smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCC(=O)N(C)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001571786568 1087123431 /nfs/dbraw/zinc/12/34/31/1087123431.db2.gz XJVBGEBUAJDMRC-UHFFFAOYSA-N -1 1 345.443 2.643 10 30 EFEEMM C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001571793199 1087128337 /nfs/dbraw/zinc/12/83/37/1087128337.db2.gz QSDIEYGBMOJEMS-UHFFFAOYSA-N -1 1 347.459 2.604 10 30 EFEEMM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001572032856 1087269570 /nfs/dbraw/zinc/26/95/70/1087269570.db2.gz IEYDPXPPTJCKRW-UONOGXRCSA-N -1 1 345.443 2.547 10 30 EFEEMM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001572034436 1087271631 /nfs/dbraw/zinc/27/16/31/1087271631.db2.gz SRMWLJAICOMNIP-UONOGXRCSA-N -1 1 345.443 2.547 10 30 EFEEMM C=C[C@](C)(CC)C(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001572506637 1087504337 /nfs/dbraw/zinc/50/43/37/1087504337.db2.gz ZPAVASACWZRPKB-LJQANCHMSA-N -1 1 347.459 2.699 10 30 EFEEMM C=CCn1cc2ccc(NC(=O)c3cnc(SC)[n-]c3=O)cc2n1 ZINC001646457770 1087780271 /nfs/dbraw/zinc/78/02/71/1087780271.db2.gz VUXFEYAYVUBWDL-UHFFFAOYSA-N -1 1 341.396 2.692 10 30 EFEEMM C=CCC(C)(C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001577743811 1090162461 /nfs/dbraw/zinc/16/24/61/1090162461.db2.gz DKCLICVSZHADKB-UHFFFAOYSA-N -1 1 345.443 2.500 10 30 EFEEMM C=C[C@H](CC)CC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001579269265 1090572716 /nfs/dbraw/zinc/57/27/16/1090572716.db2.gz GFJUIKFGJUIIAJ-WLYUNCDWSA-N -1 1 345.443 2.547 10 30 EFEEMM C=CCCCC(=O)NCC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001582876856 1091742329 /nfs/dbraw/zinc/74/23/29/1091742329.db2.gz MOHFGKHRVMDVOV-OAHLLOKOSA-N -1 1 345.443 2.645 10 30 EFEEMM Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001583480499 1092013298 /nfs/dbraw/zinc/01/32/98/1092013298.db2.gz BPMPHTATDISDSV-KRWDZBQOSA-N -1 1 346.390 2.711 10 30 EFEEMM N#Cc1cccc(O[N-]C(=O)c2cccnc2OCC(F)(F)F)c1 ZINC001648726106 1092260943 /nfs/dbraw/zinc/26/09/43/1092260943.db2.gz FDFQQTAIPFZYDE-UHFFFAOYSA-N -1 1 337.257 2.618 10 30 EFEEMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001648732683 1092262489 /nfs/dbraw/zinc/26/24/89/1092262489.db2.gz XQKNIYFMDQNSHX-GWCFXTLKSA-N -1 1 348.790 2.750 10 30 EFEEMM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001648732683 1092262500 /nfs/dbraw/zinc/26/25/00/1092262500.db2.gz XQKNIYFMDQNSHX-GWCFXTLKSA-N -1 1 348.790 2.750 10 30 EFEEMM COc1cc(C(=O)[N-]c2snc(C)c2C#N)c([N+](=O)[O-])cc1OC ZINC001585892580 1092611925 /nfs/dbraw/zinc/61/19/25/1092611925.db2.gz NMWHSGDDBPENFZ-UHFFFAOYSA-N -1 1 348.340 2.501 10 30 EFEEMM Cc1nsc([N-]C(=O)c2nc(Br)ccc2F)c1C#N ZINC001585892712 1092611941 /nfs/dbraw/zinc/61/19/41/1092611941.db2.gz OWPKEYAVGFUWPJ-UHFFFAOYSA-N -1 1 341.165 2.872 10 30 EFEEMM C=CCC(CC=C)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001631388013 1100394671 /nfs/dbraw/zinc/39/46/71/1100394671.db2.gz STADSDRXQVSJFI-AAEUAGOBSA-N -1 1 332.366 2.813 10 30 EFEEMM C=C[C@H](C)ONC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001631873664 1100435487 /nfs/dbraw/zinc/43/54/87/1100435487.db2.gz BNBHDTQGIJJESP-ZDUSSCGKSA-N -1 1 346.408 2.723 10 30 EFEEMM C=CC[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(=O)OCC ZINC001633797385 1100566422 /nfs/dbraw/zinc/56/64/22/1100566422.db2.gz OEHWNLASTPVVLS-NSHDSACASA-N -1 1 331.290 2.649 10 30 EFEEMM C=CCCC[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)OC ZINC001638401011 1100856509 /nfs/dbraw/zinc/85/65/09/1100856509.db2.gz