smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](CNC(=O)[O-])NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000824195965 603660896 /nfs/dbraw/zinc/66/08/96/603660896.db2.gz FXVJRBOPPKOXQE-GFCCVEGCSA-N -1 1 362.386 2.059 20 50 FEGDMM C[C@H](NC(=O)[O-])C1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1 ZINC000825289485 604079889 /nfs/dbraw/zinc/07/98/89/604079889.db2.gz YXNZDAJDLOEHHE-NSHDSACASA-N -1 1 374.397 2.155 20 50 FEGDMM C[C@@H](CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824680658 605396516 /nfs/dbraw/zinc/39/65/16/605396516.db2.gz YFJFCBDZSFNUGJ-NSHDSACASA-N -1 1 373.413 2.195 20 50 FEGDMM CC[C@H]1C[C@H](CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825182724 609413881 /nfs/dbraw/zinc/41/38/81/609413881.db2.gz LWFAESTVPLUSLN-MNOVXSKESA-N -1 1 363.422 2.017 20 50 FEGDMM Cc1ccc(C(=O)NN=c2[nH]c3ccccc3c(=O)[nH]2)cc1NC(=O)[O-] ZINC000830225100 604005136 /nfs/dbraw/zinc/00/51/36/604005136.db2.gz FOCDALYCJSPXNF-UHFFFAOYSA-N -1 1 353.338 2.491 20 50 FEGDMM O=C([O-])Nc1ccc(CC(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)cc1 ZINC000832841672 604005538 /nfs/dbraw/zinc/00/55/38/604005538.db2.gz KWTATKHPGYWFMS-UHFFFAOYSA-N -1 1 353.338 2.111 20 50 FEGDMM CN(CCNC(=O)NNc1cccc(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000833693575 605747393 /nfs/dbraw/zinc/74/73/93/605747393.db2.gz FLMDIUBGJHSRDO-UHFFFAOYSA-N -1 1 360.389 2.282 20 50 FEGDMM CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948453 608093090 /nfs/dbraw/zinc/09/30/90/608093090.db2.gz NIMLBMUOIMNHTJ-UHFFFAOYSA-N -1 1 356.411 2.156 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](F)Cc2ccccc2)o1 ZINC000824352958 609377510 /nfs/dbraw/zinc/37/75/10/609377510.db2.gz SGHIGKKARUROGR-LLVKDONJSA-N -1 1 359.365 2.002 20 50 FEGDMM O=C([O-])NC[C@@H](C(=O)NNc1ccnc2ccccc21)c1ccccc1 ZINC000832406949 603581527 /nfs/dbraw/zinc/58/15/27/603581527.db2.gz DRKXEGMNCZLAKN-OAHLLOKOSA-N -1 1 350.378 2.151 20 50 FEGDMM CCc1cccc(CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC000825722434 607711936 /nfs/dbraw/zinc/71/19/36/607711936.db2.gz GCKRMSYUCQGELY-UHFFFAOYSA-N -1 1 355.402 2.226 20 50 FEGDMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832148881 603606693 /nfs/dbraw/zinc/60/66/93/603606693.db2.gz VGEFUBSRAJAOCL-CQSZACIVSA-N -1 1 367.361 2.073 20 50 FEGDMM O=C([O-])NC1(CNC(=O)NNC(=O)c2cc3ccccc3o2)CCCCC1 ZINC000832222978 603642963 /nfs/dbraw/zinc/64/29/63/603642963.db2.gz GXPLVZWUXJUPPU-UHFFFAOYSA-N -1 1 374.397 2.347 20 50 FEGDMM C[C@@H](CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680419 604583035 /nfs/dbraw/zinc/58/30/35/604583035.db2.gz VPHNYFBQVICXIB-NWDGAFQWSA-N -1 1 373.413 2.195 20 50 FEGDMM Cc1noc(C)c1[C@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826338099 607818069 /nfs/dbraw/zinc/81/80/69/607818069.db2.gz KZSGWZIUDJWWNB-MRVPVSSYSA-N -1 1 374.405 2.220 20 50 FEGDMM COC1CCC(CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CC1 ZINC000826144523 607980327 /nfs/dbraw/zinc/98/03/27/607980327.db2.gz LUCFJLJZOLUVBF-UHFFFAOYSA-N -1 1 363.422 2.017 20 50 FEGDMM COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826181177 608092713 /nfs/dbraw/zinc/09/27/13/608092713.db2.gz ODXVIWVJFIKIMG-UHFFFAOYSA-N -1 1 372.410 2.099 20 50 FEGDMM Cc1cc(C(=O)NNc2ccnc3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000832864517 601756995 /nfs/dbraw/zinc/75/69/95/601756995.db2.gz LKZCJKMUYHHBTI-UHFFFAOYSA-N -1 1 365.389 2.494 20 50 FEGDMM CC[C@H]1C[C@@H](CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825182726 609413746 /nfs/dbraw/zinc/41/37/46/609413746.db2.gz LWFAESTVPLUSLN-QWRGUYRKSA-N -1 1 363.422 2.017 20 50 FEGDMM O=C([O-])Nc1cc(C(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)ccc1F ZINC000832820543 604005376 /nfs/dbraw/zinc/00/53/76/604005376.db2.gz FRGJXQAINZHTJH-UHFFFAOYSA-N -1 1 357.301 2.321 20 50 FEGDMM O=C([O-])N[C@H](CC(=O)NNc1ccnc2ccccc21)c1ccccc1 ZINC000834125143 605628576 /nfs/dbraw/zinc/62/85/76/605628576.db2.gz AIBWIIVSENJRSZ-QGZVFWFLSA-N -1 1 350.378 2.499 20 50 FEGDMM CC(C)(CC(=O)[O-])CC(=O)NN=c1nc(-c2ccccn2)[nH]c2c1CCC2 ZINC000833455563 605711105 /nfs/dbraw/zinc/71/11/05/605711105.db2.gz JJLWTCDSXYUBHW-UHFFFAOYSA-N -1 1 369.425 2.361 20 50 FEGDMM CC(=O)CCCCCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000823966962 608120009 /nfs/dbraw/zinc/12/00/09/608120009.db2.gz FKCKGHBPIUJLRH-UHFFFAOYSA-N -1 1 363.422 2.351 20 50 FEGDMM O=C([O-])Nc1cccc(CC(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)c1 ZINC000834266819 605846864 /nfs/dbraw/zinc/84/68/64/605846864.db2.gz JOEBXFFXHWHSCA-UHFFFAOYSA-N -1 1 353.338 2.111 20 50 FEGDMM O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823281503 606599722 /nfs/dbraw/zinc/59/97/22/606599722.db2.gz TVXLHJHRPFKAKY-UHFFFAOYSA-N -1 1 355.305 2.099 20 50 FEGDMM O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823281503 606599723 /nfs/dbraw/zinc/59/97/23/606599723.db2.gz TVXLHJHRPFKAKY-UHFFFAOYSA-N -1 1 355.305 2.099 20 50 FEGDMM CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1ccc(Br)s1 ZINC000833454541 605252166 /nfs/dbraw/zinc/25/21/66/605252166.db2.gz LXAULYGFSDMPLB-UHFFFAOYSA-N -1 1 363.233 2.163 20 50 FEGDMM C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833825409 606064205 /nfs/dbraw/zinc/06/42/05/606064205.db2.gz BSKDQCZEWCWFOY-KPZWWZAWSA-N -1 1 359.382 2.410 20 50 FEGDMM CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948424 608093290 /nfs/dbraw/zinc/09/32/90/608093290.db2.gz LWMYFIRPRUKLJI-SNVBAGLBSA-N -1 1 374.401 2.375 20 50 FEGDMM CCCc1c(C(=O)NN=c2[nH]c3ccccc3c(=O)[nH]2)[nH]c(C)c1C(=O)[O-] ZINC000829557253 602049527 /nfs/dbraw/zinc/04/95/27/602049527.db2.gz ZRKLEKNNPPNFOS-UHFFFAOYSA-N -1 1 369.381 2.380 20 50 FEGDMM CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823948238 608093187 /nfs/dbraw/zinc/09/31/87/608093187.db2.gz IMYWQGGJEHPXCW-JTQLQIEISA-N -1 1 374.401 2.375 20 50 FEGDMM O=C([O-])c1cc(C(=O)NNC(=O)c2cc3ccccc3o2)cc([N+](=O)[O-])c1 ZINC000833298557 601325401 /nfs/dbraw/zinc/32/54/01/601325401.db2.gz ZOVQDRSPNKIJLI-UHFFFAOYSA-N -1 1 369.289 2.114 20 50 FEGDMM O=C([O-])N[C@@H](CC(=O)NNc1ccnc2ccccc21)c1ccccc1 ZINC000834125140 605628633 /nfs/dbraw/zinc/62/86/33/605628633.db2.gz AIBWIIVSENJRSZ-KRWDZBQOSA-N -1 1 350.378 2.499 20 50 FEGDMM O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823280834 606643179 /nfs/dbraw/zinc/64/31/79/606643179.db2.gz GXZCDALZPVXIHC-UHFFFAOYSA-N -1 1 364.394 2.142 20 50 FEGDMM O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823280834 606643180 /nfs/dbraw/zinc/64/31/80/606643180.db2.gz GXZCDALZPVXIHC-UHFFFAOYSA-N -1 1 364.394 2.142 20 50 FEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1cccc2c1OCCO2 ZINC000826379085 608213826 /nfs/dbraw/zinc/21/38/26/608213826.db2.gz IQRYQOYGPVRAPS-CSKARUKUSA-N -1 1 365.374 2.489 20 50 FEGDMM O=C(NNc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826449589 607712728 /nfs/dbraw/zinc/71/27/28/607712728.db2.gz ZYMXNJBDTDISTM-UHFFFAOYSA-N -1 1 365.216 2.448 20 50 FEGDMM O=C(NNc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826449589 607712730 /nfs/dbraw/zinc/71/27/30/607712730.db2.gz ZYMXNJBDTDISTM-UHFFFAOYSA-N -1 1 365.216 2.448 20 50 FEGDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1cccc(C#N)c1 ZINC000826340722 607715847 /nfs/dbraw/zinc/71/58/47/607715847.db2.gz IJFVMMSQKGUNBC-UHFFFAOYSA-N -1 1 374.364 2.187 20 50 FEGDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNc1cccc(C#N)c1 ZINC000826340722 607715849 /nfs/dbraw/zinc/71/58/49/607715849.db2.gz IJFVMMSQKGUNBC-UHFFFAOYSA-N -1 1 374.364 2.187 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=Cc2ccnc(Cl)c2)o1 ZINC000824359621 608060326 /nfs/dbraw/zinc/06/03/26/608060326.db2.gz YRRTYNUTNGNORP-ONEGZZNKSA-N -1 1 374.792 2.183 20 50 FEGDMM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000832361748 605713852 /nfs/dbraw/zinc/71/38/52/605713852.db2.gz YECALAWOITUIFT-GXTWGEPZSA-N -1 1 373.413 2.385 20 50 FEGDMM O=C([O-])N[C@@H](CC(=O)NNc1ccnc2ccccc21)Cc1ccccc1 ZINC000832106160 603581871 /nfs/dbraw/zinc/58/18/71/603581871.db2.gz UVXPEUHYCCOWDN-OAHLLOKOSA-N -1 1 364.405 2.369 20 50 FEGDMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000824195966 603661147 /nfs/dbraw/zinc/66/11/47/603661147.db2.gz FXVJRBOPPKOXQE-LBPRGKRZSA-N -1 1 362.386 2.059 20 50 FEGDMM C[C@H](CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000824680657 605396582 /nfs/dbraw/zinc/39/65/82/605396582.db2.gz YFJFCBDZSFNUGJ-LLVKDONJSA-N -1 1 373.413 2.195 20 50 FEGDMM CCOC(=O)c1cnc(=NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)[nH]c1C ZINC000833860792 605441218 /nfs/dbraw/zinc/44/12/18/605441218.db2.gz GXALVKOUCADODU-UHFFFAOYSA-N -1 1 373.369 2.117 20 50 FEGDMM COc1ccc(CCC(=O)NN=C(C)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826191785 608095109 /nfs/dbraw/zinc/09/51/09/608095109.db2.gz PXOCTSCSWLWDLW-UHFFFAOYSA-N -1 1 370.438 2.410 20 50 FEGDMM O=C([O-])[C@]1(F)CCN(CCP(=O)(c2ccccc2)c2ccccc2)C1 ZINC000833174544 601553541 /nfs/dbraw/zinc/55/35/41/601553541.db2.gz HHLANRAKBJZURW-IBGZPJMESA-N -1 1 361.353 2.499 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2scnc2C2CC2)o1 ZINC000824358567 608027716 /nfs/dbraw/zinc/02/77/16/608027716.db2.gz NJYQNFNPTUABHK-UHFFFAOYSA-N -1 1 360.403 2.069 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cc(F)c(F)cc2F)o1 ZINC000824358254 607621126 /nfs/dbraw/zinc/62/11/26/607621126.db2.gz DVLODDWESAFCJL-UHFFFAOYSA-N -1 1 367.291 2.152 20 50 FEGDMM CCCC[C@H](CNC(=O)[O-])NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000826795076 603880139 /nfs/dbraw/zinc/88/01/39/603880139.db2.gz MPGUBXDKFVXPKV-GFCCVEGCSA-N -1 1 362.386 2.203 20 50 FEGDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000825229891 604279554 /nfs/dbraw/zinc/27/95/54/604279554.db2.gz