-IBGZPJMESA-N 0 0 356.441 3.640 40 0 FHABRN Cc1ccc(OCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000219861303 132275098 /nfs/dbraw/zinc/27/50/98/132275098.db2.gz OELPAHDQMOLLJL-UHFFFAOYSA-N 0 0 352.478 3.715 40 0 FHABRN COc1cccc(CCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 ZINC000219861054 132275214 /nfs/dbraw/zinc/27/52/14/132275214.db2.gz FUCVEVBBBVNYDZ-UHFFFAOYSA-N 0 0 366.505 3.969 40 0 FHABRN C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223196563 132278848 /nfs/dbraw/zinc/27/88/48/132278848.db2.gz FRDMDKXPDITDSH-INIZCTEOSA-N 0 0 350.462 3.503 40 0 FHABRN COc1ccc(CNC(=S)Nc2ccc(N3CCC[C@@H](C)C3)nc2)cc1 ZINC000223926714 132280526 /nfs/dbraw/zinc/28/05/26/132280526.db2.gz YCJUXYLUPODJMM-OAHLLOKOSA-N 0 0 370.522 3.813 40 0 FHABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000225015083 132284132 /nfs/dbraw/zinc/28/41/32/132284132.db2.gz IPKPBAFXHUSHCL-NRFANRHFSA-N 0 0 368.477 3.882 40 0 FHABRN Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCC(C)CC3)n2)cc1 ZINC000225944704 132287759 /nfs/dbraw/zinc/28/77/59/132287759.db2.gz YPOHBQNHWMWXMG-UHFFFAOYSA-N 0 0 369.538 3.816 40 0 FHABRN C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CCCCC3)n2)C1 ZINC000226009462 132287903 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