DOZITYPEANSYCP-MRXNPFEDSA-N -1 1 343.379 2.879 10 30 EFEEMM O=C(Nc1ccc(Br)c([O-])c1)c1cccc(C#CCO)c1 ZINC001638628157 1100874526 /nfs/dbraw/zinc/87/45/26/1100874526.db2.gz KXKWTWRXHORQCI-UHFFFAOYSA-N -1 1 346.180 2.751 10 30 EFEEMM C=C[C@H](CC(=O)NCc1cc(=O)[n-]c(SC)n1)c1ccccc1 ZINC001640174587 1101020297 /nfs/dbraw/zinc/02/02/97/1101020297.db2.gz RPCCNLCXVHJXPH-GFCCVEGCSA-N -1 1 329.425 2.880 10 30 EFEEMM CN(C)c1cc(C#N)cc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001653566895 1101632301 /nfs/dbraw/zinc/63/23/01/1101632301.db2.gz FFSYEOLODGHNBU-UHFFFAOYSA-N -1 1 329.787 2.913 10 30 EFEEMM C#CC1([N-]S(=O)(=O)c2c(F)cccc2Br)CCCC1 ZINC001656624166 1102141647 /nfs/dbraw/zinc/14/16/47/1102141647.db2.gz FGNOMKWUISCFEV-UHFFFAOYSA-N -1 1 346.221 2.813 10 30 EFEEMM C=CCC[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC001661009953 1103065933 /nfs/dbraw/zinc/06/59/33/1103065933.db2.gz QXQPYUDXGOYPSP-AWEZNQCLSA-N -1 1 347.396 2.976 10 30 EFEEMM C=CCC[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccccc1 ZINC001661009954 1103072605 /nfs/dbraw/zinc/07/26/05/1103072605.db2.gz QXQPYUDXGOYPSP-CQSZACIVSA-N -1 1 347.396 2.976 10 30 EFEEMM C#CCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC001664380653 1104369728 /nfs/dbraw/zinc/36/97/28/1104369728.db2.gz IAJNISQTBQIWEK-UHFFFAOYSA-N -1 1 346.767 2.612 10 30 EFEEMM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(OC)ccc1[O-] ZINC001664401209 1104379104 /nfs/dbraw/zinc/37/91/04/1104379104.db2.gz GZIMGZWOHARALL-HNNXBMFYSA-N -1 1 347.436 2.867 10 30 EFEEMM C=CCCC1(C[N-]S(=O)(=O)c2csnc2OC)CCCC1 ZINC001665005777 1104610081 /nfs/dbraw/zinc/61/00/81/1104610081.db2.gz LGWYMDNJECJXQW-UHFFFAOYSA-N -1 1 330.475 2.957 10 30 EFEEMM C#CCC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCC1 ZINC001666345045 1104930794 /nfs/dbraw/zinc/93/07/94/1104930794.db2.gz WNUNSKUYDFJXLQ-UHFFFAOYSA-N -1 1 340.376 2.738 10 30 EFEEMM C=CC(C)(C)CC(=O)N[C@H](CCNC(=O)c1ncccc1[O-])C(C)C ZINC001679703928 1107666949 /nfs/dbraw/zinc/66/69/49/1107666949.db2.gz ACZQEZMVEJDVMM-CQSZACIVSA-N -1 1 347.459 2.650 10 30 EFEEMM C=C[C@](C)(CC)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001681016115 1108102006 /nfs/dbraw/zinc/10/20/06/1108102006.db2.gz DFYVHLPFFLTJMH-IFXJQAMLSA-N -1 1 347.459 2.650 10 30 EFEEMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(COC)o2)cc1 ZINC000128500675 1109268337 /nfs/dbraw/zinc/26/83/37/1109268337.db2.gz DKHCIVOXESRQLO-OAHLLOKOSA-N -1 1 326.352 2.950 10 30 EFEEMM C=C(C)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)OCC ZINC000916739312 1111979115 /nfs/dbraw/zinc/97/91/15/1111979115.db2.gz YKULHGOPXLXOOQ-GFCCVEGCSA-N -1 1 341.791 2.682 10 30 EFEEMM Cc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc3ncccc32)s1 ZINC000103783866 204086354 /nfs/dbraw/zinc/08/63/54/204086354.db2.gz PINYEYIWNWYZBX-GFCCVEGCSA-N -1 1 336.376 2.961 10 30 EFEEMM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1F ZINC000427762587 247391008 /nfs/dbraw/zinc/39/10/08/247391008.db2.gz HPUDTHOBFPBLNF-UHFFFAOYSA-N -1 1 334.307 2.514 10 30 EFEEMM Cc1cc([C@H]2CN(C(=O)c3ccc(C#N)c([O-])c3)CCO2)ccc1F ZINC000188743678 267363845 /nfs/dbraw/zinc/36/38/45/267363845.db2.gz FTZBKADYBOOWNC-GOSISDBHSA-N -1 1 340.354 2.925 10 30 EFEEMM Cc1cc(=O)[n-]c(NN=Cc2cccc3nc4ccccc4nc23)n1 ZINC000017186250 278623420 /nfs/dbraw/zinc/62/34/20/278623420.db2.gz OHEFXVFOVDWUMQ-VXLYETTFSA-N -1 1 330.351 2.621 10 30 EFEEMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC000184873277 473260775 /nfs/dbraw/zinc/26/07/75/473260775.db2.gz RLDKMTGHTYIJMO-UHFFFAOYSA-N -1 1 342.380 2.552 10 30 EFEEMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc21 ZINC000083577534 473351974 /nfs/dbraw/zinc/35/19/74/473351974.db2.gz SSZMDFGDQQUFPY-UHFFFAOYSA-N -1 1 346.799 2.899 10 30 EFEEMM C/C(=N\N=C1/NC(=O)C(CC(=O)[O-])S1)c1csc2ccccc12 ZINC000004709358 471472426 /nfs/dbraw/zinc/47/24/26/471472426.db2.gz QQHWMPNEWGDMAK-VQGSWFTOSA-N -1 1 347.421 2.688 10 30 EFEEMM Cc1cccc(/N=C2\NN=C(c3ccc([O-])c(C(N)=O)c3)CS2)c1 ZINC000015404543 471903435 /nfs/dbraw/zinc/90/34/35/471903435.db2.gz QMNRCZCCMLRYSL-UHFFFAOYSA-N -1 1 340.408 2.528 10 30 EFEEMM N#Cc1cccc(S(=O)(=O)c2cnc3c(F)cccc3c2[O-])c1 ZINC000015829350 471918788 /nfs/dbraw/zinc/91/87/88/471918788.db2.gz DYMWAVLDCCYCKL-UHFFFAOYSA-N -1 1 328.324 2.784 10 30 EFEEMM C[C@@H](C(=O)Nc1nc(S(C)(=O)=O)n[n-]1)c1ccc2ccccc2c1 ZINC000084631502 472201471 /nfs/dbraw/zinc/20/14/71/472201471.db2.gz KYIQEVTVLUUKDU-SNVBAGLBSA-N -1 1 344.396 2.753 10 30 EFEEMM C[C@@H](C(=O)Nc1nnc(S(C)(=O)=O)[n-]1)c1ccc2ccccc2c1 ZINC000084631502 472201476 /nfs/dbraw/zinc/20/14/76/472201476.db2.gz KYIQEVTVLUUKDU-SNVBAGLBSA-N -1 1 344.396 2.753 10 30 EFEEMM O=c1[nH]c2c(-c3nc4ccccc4s3)c([O-])cn2c2ccsc21 ZINC000102220549 472567558 /nfs/dbraw/zinc/56/75/58/472567558.db2.gz CKDSLDUJLPBFRV-UHFFFAOYSA-N -1 1 339.401 2.859 10 30 EFEEMM CCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OCC ZINC000104156426 472659223 /nfs/dbraw/zinc/65/92/23/472659223.db2.gz GPJGXGYXIHOPHI-POZKEBTKSA-N -1 1 344.363 2.712 10 30 EFEEMM N#CC1=C([O-])NC(=S)N(c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC000048523089 472885545 /nfs/dbraw/zinc/88/55/45/472885545.db2.gz ZBJXPBYUSKYRHP-CYBMUJFWSA-N -1 1 344.396 2.659 10 30 EFEEMM C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127032107 473570248 /nfs/dbraw/zinc/57/02/48/473570248.db2.gz ICZULTTYQSQLCX-SECBINFHSA-N -1 1 347.362 2.882 10 30 EFEEMM COc1ccc(CCCNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000188374504 474073718 /nfs/dbraw/zinc/07/37/18/474073718.db2.gz BMSLWQMRJLCTQY-UHFFFAOYSA-N -1 1 340.379 2.644 10 30 EFEEMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1[O-] ZINC000188641121 474151026 /nfs/dbraw/zinc/15/10/26/474151026.db2.gz RGWNHYPCOGONRA-CYBMUJFWSA-N -1 1 343.333 2.551 10 30 EFEEMM COc1ccc(-c2nnc([N-]C(=O)c3ccc(C#N)o3)s2)cc1 ZINC000344363790 474689711 /nfs/dbraw/zinc/68/97/11/474689711.db2.gz JEZWRAWSDLHHIU-UHFFFAOYSA-N -1 1 326.337 2.931 10 30 EFEEMM N#Cc1cc(S(=O)(=O)[N-]c2ncccc2F)ccc1C(F)(F)F ZINC000337125805 474718544 /nfs/dbraw/zinc/71/85/44/474718544.db2.gz FNFISOKEJKJGAY-UHFFFAOYSA-N -1 1 345.277 2.912 10 30 EFEEMM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(F)c1 ZINC000340974021 474837245 /nfs/dbraw/zinc/83/72/45/474837245.db2.gz ZKGGETJJCGONTF-UHFFFAOYSA-N -1 1 345.277 2.912 10 30 EFEEMM CC[C@H](C)n1[nH]c(=NC(=O)c2cc(C#N)c(SC)nc2[O-])cc1C ZINC000345060065 474856056 /nfs/dbraw/zinc/85/60/56/474856056.db2.gz PDGPWPKQNKEUHT-VIFPVBQESA-N -1 1 345.428 2.531 10 30 EFEEMM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C#N ZINC000314684479 474865594 /nfs/dbraw/zinc/86/55/94/474865594.db2.gz KPSSOHLNMXHRCU-UHFFFAOYSA-N -1 1 325.752 2.855 10 30 EFEEMM N#Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)ccc1Cl ZINC000341660978 475210722 /nfs/dbraw/zinc/21/07/22/475210722.db2.gz RITRFPYACIMFDQ-LLVKDONJSA-N -1 1 338.738 2.831 10 30 EFEEMM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2C1=O ZINC000340332336 475953334 /nfs/dbraw/zinc/95/33/34/475953334.db2.gz