WTFCAWYGNXNALR-AAEUAGOBSA-N -1 1 374.397 2.155 20 50 FEGDMM O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823281226 606931990 /nfs/dbraw/zinc/93/19/90/606931990.db2.gz OWFHSYATDBRIBZ-UHFFFAOYSA-N -1 1 350.169 2.325 20 50 FEGDMM O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823281226 606931991 /nfs/dbraw/zinc/93/19/91/606931991.db2.gz OWFHSYATDBRIBZ-UHFFFAOYSA-N -1 1 350.169 2.325 20 50 FEGDMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832148879 603497282 /nfs/dbraw/zinc/49/72/82/603497282.db2.gz VGEFUBSRAJAOCL-AWEZNQCLSA-N -1 1 367.361 2.073 20 50 FEGDMM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000826794822 603889750 /nfs/dbraw/zinc/88/97/50/603889750.db2.gz KMYCXVJGRXNOAI-ZDUSSCGKSA-N -1 1 373.413 2.005 20 50 FEGDMM O=C([O-])Nc1ccccc1CC(=O)NNC(=O)c1ccc(Cl)cc1O ZINC000834271985 606082385 /nfs/dbraw/zinc/08/23/85/606082385.db2.gz HVKPZOSUIAOZNE-UHFFFAOYSA-N -1 1 363.757 2.139 20 50 FEGDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1ccc(C#N)cc1 ZINC000826341058 607342090 /nfs/dbraw/zinc/34/20/90/607342090.db2.gz VBFIUDSBKRWBHI-UHFFFAOYSA-N -1 1 374.364 2.187 20 50 FEGDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNc1ccc(C#N)cc1 ZINC000826341058 607342092 /nfs/dbraw/zinc/34/20/92/607342092.db2.gz VBFIUDSBKRWBHI-UHFFFAOYSA-N -1 1 374.364 2.187 20 50 FEGDMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000834148608 605948647 /nfs/dbraw/zinc/94/86/47/605948647.db2.gz AJNSGLGMMIZCCW-SECBINFHSA-N -1 1 374.344 2.484 20 50 FEGDMM CC(=NNC(=O)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948223 608094230 /nfs/dbraw/zinc/09/42/30/608094230.db2.gz IAPBWTMVXSLFJJ-UHFFFAOYSA-N -1 1 356.411 2.238 20 50 FEGDMM COc1c(C)cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1C ZINC000826167340 608300464 /nfs/dbraw/zinc/30/04/64/608300464.db2.gz ZAOJFUBFOHNAPX-UHFFFAOYSA-N -1 1 371.401 2.360 20 50 FEGDMM O=C([O-])[C@@]1(F)CCN(CCP(=O)(c2ccccc2)c2ccccc2)C1 ZINC000833174547 601553390 /nfs/dbraw/zinc/55/33/90/601553390.db2.gz HHLANRAKBJZURW-LJQANCHMSA-N -1 1 361.353 2.499 20 50 FEGDMM C[C@H](CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824680421 604582800 /nfs/dbraw/zinc/58/28/00/604582800.db2.gz VPHNYFBQVICXIB-VXGBXAGGSA-N -1 1 373.413 2.195 20 50 FEGDMM CCc1ccccc1OCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825728736 608092009 /nfs/dbraw/zinc/09/20/09/608092009.db2.gz XVRPFRJLBOZMCK-UHFFFAOYSA-N -1 1 370.438 2.410 20 50 FEGDMM CCC[C@H]1C[C@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825252205 609151317 /nfs/dbraw/zinc/15/13/17/609151317.db2.gz HIGLIGITLVAOEV-MNOVXSKESA-N -1 1 363.422 2.017 20 50 FEGDMM O=C([O-])N[C@H](CC(=O)NNc1ccnc2ccccc21)Cc1ccccc1 ZINC000832106159 603581704 /nfs/dbraw/zinc/58/17/04/603581704.db2.gz UVXPEUHYCCOWDN-HNNXBMFYSA-N -1 1 364.405 2.369 20 50 FEGDMM O=C([O-])NCCC(=O)NNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000834228830 605845781 /nfs/dbraw/zinc/84/57/81/605845781.db2.gz QIYKDAQHMHVXEC-UHFFFAOYSA-N -1 1 351.746 2.019 20 50 FEGDMM O=C(NNc1cc(Cl)ccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823280691 606585781 /nfs/dbraw/zinc/58/57/81/606585781.db2.gz FCLHWVRHVJGEEK-UHFFFAOYSA-N -1 1 350.169 2.325 20 50 FEGDMM O=C(NNc1cc(Cl)ccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823280691 606585783 /nfs/dbraw/zinc/58/57/83/606585783.db2.gz FCLHWVRHVJGEEK-UHFFFAOYSA-N -1 1 350.169 2.325 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=Cc2ccnc(Cl)c2)o1 ZINC000824359620 608060199 /nfs/dbraw/zinc/06/01/99/608060199.db2.gz YRRTYNUTNGNORP-ARJAWSKDSA-N -1 1 374.792 2.183 20 50 FEGDMM CC(=NNC(=O)CCc1ccccc1O)c1ccc(-c2nn[n-]n2)s1 ZINC000823948123 608094148 /nfs/dbraw/zinc/09/41/48/608094148.db2.gz DIFSJWPFMYIIJJ-UHFFFAOYSA-N -1 1 356.411 2.107 20 50 FEGDMM CCC(CC)(CNC(=O)NNC(=O)c1cc2ccccc2o1)NC(=O)[O-] ZINC000826540602 604077295 /nfs/dbraw/zinc/07/72/95/604077295.db2.gz BCHIVISKFXREAE-UHFFFAOYSA-N -1 1 362.386 2.203 20 50 FEGDMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)NNc1nc(C(F)(F)F)cs1 ZINC000832757294 605948363 /nfs/dbraw/zinc/94/83/63/605948363.db2.gz AJNSGLGMMIZCCW-VIFPVBQESA-N -1 1 374.344 2.484 20 50 FEGDMM C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833825411 606063816 /nfs/dbraw/zinc/06/38/16/606063816.db2.gz BSKDQCZEWCWFOY-SGTLLEGYSA-N -1 1 359.382 2.410 20 50 FEGDMM CC(=O)c1ccc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c(F)c1 ZINC000824019501 609258281 /nfs/dbraw/zinc/25/82/81/609258281.db2.gz DLVYQMZBGMXPFP-UHFFFAOYSA-N -1 1 373.348 2.077 20 50 FEGDMM C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825171859 603643648 /nfs/dbraw/zinc/64/36/48/603643648.db2.gz OWKHCYLMCNZFEY-WCQYABFASA-N -1 1 374.397 2.155 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=Cc2ccc(Cl)nc2)o1 ZINC000824359561 607980286 /nfs/dbraw/zinc/98/02/86/607980286.db2.gz WXGLHJVWXXJNFW-GQCTYLIASA-N -1 1 374.792 2.183 20 50 FEGDMM CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948781 608091801 /nfs/dbraw/zinc/09/18/01/608091801.db2.gz XUKRXFGJNRTRJP-UHFFFAOYSA-N -1 1 370.438 2.464 20 50 FEGDMM O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826445103 608451834 /nfs/dbraw/zinc/45/18/34/608451834.db2.gz HASGKQUXFLPILG-UHFFFAOYSA-N -1 1 368.159 2.465 20 50 FEGDMM O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826445103 608451836 /nfs/dbraw/zinc/45/18/36/608451836.db2.gz HASGKQUXFLPILG-UHFFFAOYSA-N -1 1 368.159 2.465 20 50 FEGDMM O=C([O-])N[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000832751788 603498367 /nfs/dbraw/zinc/49/83/67/603498367.db2.gz IFYFBVQGNXQHDW-OAHLLOKOSA-N -1 1 353.334 2.203 20 50 FEGDMM O=C(NNc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823281230 606592223 /nfs/dbraw/zinc/59/22/23/606592223.db2.gz PFOPTNKDDJGWAO-UHFFFAOYSA-N -1 1 365.216 2.448 20 50 FEGDMM O=C(NNc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823281230 606592224 /nfs/dbraw/zinc/59/22/24/606592224.db2.gz PFOPTNKDDJGWAO-UHFFFAOYSA-N -1 1 365.216 2.448 20 50 FEGDMM CC(=NNC(=O)CNc1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823948282 608091484 /nfs/dbraw/zinc/09/14/84/608091484.db2.gz JHLHOAULVVMXDR-UHFFFAOYSA-N -1 1 359.390 2.020 20 50 FEGDMM Cc1cc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc(C)c1F ZINC000826260243 608120751 /nfs/dbraw/zinc/12/07/51/608120751.db2.gz CTGGTOJTIZGZKE-UHFFFAOYSA-N -1 1 359.365 2.491 20 50 FEGDMM O=C([O-])NC[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000832406906 603498496 /nfs/dbraw/zinc/49/84/96/603498496.db2.gz COAMSVHFIZARRP-AWEZNQCLSA-N -1 1 367.361 2.245 20 50 FEGDMM C[C@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825171856 603643502 /nfs/dbraw/zinc/64/35/02/603643502.db2.gz OWKHCYLMCNZFEY-AAEUAGOBSA-N -1 1 374.397 2.155 20 50 FEGDMM O=C([O-])N(CC(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000831450953 605388744 /nfs/dbraw/zinc/38/87/44/605388744.db2.gz LGOKBXVHZUZCBE-UHFFFAOYSA-N -1 1 353.334 2.378 20 50 FEGDMM O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823284425 606599815 /nfs/dbraw/zinc/59/98/15/606599815.db2.gz GZZOMUSTWIQYEG-UHFFFAOYSA-N -1 1 355.305 2.099 20 50 FEGDMM O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823284425 606599816 /nfs/dbraw/zinc/59/98/16/606599816.db2.gz GZZOMUSTWIQYEG-UHFFFAOYSA-N -1 1 355.305 2.099 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C=Cc2ccc(Cl)nc2)o1 ZINC000824359563 607980271 /nfs/dbraw/zinc/98/02/71/607980271.db2.gz WXGLHJVWXXJNFW-XQRVVYSFSA-N -1 1 374.792 2.183 20 50 FEGDMM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826256558 607396756 /nfs/dbraw/zinc/39/67/56/607396756.db2.gz PKCFLOSJSZMKCR-UHFFFAOYSA-N -1 1 374.202 2.090 20 50 FEGDMM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826256558 607396757 /nfs/dbraw/zinc/39/67/57/607396757.db2.gz PKCFLOSJSZMKCR-UHFFFAOYSA-N -1 1 374.202 2.090 20 50 FEGDMM CC[C@@H]1C[C@@H](CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825182727 609413785 /nfs/dbraw/zinc/41/37/85/609413785.db2.gz LWFAESTVPLUSLN-WDEREUQCSA-N -1 1 363.422 2.017 20 50 FEGDMM CCC[C@H]1C[C@@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825252207 609151086 /nfs/dbraw/zinc/15/10/86/609151086.db2.gz HIGLIGITLVAOEV-QWRGUYRKSA-N -1 1 363.422 2.017 20 50 FEGDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1cccc(F)c1 ZINC000826340534 607339730 /nfs/dbraw/zinc/33/97/30/607339730.db2.gz BJLNRSSGZCFENU-UHFFFAOYSA-N -1 1 367.344 2.455 20 50 FEGDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNc1cccc(F)c1 ZINC000826340534 607339731 /nfs/dbraw/zinc/33/97/31/607339731.db2.gz BJLNRSSGZCFENU-UHFFFAOYSA-N -1 1 367.344 2.455 20 50 FEGDMM O=C([O-])Nc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)c(O)c1 ZINC000832838035 603606776 /nfs/dbraw/zinc/60/67/76/603606776.db2.gz CPZGHXDYSUOAIO-UHFFFAOYSA-N -1 1 355.306 2.303 20 50 FEGDMM C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825171860 603643807 /nfs/dbraw/zinc/64/38/07/603643807.db2.gz OWKHCYLMCNZFEY-YPMHNXCESA-N -1 1 374.397 2.155 20 50 FEGDMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NNC(=O)c1cc3ccccc3o1)C2 ZINC000831742733 603669790 /nfs/dbraw/zinc/66/97/90/603669790.db2.gz PBPBTUGPUINKSQ-YHWZYXNKSA-N -1 1 372.381 2.050 20 50 FEGDMM O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1cc2ccccc2cc1[O-] ZINC000826444917 607882338 /nfs/dbraw/zinc/88/23/38/607882338.db2.gz ZGRWJORKPMHBDS-UHFFFAOYSA-N -1 1 358.361 2.489 20 50 FEGDMM CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948386 608091491 /nfs/dbraw/zinc/09/14/91/608091491.db2.gz KJANMOXCAYQFOS-UHFFFAOYSA-N -1 1 370.438 2.464 20 50 FEGDMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832514484 603667764 /nfs/dbraw/zinc/66/77/64/603667764.db2.gz NCKPUPASUPXZNT-OLZOCXBDSA-N -1 1 374.397 2.203 20 50 FEGDMM