QHAOYIHBKWAZMM-UHFFFAOYSA-N -1 1 340.310 2.566 10 30 EFEEMM N#Cc1cnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000368920062 476379338 /nfs/dbraw/zinc/37/93/38/476379338.db2.gz GUEQSOXTZWFMOX-AWEZNQCLSA-N -1 1 343.818 2.784 10 30 EFEEMM C=CCOc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1Cl ZINC000354213780 476509135 /nfs/dbraw/zinc/50/91/35/476509135.db2.gz RJWJIEIHNMSSQV-UHFFFAOYSA-N -1 1 333.823 2.977 10 30 EFEEMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)o1 ZINC000376277062 477263773 /nfs/dbraw/zinc/26/37/73/477263773.db2.gz XSMUUWHVCLFDOK-INIZCTEOSA-N -1 1 328.349 2.812 10 30 EFEEMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1Cl ZINC000417594571 477457105 /nfs/dbraw/zinc/45/71/05/477457105.db2.gz IYFLXYCTZXOCAI-OAHLLOKOSA-N -1 1 335.791 2.554 10 30 EFEEMM Cc1csc(C(C#N)=C([O-])c2cccc(C(=O)NC3CC3)c2)n1 ZINC000527132144 478416292 /nfs/dbraw/zinc/41/62/92/478416292.db2.gz INYIBRASWQFMIH-AWEZNQCLSA-N -1 1 325.393 2.834 10 30 EFEEMM CC(=O)N1CCN(Cc2cccc(-c3cc(C#N)ccc3[O-])c2)CC1 ZINC000600795187 478525290 /nfs/dbraw/zinc/52/52/90/478525290.db2.gz VLYJCEGTOXQDFL-UHFFFAOYSA-N -1 1 335.407 2.595 10 30 EFEEMM C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]1C(=O)OC(C)(C)C ZINC000591802728 478633870 /nfs/dbraw/zinc/63/38/70/478633870.db2.gz FIDBYKSAHVBEJN-WBMJQRKESA-N -1 1 344.411 2.846 10 30 EFEEMM Cc1sc2[n-]c([C@H](C#N)C(=O)N[C@H](C)C3CC3)nc(=O)c2c1C ZINC000583059348 478751903 /nfs/dbraw/zinc/75/19/03/478751903.db2.gz WQBWJRRGWAFIQX-KCJUWKMLSA-N -1 1 330.413 2.536 10 30 EFEEMM 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O=C(Nc1n[n-]c(C(F)(F)F)n1)C(F)(F)c1cc(F)cc(F)c1 ZINC001462927831 1396461863 /nfs/dbraw/zinc/46/18/63/1396461863.db2.gz ZMPHWKXTSXXKNK-UHFFFAOYSA-N -1 1 342.174 2.832 10 30 EFEEMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(CC#N)c2)[n-]n1 ZINC001468131407 1396927941 /nfs/dbraw/zinc/92/79/41/1396927941.db2.gz VXUYHPUXOATWQH-UHFFFAOYSA-N -1 1 326.356 2.683 10 30 EFEEMM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001468940381 1396991978 /nfs/dbraw/zinc/99/19/78/1396991978.db2.gz TZPQCBDCLWEGRB-OAHLLOKOSA-N -1 1 338.436 2.935 10 30 EFEEMM Cc1cc(C#N)cc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC001468963901 1396993871 /nfs/dbraw/zinc/99/38/71/1396993871.db2.gz HRWBTQDSBWBTQI-UHFFFAOYSA-N -1 1 326.356 2.797 10 30 EFEEMM C=CCCONC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001470615982 1397102620 /nfs/dbraw/zinc/10/26/20/1397102620.db2.gz JMWXXQJOKLUSBS-UHFFFAOYSA-N -1 1 337.173 2.528 10 30 EFEEMM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)cc1[O-] ZINC001557210936 1415112956 /nfs/dbraw/zinc/11/29/56/1415112956.db2.gz TWLAAZAXLGFZRH-INIZCTEOSA-N -1 1 333.347 2.966 10 30 EFEEMM CCOc1cccc2c1OCC(C(=O)[N-]Oc1cccc(C#N)c1)=C2 ZINC001557920952 1415150881 /nfs/dbraw/zinc/15/08/81/1415150881.db2.gz JEMOLAMSYWEPLQ-UHFFFAOYSA-N -1 1 336.347 2.843 10 30 EFEEMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC)c(C#N)c2)c1 ZINC001558011443 1415154985 /nfs/dbraw/zinc/15/49/85/1415154985.db2.gz MRDHWEXLLRTACI-UHFFFAOYSA-N -1 1 337.335 2.649 10 30 EFEEMM Cc1[nH]nc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC001565631708 1415407362 /nfs/dbraw/zinc/40/73/62/1415407362.db2.gz WKDVXPKZIKIDBU-JTQLQIEISA-N -1 1 325.155 2.725 10 30 EFEEMM C=CCCC(=O)NCC[C@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001684613697 1416725625 /nfs/dbraw/zinc/72/56/25/1416725625.db2.gz ULNMKNKTJKTKSB-CABCVRRESA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001687660838 1416854299 /nfs/dbraw/zinc/85/42/99/1416854299.db2.gz YCTSUWWLXLBBTM-CABCVRRESA-N -1 1 345.443 2.643 10 30 EFEEMM C=CCCC(=O)NC[C@]1(NC(=O)c2ncccc2[O-])CCCC[C@H]1C ZINC001704727368 1418088489 /nfs/dbraw/zinc/08/84/89/1418088489.db2.gz CUPOGEHEJIKCFD-AUUYWEPGSA-N -1 1 345.443 2.548 10 30 EFEEMM C=CC1(CC(=O)N(C)CCNC(=O)c2ncccc2[O-])CCCCC1 ZINC001721073094 1423449095 /nfs/dbraw/zinc/44/90/95/1423449095.db2.gz BGONMFDZYTWATA-UHFFFAOYSA-N -1 1 345.443 2.502 10 30 EFEEMM C=CCC1(C(=O)NCCN(C)C(=O)c2ncccc2[O-])CCCCC1 ZINC001721087788 1423455586 /nfs/dbraw/zinc/45/55/86/1423455586.db2.gz SZVBWLNRRXNHCB-UHFFFAOYSA-N -1 1 345.443 2.502 10 30 EFEEMM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000912280555 1423942528 /nfs/dbraw/zinc/94/25/28/1423942528.db2.gz GXIKTZWLLWOLGI-SWLSCSKDSA-N -1 1 326.404 2.808 10 30 EFEEMM C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](CC)C1 ZINC001721985890 1424101276 /nfs/dbraw/zinc/10/12/76/1424101276.db2.gz AIPDPGFWOPYZIB-LSDHHAIUSA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCCC[C@@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)c1ccccc1 ZINC000907349679 1424949361 /nfs/dbraw/zinc/94/93/61/1424949361.db2.gz IYRQXAKAVNHLFX-GDBMZVCRSA-N -1 1 327.432 2.902 10 30 EFEEMM C=CC(C)(C)C(=O)N[C@@H](CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001726048424 1426042944 /nfs/dbraw/zinc/04/29/44/1426042944.db2.gz YKZMLDQZOWWSLT-AWEZNQCLSA-N -1 1 347.459 2.602 10 30 EFEEMM C=CCCC[C@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)c1ccccc1 ZINC000907349782 1426778508 /nfs/dbraw/zinc/77/85/08/1426778508.db2.gz IYRQXAKAVNHLFX-ZBFHGGJFSA-N -1 1 327.432 2.902 10 30 EFEEMM C=CCCCN(CC)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000890813834 713498675 /nfs/dbraw/zinc/49/86/75/713498675.db2.gz IUMGOXGDRREVAN-UHFFFAOYSA-N -1 1 330.432 2.799 10 30 EFEEMM C=C1CCC(CNC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)CC1 ZINC000926549027 716566817 /nfs/dbraw/zinc/56/68/17/716566817.db2.gz DHXFOJFRHXGPHP-OAHLLOKOSA-N -1 1 347.381 2.585 10 30 EFEEMM C=C1CC(C)(c2noc(Cc3c(C)nc(-c4ccncc4)[n-]c3=O)n2)C1 ZINC000896914134 723869972 /nfs/dbraw/zinc/86/99/72/723869972.db2.gz RPQKMJGLOZNJLY-UHFFFAOYSA-N -1 1 349.394 2.722 10 30 EFEEMM Cn1cc(C(F)F)c(C[N-]C(=O)C(F)(F)c2ccccc2C#N)n1 ZINC000913757243 725849886 /nfs/dbraw/zinc/84/98/86/725849886.db2.gz KQZHRIKMTOLGFS-UHFFFAOYSA-N -1 1 340.280 2.638 10 30 EFEEMM C=CC(C)(C)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000908460138 727190403 /nfs/dbraw/zinc/19/04/03/727190403.db2.gz MXDGGTWKCHSTNT-UHFFFAOYSA-N -1 1 339.642 2.740 10 30 EFEEMM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc([O-])c1Br ZINC000908711375 727249787 /nfs/dbraw/zinc/24/97/87/727249787.db2.gz XHIIYEOFMJWPGD-NSHDSACASA-N -1 1 341.205 2.564 10 30 EFEEMM C=C(Cl)C[C@H](NC(=O)c1ccc(CN2CCCCC2)o1)C(=O)[O-] ZINC000910266208 727425192 /nfs/dbraw/zinc/42/51/92/727425192.db2.gz OWKWKFRSARWPBO-ZDUSSCGKSA-N -1 1 340.807 2.591 10 30 EFEEMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1Cl ZINC000055545928 727945563 /nfs/dbraw/zinc/94/55/63/727945563.db2.gz UQFZYICRAZMKBU-UHFFFAOYSA-N -1 1 336.756 2.741 10 30 EFEEMM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000920553442 729199523 /nfs/dbraw/zinc/19/95/23/729199523.db2.gz AIDDSNPDTPFMRO-HNNXBMFYSA-N -1 1 348.449 2.864 10 30 EFEEMM C=CCCC[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)OC ZINC000921383828 729301918 /nfs/dbraw/zinc/30/19/18/729301918.db2.gz CUQSIPDIPHIPCQ-ZDUSSCGKSA-N -1 1 337.397 2.609 10 30 EFEEMM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001572034434 1087271354 /nfs/dbraw/zinc/27/13/54/1087271354.db2.gz SRMWLJAICOMNIP-KGLIPLIRSA-N -1 1 345.443 2.547 10 30 EFEEMM C=CC(C)(C)CC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001572522167 1087513820 /nfs/dbraw/zinc/51/38/20/1087513820.db2.gz JQWGPPUTMMZTKE-CQSZACIVSA-N -1 1 347.459 2.650 10 30 EFEEMM C=CC(C)(C)CC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001572522166 1087513857 /nfs/dbraw/zinc/51/38/57/1087513857.db2.gz JQWGPPUTMMZTKE-AWEZNQCLSA-N -1 1 347.459 2.650 10 30 EFEEMM C=C[C@@H](C)[C@H](C)C(=O)N(CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001649515327 1092552635 /nfs/dbraw/zinc/55/26/35/1092552635.db2.gz UMCIHFSGQZZGHK-CABCVRRESA-N -1 1 347.459 2.602 10 30 EFEEMM C=C(C)[C@H]([N-]S(=O)(=O)c1conc1C)c1ccc(F)c(F)c1 ZINC001211574026 1093351974 /nfs/dbraw/zinc/35/19/74/1093351974.db2.gz YZLLPMUDVQZFMR-AWEZNQCLSA-N -1 1 328.340 2.857 10 30 EFEEMM C=CCCCCCC[N-]S(=O)(=O)c1nc[nH]c1Br ZINC001622115667 1099479985 /nfs/dbraw/zinc/47/99/85/1099479985.db2.gz JJTJDNWIBPMLFW-UHFFFAOYSA-N -1 1 336.255 2.587 10 30 EFEEMM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001627448293 1099998776 /nfs/dbraw/zinc/99/87/76/1099998776.db2.gz JIOCBMNMUMHPOO-LBPRGKRZSA-N -1 1 327.290 2.863 10 30 EFEEMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001631142225 1100374457 /nfs/dbraw/zinc/37/44/57/1100374457.db2.gz OSMGJYTYRGZXGQ-UHFFFAOYSA-N -1 1 337.379 2.854 10 30 EFEEMM C=C(C)COCCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001631477340 1100402534 /nfs/dbraw/zinc/40/25/34/1100402534.db2.gz JZFUCNXTQIWDHP-UHFFFAOYSA-N -1 1 329.352 2.787 10 30 EFEEMM C=CCCO[N-]C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001634247006 1100592869 /nfs/dbraw/zinc/59/28/69/1100592869.db2.gz HFYBCTDGMPJVMA-JTQLQIEISA-N -1 1 343.210 2.970 10 30 EFEEMM C=CCCCNC(=O)c1ccc(I)cc1[O-] ZINC001634690378 1100624351 /nfs/dbraw/zinc/62/43/51/1100624351.db2.gz XBQCBDZGVRMPIQ-UHFFFAOYSA-N -1 1 331.153 2.693 10 30 EFEEMM C=CCCCCCCNC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001635112918 1100644208 /nfs/dbraw/zinc/64/42/08/1100644208.db2.gz BTAHJTSCYBFULJ-HNNXBMFYSA-N -1 1 349.397 2.975 10 30 EFEEMM C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)OCC ZINC001211883969 1100906171 /nfs/dbraw/zinc/90/61/71/1100906171.db2.gz PDIROIPYNAGZPU-GFCCVEGCSA-N -1 1 349.811 2.655 10 30 EFEEMM C=C[C@@H](CC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)c1ccccc1 ZINC001639279887 1100932950 /nfs/dbraw/zinc/93/29/50/1100932950.db2.gz ZNFZVGNIINTYID-AWEZNQCLSA-N -1 1 341.411 2.557 10 30 EFEEMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)c1 ZINC001639802693 1100984877 /nfs/dbraw/zinc/98/48/77/1100984877.db2.gz AUZLIQMLRPXBRW-UHFFFAOYSA-N -1 1 349.350 2.659 10 30 EFEEMM C#C[C@@](C)(CC)NC(=O)c1ccc(I)cc1[O-] ZINC001640971700 1101093151 /nfs/dbraw/zinc/09/31/51/1101093151.db2.gz ZRXUIPYGFULHDO-ZDUSSCGKSA-N -1 1 343.164 2.529 10 30 EFEEMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cnc(SC)[n-]c1=O ZINC001642540785 1101222189 /nfs/dbraw/zinc/22/21/89/1101222189.db2.gz MGXHLCYAQCRTCI-ZDUSSCGKSA-N -1 1 329.425 2.821 10 30 EFEEMM N#Cc1cccc(O[N-]C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 ZINC001643520732 1101305496 /nfs/dbraw/zinc/30/54/96/1101305496.db2.gz UFVYWBJCESXOPA-UHFFFAOYSA-N -1 1 349.306 2.580 10 30 EFEEMM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001662206848 1103622910 /nfs/dbraw/zinc/62/29/10/1103622910.db2.gz WMOJMZAMFWTCPT-ZCFIWIBFSA-N -1 1 325.173 2.754 10 30 EFEEMM C=CCC1([N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CCCCC1 ZINC001663349146 1104065650 /nfs/dbraw/zinc/06/56/50/1104065650.db2.gz YUSKLYCAOLYXRM-UHFFFAOYSA-N -1 1 341.429 2.932 10 30 EFEEMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001663436784 1104096085 /nfs/dbraw/zinc/09/60/85/1104096085.db2.gz JOJDYGYFDJJBMB-GFCCVEGCSA-N -1 1 334.210 2.668 10 30 EFEEMM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(OC)ccc1[O-] ZINC001664401210 1104379596 /nfs/dbraw/zinc/37/95/96/1104379596.db2.gz GZIMGZWOHARALL-OAHLLOKOSA-N -1 1 347.436 2.867 10 30 EFEEMM C#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC001211927735 1104623721 /nfs/dbraw/zinc/62/37/21/1104623721.db2.gz SIRGXVRXAJMZGA-UHFFFAOYSA-N -1 1 341.219 2.848 10 30 EFEEMM C=C1CN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC001670229167 1105600817 /nfs/dbraw/zinc/60/08/17/1105600817.db2.gz IMVPDIMDQNGKEG-UHFFFAOYSA-N -1 1 343.408 2.891 10 30 EFEEMM COC1(OC)CC2(CN(C(=O)c3cc([O-])cc(C#N)c3)[C@H]2C(C)C)C1 ZINC000898351117 1106329757 /nfs/dbraw/zinc/32/97/57/1106329757.db2.gz YUSAPGAIEQLUQJ-INIZCTEOSA-N -1 1 344.411 2.514 10 30 EFEEMM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904172502 1107689413 /nfs/dbraw/zinc/68/94/13/1107689413.db2.gz CSHQZMQDIJHGSV-MRXNPFEDSA-N -1 1 345.395 2.914 10 30 EFEEMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000435601879 249382931 /nfs/dbraw/zinc/38/29/31/249382931.db2.gz RLFRROOFGRLRQC-MFKMUULPSA-N -1 1 333.812 2.739 10 30 EFEEMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)C(F)(F)F ZINC000443929916 250238812 /nfs/dbraw/zinc/23/88/12/250238812.db2.gz QQZRFWYJHZRMLS-PRHODGIISA-N -1 1 338.326 2.953 10 30 EFEEMM Cc1ncc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1C#N ZINC000489692272 268085362 /nfs/dbraw/zinc/08/53/62/268085362.db2.gz SMQOTRNTPGAZNV-ZDUSSCGKSA-N -1 1 347.362 2.661 10 30 EFEEMM C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000408056473 300838459 /nfs/dbraw/zinc/83/84/59/300838459.db2.gz HVRBZRSNYKLFHH-GJYPPUQNSA-N -1 1 328.412 2.810 10 30 EFEEMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000567385955 319167011 /nfs/dbraw/zinc/16/70/11/319167011.db2.gz YHIFBAPWVNXHPU-ZDUSSCGKSA-N -1 1 348.346 2.744 10 30 EFEEMM C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(F)c1F)CC(=O)N2 ZINC000006748315 471565318 /nfs/dbraw/zinc/56/53/18/471565318.db2.gz STIHSRWQTFVTOF-SECBINFHSA-N -1 1 349.362 2.800 10 30 EFEEMM N#Cc1cccc(S(=O)(=O)c2c[n-]c3cc(F)ccc3c2=O)c1 ZINC000015828823 471918753 /nfs/dbraw/zinc/91/87/53/471918753.db2.gz ADKWKPXVGSKQLK-UHFFFAOYSA-N -1 1 328.324 2.784 10 30 EFEEMM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000026252838 472128857 /nfs/dbraw/zinc/12/88/57/472128857.db2.gz CTXHLLBQWQERFH-JTQLQIEISA-N -1 1 341.293 2.679 10 30 EFEEMM CC(=O)N[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000026252846 472129372 /nfs/dbraw/zinc/12/93/72/472129372.db2.gz CTXHLLBQWQERFH-SNVBAGLBSA-N -1 1 341.293 2.679 10 30 EFEEMM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)s1 ZINC000119521050 472562905 /nfs/dbraw/zinc/56/29/05/472562905.db2.gz KXWYQIUHHHWELP-LBPRGKRZSA-N -1 1 338.392 2.751 10 30 EFEEMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(-c2cccs2)on1 ZINC000103717514 472644574 /nfs/dbraw/zinc/64/45/74/472644574.db2.gz RKQDILMCQPLIIM-SNVBAGLBSA-N -1 1 338.348 2.759 10 30 EFEEMM N#Cc1ccsc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000188140509 