CCCC[C@H](CNC(=O)[O-])NC(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000826794821 603889282 /nfs/dbraw/zinc/88/92/82/603889282.db2.gz KMYCXVJGRXNOAI-CYBMUJFWSA-N -1 1 373.413 2.005 20 50 FEGDMM CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948505 608091762 /nfs/dbraw/zinc/09/17/62/608091762.db2.gz PSEOMMPPNRXHDH-UHFFFAOYSA-N -1 1 370.438 2.464 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2cnc(C(C)C)s2)o1 ZINC000824358163 607509383 /nfs/dbraw/zinc/50/93/83/607509383.db2.gz APQXXMVMJVRLOW-UHFFFAOYSA-N -1 1 362.419 2.315 20 50 FEGDMM CC(C)(CNC(=O)NN=c1[nH]cc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000826585928 601685148 /nfs/dbraw/zinc/68/51/48/601685148.db2.gz TVCJPAOEANDUKP-UHFFFAOYSA-N -1 1 354.716 2.491 20 50 FEGDMM Cc1cc2cc(C(=O)NNC(=O)NC3CCN(C(=O)[O-])CC3)oc2cc1C ZINC000830144602 602953055 /nfs/dbraw/zinc/95/30/55/602953055.db2.gz WSDHOBWAOUALAK-UHFFFAOYSA-N -1 1 374.397 2.136 20 50 FEGDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000825229892 604279654 /nfs/dbraw/zinc/27/96/54/604279654.db2.gz WTFCAWYGNXNALR-DGCLKSJQSA-N -1 1 374.397 2.155 20 50 FEGDMM O=C([O-])NCCCC(=O)NNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000834229710 605977999 /nfs/dbraw/zinc/97/79/99/605977999.db2.gz GYJJPKCSIVKECO-UHFFFAOYSA-N -1 1 365.773 2.409 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2CCC(F)(F)CC2)o1 ZINC000824352908 607980265 /nfs/dbraw/zinc/98/02/65/607980265.db2.gz RGFFPKSJCBHYPZ-UHFFFAOYSA-N -1 1 355.349 2.247 20 50 FEGDMM CC(=NNC(=O)NCCc1cccs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948521 608094452 /nfs/dbraw/zinc/09/44/52/608094452.db2.gz QKACCMLNYQIYTR-UHFFFAOYSA-N -1 1 361.456 2.256 20 50 FEGDMM O=C([O-])NCc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cc1 ZINC000832702869 603498093 /nfs/dbraw/zinc/49/80/93/603498093.db2.gz ZFEBAGOBYYDPJZ-UHFFFAOYSA-N -1 1 353.334 2.275 20 50 FEGDMM CCCC[C@@H](CNC(=O)[O-])NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000826795078 603879828 /nfs/dbraw/zinc/87/98/28/603879828.db2.gz MPGUBXDKFVXPKV-LBPRGKRZSA-N -1 1 362.386 2.203 20 50 FEGDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NNc2ccc(Cl)cc2Cl)n1 ZINC000826356787 608814218 /nfs/dbraw/zinc/81/42/18/608814218.db2.gz FVLBCWMOTSAEAX-UHFFFAOYSA-N -1 1 368.188 2.056 20 50 FEGDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NNc2ccc(Cl)cc2Cl)n1 ZINC000826356787 608814219 /nfs/dbraw/zinc/81/42/19/608814219.db2.gz FVLBCWMOTSAEAX-UHFFFAOYSA-N -1 1 368.188 2.056 20 50 FEGDMM CCC[C@@H]1C[C@@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825252209 609151241 /nfs/dbraw/zinc/15/12/41/609151241.db2.gz HIGLIGITLVAOEV-WDEREUQCSA-N -1 1 363.422 2.017 20 50 FEGDMM CCC[C@@H]1C[C@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825252203 609151484 /nfs/dbraw/zinc/15/14/84/609151484.db2.gz HIGLIGITLVAOEV-GHMZBOCLSA-N -1 1 363.422 2.017 20 50 FEGDMM O=C([O-])N[C@H](C(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000832789132 603498265 /nfs/dbraw/zinc/49/82/65/603498265.db2.gz IFYFBVQGNXQHDW-HNNXBMFYSA-N -1 1 353.334 2.203 20 50 FEGDMM CCN(CC)Cc1ccc(C(=O)NN=CC2CCN(C(=O)[O-])CC2)o1 ZINC000827046541 603857306 /nfs/dbraw/zinc/85/73/06/603857306.db2.gz WOTFABCGAMEXEA-UHFFFAOYSA-N -1 1 350.419 2.227 20 50 FEGDMM CCOC(=O)c1cnc(=NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)[nH]c1C ZINC000833860890 605440691 /nfs/dbraw/zinc/44/06/91/605440691.db2.gz HOBCYRSOSXCTMZ-UHFFFAOYSA-N -1 1 373.369 2.117 20 50 FEGDMM O=C([O-])Nc1cccc(CC(=O)NNC(=O)c2ccc(Cl)cc2O)c1 ZINC000834266688 605804059 /nfs/dbraw/zinc/80/40/59/605804059.db2.gz GVUYGSAGLBBLQR-UHFFFAOYSA-N -1 1 363.757 2.139 20 50 FEGDMM CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948523 608091604 /nfs/dbraw/zinc/09/16/04/608091604.db2.gz QMTRAYHJFONOTM-UHFFFAOYSA-N -1 1 355.427 2.189 20 50 FEGDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NNc2ccc(C(C)(C)C)cc2)n1 ZINC000826357188 609158512 /nfs/dbraw/zinc/15/85/12/609158512.db2.gz VKLGDJJPNJMVOA-UHFFFAOYSA-N -1 1 355.406 2.046 20 50 FEGDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NNc2ccc(C(C)(C)C)cc2)n1 ZINC000826357188 609158513 /nfs/dbraw/zinc/15/85/13/609158513.db2.gz VKLGDJJPNJMVOA-UHFFFAOYSA-N -1 1 355.406 2.046 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](F)Cc2ccccc2)o1 ZINC000824352959 609377902 /nfs/dbraw/zinc/37/79/02/609377902.db2.gz SGHIGKKARUROGR-NSHDSACASA-N -1 1 359.365 2.002 20 50 FEGDMM CC[C@@H]1C[C@H](CC(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)CCO1 ZINC000825182722 609414120 /nfs/dbraw/zinc/41/41/20/609414120.db2.gz LWFAESTVPLUSLN-GHMZBOCLSA-N -1 1 363.422 2.017 20 50 FEGDMM CCc1[nH]c(C(=O)NNC(=O)c2cc3ccccc3o2)c(C)c1C(=O)[O-] ZINC000830197827 601324858 /nfs/dbraw/zinc/32/48/58/601324858.db2.gz ZUWYKOWPNWTBDF-UHFFFAOYSA-N -1 1 355.350 2.405 20 50 FEGDMM O=C([O-])NCC(=O)NNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000834203161 605455576 /nfs/dbraw/zinc/45/55/76/605455576.db2.gz MFZKWAQQENZTSO-UHFFFAOYSA-N -1 1 362.194 2.237 20 50 FEGDMM Cc1noc(C)c1[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826338100 607817918 /nfs/dbraw/zinc/81/79/18/607817918.db2.gz KZSGWZIUDJWWNB-QMMMGPOBSA-N -1 1 374.405 2.220 20 50 FEGDMM CSc1nc(C2CC2)cc(C(=O)NNc2ccccn2)c1-c1nn[n-]n1 ZINC000826231180 609262256 /nfs/dbraw/zinc/26/22/56/609262256.db2.gz AIFDRLZZHKTIER-UHFFFAOYSA-N -1 1 368.426 2.013 20 50 FEGDMM CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000823948652 608093157 /nfs/dbraw/zinc/09/31/57/608093157.db2.gz TXGKHPNBBCEVJL-UHFFFAOYSA-N -1 1 365.422 2.492 20 50 FEGDMM O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1ccc(O)c(Cl)c1 ZINC000826445753 608576302 /nfs/dbraw/zinc/57/63/02/608576302.db2.gz ILTDFHVIWIAPDB-UHFFFAOYSA-N -1 1 366.168 2.031 20 50 FEGDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NNc1ccccc1F ZINC000826341092 607337924 /nfs/dbraw/zinc/33/79/24/607337924.db2.gz WISSGIOLNVXXRX-UHFFFAOYSA-N -1 1 367.344 2.455 20 50 FEGDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NNc1ccccc1F ZINC000826341092 607337926 /nfs/dbraw/zinc/33/79/26/607337926.db2.gz WISSGIOLNVXXRX-UHFFFAOYSA-N -1 1 367.344 2.455 20 50 FEGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1cccc2c1OCCO2 ZINC000826379086 608213631 /nfs/dbraw/zinc/21/36/31/608213631.db2.gz IQRYQOYGPVRAPS-NTMALXAHSA-N -1 1 365.374 2.489 20 50 FEGDMM O=C([O-])NC[C@@H](C(=O)NNC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000832406907 603498273 /nfs/dbraw/zinc/49/82/73/603498273.db2.gz COAMSVHFIZARRP-CQSZACIVSA-N -1 1 367.361 2.245 20 50 FEGDMM O=C([O-])N1CCSC[C@H]1CC(=O)NNc1nc(C(F)(F)F)cs1 ZINC000831414567 605328115 /nfs/dbraw/zinc/32/81/15/605328115.db2.gz PUHUEYSVPBYNFX-ZCFIWIBFSA-N -1 1 370.378 2.091 20 50 FEGDMM Cc1onc(CC(=O)NNc2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348599 609264328 /nfs/dbraw/zinc/26/43/28/609264328.db2.gz UYZIJTKSUISXLM-UHFFFAOYSA-N -1 1 355.402 2.146 20 50 FEGDMM Cc1onc(CC(=O)NNc2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826348599 609264329 /nfs/dbraw/zinc/26/43/29/609264329.db2.gz UYZIJTKSUISXLM-UHFFFAOYSA-N -1 1 355.402 2.146 20 50 FEGDMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832514486 603667775 /nfs/dbraw/zinc/66/77/75/603667775.db2.gz NCKPUPASUPXZNT-QWHCGFSZSA-N -1 1 374.397 2.203 20 50 FEGDMM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000831308793 604007094 /nfs/dbraw/zinc/00/70/94/604007094.db2.gz VPCJACQZNPXMKD-YOGCLGLASA-N -1 1 371.397 2.090 20 50 FEGDMM O=C([O-])Nc1ccccc1CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000834274470 606099865 /nfs/dbraw/zinc/09/98/65/606099865.db2.gz NZTUOMKCXPNVRE-UHFFFAOYSA-N -1 1 353.338 2.111 20 50 FEGDMM COc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000826187456 608094934 /nfs/dbraw/zinc/09/49/34/608094934.db2.gz QYVSQEULTAEUNM-UHFFFAOYSA-N -1 1 372.410 2.099 20 50 FEGDMM O=C([O-])NCC(=O)NNC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000834202793 605470052 /nfs/dbraw/zinc/47/00/52/605470052.db2.gz BMQCNWZMJHBFFF-UHFFFAOYSA-N -1 1 362.194 2.237 20 50 FEGDMM C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833825412 606063833 /nfs/dbraw/zinc/06/38/33/606063833.db2.gz BSKDQCZEWCWFOY-XIKOKIGWSA-N -1 1 359.382 2.410 20 50 FEGDMM CC(C)N(CCCNC(=O)NNC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000824346495 603647792 /nfs/dbraw/zinc/64/77/92/603647792.db2.gz IRROIFNAZXWTKB-UHFFFAOYSA-N -1 1 362.386 2.155 20 50 FEGDMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000825229894 604279679 /nfs/dbraw/zinc/27/96/79/604279679.db2.gz WTFCAWYGNXNALR-YPMHNXCESA-N -1 1 374.397 2.155 20 50 FEGDMM O=C([O-])N[C@H](CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)c1ccccc1 ZINC000834126793 605631936 /nfs/dbraw/zinc/63/19/36/605631936.db2.gz MILDVXWCDCIBED-CQSZACIVSA-N -1 1 367.365 2.178 20 50 FEGDMM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000832361751 605713700 /nfs/dbraw/zinc/71/37/00/605713700.db2.gz YECALAWOITUIFT-TZMCWYRMSA-N -1 1 373.413 2.385 20 50 FEGDMM C[C@@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000833825410 606063803 /nfs/dbraw/zinc/06/38/03/606063803.db2.gz BSKDQCZEWCWFOY-KZULUSFZSA-N -1 1 359.382 2.410 20 50 FEGDMM O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826445787 607824694 /nfs/dbraw/zinc/82/46/94/607824694.db2.gz KATUAVFHDNLWKT-UHFFFAOYSA-N -1 1 367.266 2.177 20 50 FEGDMM O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826445787 607824695 /nfs/dbraw/zinc/82/46/95/607824695.db2.gz KATUAVFHDNLWKT-UHFFFAOYSA-N -1 1 367.266 2.177 20 50 FEGDMM O=C(NNc1ccccc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000826449325 607340111 /nfs/dbraw/zinc/34/01/11/607340111.db2.gz MOZQMFHRCVXDQW-UHFFFAOYSA-N -1 1 365.216 2.448 20 50 FEGDMM O=C(NNc1ccccc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000826449325 607340113 /nfs/dbraw/zinc/34/01/13/607340113.db2.gz MOZQMFHRCVXDQW-UHFFFAOYSA-N -1 1 365.216 2.448 20 50 FEGDMM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826447700 607397054 /nfs/dbraw/zinc/39/70/54/607397054.db2.gz SFLJOJPSIWFZCR-UHFFFAOYSA-N -1 1 365.762 2.247 20 50 FEGDMM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826447700 607397056 /nfs/dbraw/zinc/39/70/56/607397056.db2.gz SFLJOJPSIWFZCR-UHFFFAOYSA-N -1 1 365.762 2.247 20 50 FEGDMM O=C([O-])C[C@@H]1CCCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000833210228 604509220 /nfs/dbraw/zinc/50/92/20/604509220.db2.gz RESRXJDQBSDEAN-QMMMGPOBSA-N -1 1 360.197 2.287 20 50 FEGDMM O=C([O-])c1ccc(CCC(=O)NN=c2[nH]c(=O)c3ccccc3[nH]2)cc1 ZINC000833102719 602049569 /nfs/dbraw/zinc/04/95/69/602049569.db2.gz WAVGBYHWWMIKKU-UHFFFAOYSA-N -1 1 352.350 2.110 20 50 FEGDMM CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948423 608093233 /nfs/dbraw/zinc/09/32/33/608093233.db2.gz LWMYFIRPRUKLJI-JTQLQIEISA-N -1 1 374.401 2.375 20 50 FEGDMM CC[C@@H](C)n1nc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1C ZINC000825081047 609378912 /nfs/dbraw/zinc/37/89/12/609378912.db2.gz DXBJXPYPUWRRSD-SECBINFHSA-N -1 1 373.421 2.211 20 50 FEGDMM CCN(CC)Cc1ccc(C(=O)NN=Cc2ccc(NC(=O)[O-])nc2)o1 ZINC000827046050 603487099 /nfs/dbraw/zinc/48/70/99/603487099.db2.gz OAWZSTIQEJWQQP-UHFFFAOYSA-N -1 1 359.386 2.370 20 50 FEGDMM O=C([N-]Nc1cccc(-c2nn[nH]n2)c1)C(F)(F)c1c(F)cccc1F ZINC000826447820 607943459 /nfs/dbraw/zinc/94/34/59/607943459.db2.gz XORQYPYTIXBSBX-UHFFFAOYSA-N -1 1 366.278 2.380 20 50 FEGDMM C[C@@H](CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680420 604582751 /nfs/dbraw/zinc/58/27/51/604582751.db2.gz VPHNYFBQVICXIB-RYUDHWBXSA-N -1 1 373.413 2.195 20 50 FEGDMM C[C@H](CC(=O)NN=c1[nH]c2ccccc2c(=O)[nH]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824680418 604583024 /nfs/dbraw/zinc/58/30/24/604583024.db2.gz VPHNYFBQVICXIB-NEPJUHHUSA-N -1 1 373.413 2.195 20 50 FEGDMM CC(=NNC(=O)COc1cccc(C)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948448 608091324 /nfs/dbraw/zinc/09/13/24/608091324.db2.gz NEFKJCAMCLIKTH-UHFFFAOYSA-N -1 1 356.411 2.156 20 50 FEGDMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832514482 603667543 /nfs/dbraw/zinc/66/75/43/603667543.db2.gz NCKPUPASUPXZNT-CHWSQXEVSA-N -1 1 374.397 2.203 20 50 FEGDMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cc2ccccc2o1 ZINC000832514489 603668011 /nfs/dbraw/zinc/66/80/11/603668011.db2.gz NCKPUPASUPXZNT-STQMWFEESA-N -1 1 374.397 2.203 20 50 FEGDMM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1ccnc3ccccc31)C2 ZINC000831308858 603886701 /nfs/dbraw/zinc/88/67/01/603886701.db2.gz WTLKPKFGETUNNE-AGUYFDCRSA-N -1 1 354.410 2.411 20 50 FEGDMM COc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000826187588 608092033 /nfs/dbraw/zinc/09/20/33/608092033.db2.gz XJPPTTIQKJQWPE-UHFFFAOYSA-N -1 1 372.410 2.099 20 50 FEGDMM CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948216 608094024 /nfs/dbraw/zinc/09/40/24/608094024.db2.gz HRSFHGVWIAHDGH-UHFFFAOYSA-N -1 1 369.454 2.497 20 50 FEGDMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)NNC(=O)c2cc3ccccc3o2)CC1 ZINC000825289484 604077596 /nfs/dbraw/zinc/07/75/96/604077596.db2.gz YXNZDAJDLOEHHE-LLVKDONJSA-N -1 1 374.397 2.155 20 50 FEGDMM Cc1cc(C(=O)NN=c2[nH]c3ccccc3c(=O)[nH]2)ccc1NC(=O)[O-] ZINC000829961550 605330244 /nfs/dbraw/zinc/33/02/44/605330244.db2.gz JSPGERXBJAOKLR-UHFFFAOYSA-N -1 1 353.338 2.491 20 50 FEGDMM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000832361749 605713939 /nfs/dbraw/zinc/71/39/39/605713939.db2.gz YECALAWOITUIFT-JSGCOSHPSA-N -1 1 373.413 2.385 20 50 FEGDMM CC(=NNC(=O)c1cc(Cl)ccc1[O-])c1ccc(-c2nn[nH]n2)s1 ZINC000823948210 608094096 /nfs/dbraw/zinc/09/40/96/608094096.db2.gz HKPMSBXHIWLOAW-UHFFFAOYSA-N -1 1 362.802 2.441 20 50 FEGDMM CC(C)(CNC(=O)NN=c1[nH]cc(C(F)(F)F)cc1Cl)NC(=O)[O-] ZINC000823941026 603457632 /nfs/dbraw/zinc/45/76/32/603457632.db2.gz AVNFVWDWICAVOI-UHFFFAOYSA-N -1 1 369.731 2.426 20 50 FEGDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NNC(=O)c2cc3ccccc3o2)C1 ZINC000825229893 604279719 /nfs/dbraw/zinc/27/97/19/604279719.db2.gz WTFCAWYGNXNALR-WCQYABFASA-N -1 1 374.397 2.155 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2c[nH]c3cccc(F)c23)o1 ZINC000824358239 608059831 /nfs/dbraw/zinc/05/98/31/608059831.db2.gz DADCFVITJMPUGP-UHFFFAOYSA-N -1 1 370.348 2.355 20 50 FEGDMM CC(=NNC(=O)c1c(C)nc2ccccn21)c1ccc(-c2nn[n-]n2)s1 ZINC000823948765 608091625 /nfs/dbraw/zinc/09/16/25/608091625.db2.gz XDFWYYCYNYZMRV-UHFFFAOYSA-N -1 1 366.410 2.038 20 50 FEGDMM CCC(CC)(CNC(=O)NNC(=O)c1ccc2ccccc2n1)NC(=O)[O-] ZINC000826541245 603548614 /nfs/dbraw/zinc/54/86/14/603548614.db2.gz SKPDEEKVVSIHIO-UHFFFAOYSA-N -1 1 373.413 2.005 20 50 FEGDMM CN(CC(C)(C)CNC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000828141984 604080443 /nfs/dbraw/zinc/08/04/43/604080443.db2.gz GWASXTFYWXLHSM-UHFFFAOYSA-N -1 1 362.386 2.013 20 50 FEGDMM C[C@@H](NC(=O)NNC(=O)c1cc2ccccc2o1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825171858 603643967 /nfs/dbraw/zinc/64/39/67/603643967.db2.gz OWKHCYLMCNZFEY-DGCLKSJQSA-N -1 1 374.397 2.155 20 50 FEGDMM CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953560 608092456 /nfs/dbraw/zinc/09/24/56/608092456.db2.gz GULXAMIHWKZKBW-UHFFFAOYSA-N -1 1 355.427 2.148 20 50 FEGDMM COc1ccccc1CC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000826219780 608094952 /nfs/dbraw/zinc/09/49/52/608094952.db2.gz QFYLSENYMJWULO-UHFFFAOYSA-N -1 1 356.411 2.020 20 50 FEGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)c2ccc3c(n2)CCCC3)o1 ZINC000824358842 607566573 /nfs/dbraw/zinc/56/65/73/607566573.db2.gz QHYNDZNYOJXHIM-UHFFFAOYSA-N -1 1 368.401 2.009 20 50 FEGDMM O=C([O-])C[C@H]1CCCN1C(=O)NNC(=O)c1c(Cl)cccc1Cl ZINC000833210227 604509045 /nfs/dbraw/zinc/50/90/45/604509045.db2.gz RESRXJDQBSDEAN-MRVPVSSYSA-N -1 1 360.197 2.287 20 50 FEGDMM CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc(Cl)c2[O-])o1 ZINC000824358282 608583618 /nfs/dbraw/zinc/58/36/18/608583618.db2.gz FTVOCEUTDRHQEE-UHFFFAOYSA-N -1 1 363.765 2.094 20 50 FEGDMM CC[C@H](C)n1nc(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)cc1C ZINC000825081048 609378381 /nfs/dbraw/zinc/37/83/81/609378381.db2.gz DXBJXPYPUWRRSD-VIFPVBQESA-N -1 1 373.421 2.211 20 50 FEGDMM O=C([O-])N[C@@H](CC(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1)c1ccccc1 ZINC000834126789 605631945 /nfs/dbraw/zinc/63/19/45/605631945.db2.gz MILDVXWCDCIBED-AWEZNQCLSA-N -1 1 367.365 2.178 20 50 FEGDMM CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823948239 608093314 /nfs/dbraw/zinc/09/33/14/608093314.db2.gz IMYWQGGJEHPXCW-SNVBAGLBSA-N -1 1 374.401 2.375 20 50 FEGDMM O=C(NNc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826447424 607712392 /nfs/dbraw/zinc/71/23/92/607712392.db2.gz FJUCVYLTINELPG-UHFFFAOYSA-N -1 1 350.169 2.325 20 50 FEGDMM O=C(NNc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826447424 607712393 /nfs/dbraw/zinc/71/23/93/607712393.db2.gz FJUCVYLTINELPG-UHFFFAOYSA-N -1 1 350.169 2.325 20 50 FEGDMM O=C([O-])N1CCSC[C@@H]1CC(=O)NNc1nc(C(F)(F)F)cs1 ZINC000831414566 605327785 /nfs/dbraw/zinc/32/77/85/605327785.db2.gz PUHUEYSVPBYNFX-LURJTMIESA-N -1 1 370.378 2.091 20 50 FEGDMM O=C([O-])N1CCC(NC(=O)NNC(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000834048511 605556682 /nfs/dbraw/zinc/55/66/82/605556682.db2.gz PBKCOECTXTWSTI-UHFFFAOYSA-N -1 1 372.381 2.033 20 50 FEGDMM O=C([N-]Nc1ccc(-c2nn[nH]n2)cc1)C(F)(F)c1c(F)cccc1F ZINC000826446674 607943348 /nfs/dbraw/zinc/94/33/48/607943348.db2.gz UOFRZZILSDWBEQ-UHFFFAOYSA-N -1 1 366.278 2.380 20 50 FEGDMM COc1ccccc1SCC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826221338 608054298 /nfs/dbraw/zinc/05/42/98/608054298.db2.gz ZZPPMEBQFRAJGE-UHFFFAOYSA-N -1 1 374.451 2.179 20 50 FEGDMM Cc1ccc(F)c(C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)c1F ZINC000826289083 608340894 /nfs/dbraw/zinc/34/08/94/608340894.db2.gz JVZJIUWPOOHDQJ-UHFFFAOYSA-N -1 1 363.328 2.322 20 50 FEGDMM CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823948790 608094272 /nfs/dbraw/zinc/09/42/72/608094272.db2.gz YCTKFKWPVDGXHT-UHFFFAOYSA-N -1 1 365.422 2.423 20 50 FEGDMM O=C([O-])c1ccc(CCNC(=O)NNC(=O)c2cc3ccccc3o2)cc1 ZINC000833145319 601332971 /nfs/dbraw/zinc/33/29/71/601332971.db2.gz CNTRHLCTBIMNHG-UHFFFAOYSA-N -1 1 367.361 2.318 20 50 FEGDMM O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826447788 607397070 /nfs/dbraw/zinc/39/70/70/607397070.db2.gz WEJOQBACNACMCA-UHFFFAOYSA-N -1 1 352.326 2.287 20 50 FEGDMM O=C(NNc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826447788 607397072 /nfs/dbraw/zinc/39/70/72/607397072.db2.gz WEJOQBACNACMCA-UHFFFAOYSA-N -1 1 352.326 2.287 20 50 FEGDMM O=C([O-])NC[C@H](C(=O)NNc1ccnc2ccccc21)c1ccccc1 ZINC000832406948 603581758 /nfs/dbraw/zinc/58/17/58/603581758.db2.gz DRKXEGMNCZLAKN-HNNXBMFYSA-N -1 1 350.378 2.151 20 50 FEGDMM O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823281031 606526793 /nfs/dbraw/zinc/52/67/93/606526793.db2.gz LZYWKFIZCHSNGR-UHFFFAOYSA-N -1 1 365.762 2.247 20 50 FEGDMM O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1 ZINC000823281031 606526795 /nfs/dbraw/zinc/52/67/95/606526795.db2.gz LZYWKFIZCHSNGR-UHFFFAOYSA-N -1 1 365.762 2.247 20 50 FEGDMM O=C([O-])NCC1(C(=O)NNc2nc(C(F)(F)F)cs2)CCCC1 ZINC000832443140 603803760 /nfs/dbraw/zinc/80/37/60/603803760.db2.gz QFIHWGTTZOPHBI-UHFFFAOYSA-N -1 1 352.338 2.433 20 50 FEGDMM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NN=c1[nH]c(=O)c2ccccc2[nH]1 ZINC000832361750 605713979 /nfs/dbraw/zinc/71/39/79/605713979.db2.gz YECALAWOITUIFT-OCCSQVGLSA-N -1 1 373.413 2.385 20 50 FEGDMM