473998256 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/nfs/dbraw/zinc/70/95/58/1334709558.db2.gz NMTIMINYJWXRQQ-SECBINFHSA-N -1 1 334.449 2.970 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001356511790 1335046553 /nfs/dbraw/zinc/04/65/53/1335046553.db2.gz OLUUGBZEPUSOBW-KGLIPLIRSA-N -1 1 342.447 2.966 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001356511393 1335046708 /nfs/dbraw/zinc/04/67/08/1335046708.db2.gz LETOZTYTUZKVJP-CQSZACIVSA-N -1 1 342.447 2.966 10 30 EFEEMM CCCN1Cc2cccc(NC(=O)c3[n-]c(=O)c(C#N)cc3C)c2C1 ZINC001362020224 1336467188 /nfs/dbraw/zinc/46/71/88/1336467188.db2.gz UDQFIDQLZSYWJN-UHFFFAOYSA-N -1 1 336.395 2.945 10 30 EFEEMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001362028835 1336471110 /nfs/dbraw/zinc/47/11/10/1336471110.db2.gz KJCKXFZAGDTJJR-QGZVFWFLSA-N -1 1 339.370 2.554 10 30 EFEEMM CCOc1cc(C(=O)NCc2ccnc(C#N)c2)cc(Cl)c1[O-] ZINC001362619376 1336676745 /nfs/dbraw/zinc/67/67/45/1336676745.db2.gz IKFXFUUJOMXUSO-UHFFFAOYSA-N -1 1 331.759 2.641 10 30 EFEEMM CSc1ncc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(=O)[n-]1 ZINC001362809927 1336750914 /nfs/dbraw/zinc/75/09/14/1336750914.db2.gz ORVCVSAISJWLQX-JTQLQIEISA-N -1 1 328.397 2.609 10 30 EFEEMM N#Cc1ccc(C(=O)NC[C@H]2CSc3ccccc3O2)cc1[O-] ZINC001363130615 1336797532 /nfs/dbraw/zinc/79/75/32/1336797532.db2.gz VSBDPOXCCLQSNA-ZDUSSCGKSA-N -1 1 326.377 2.547 10 30 EFEEMM N#Cc1ccc(C(=O)NC[C@@H]2CSc3ccccc3O2)cc1[O-] ZINC001363130611 1336797668 /nfs/dbraw/zinc/79/76/68/1336797668.db2.gz VSBDPOXCCLQSNA-CYBMUJFWSA-N -1 1 326.377 2.547 10 30 EFEEMM N#Cc1ccc(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)cc1[O-] ZINC001363524594 1336916789 /nfs/dbraw/zinc/91/67/89/1336916789.db2.gz JCPFQFBAOKDMIE-UHFFFAOYSA-N -1 1 332.262 2.515 10 30 EFEEMM N#Cc1ccc(C2CCN(C(=O)c3cccc([O-])c3F)CC2)nc1 ZINC001363550709 1336927241 /nfs/dbraw/zinc/92/72/41/1336927241.db2.gz ZAEHTYFTXUCDTI-UHFFFAOYSA-N -1 1 325.343 2.818 10 30 EFEEMM N#Cc1ccc([C@@H]2CN(C(=O)c3ccc([O-])c(F)c3)CCO2)cc1 ZINC001363780875 1337041640 /nfs/dbraw/zinc/04/16/40/1337041640.db2.gz OWSKWIOVOVFFFE-KRWDZBQOSA-N -1 1 326.327 2.617 10 30 EFEEMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)C(=O)OCC ZINC001365453308 1337227283 /nfs/dbraw/zinc/22/72/83/1337227283.db2.gz SPVXXAGRSPDNSY-GFCCVEGCSA-N -1 1 339.885 2.662 10 30 EFEEMM C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001492881251 1361210922 /nfs/dbraw/zinc/21/09/22/1361210922.db2.gz SVUDSLNEBZDQFH-CABCVRRESA-N -1 1 345.443 2.643 10 30 EFEEMM N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001418922528 1374687698 /nfs/dbraw/zinc/68/76/98/1374687698.db2.gz NBDDTBBPMGUMOV-SFHVURJKSA-N -1 1 325.343 2.624 10 30 EFEEMM N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001418922527 1374688171 /nfs/dbraw/zinc/68/81/71/1374688171.db2.gz NBDDTBBPMGUMOV-GOSISDBHSA-N -1 1 325.343 2.624 10 30 EFEEMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001451993315 1392862465 /nfs/dbraw/zinc/86/24/65/1392862465.db2.gz CBHWSKOORBPEQX-LLVKDONJSA-N -1 1 337.408 2.723 10 30 EFEEMM C#CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1 ZINC001464355823 1396567563 /nfs/dbraw/zinc/56/75/63/1396567563.db2.gz OWQBBOWCDOSHFW-UHFFFAOYSA-N -1 1 346.767 2.612 10 30 EFEEMM C#Cc1cccc(N(C)C(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC001464872899 1396624506 /nfs/dbraw/zinc/62/45/06/1396624506.db2.gz TYBMJDRHFVPDGR-UHFFFAOYSA-N -1 1 329.359 2.899 10 30 EFEEMM C#CCOc1ccc(NC(=O)c2cc(NC(=O)C=C)ccc2[O-])cc1 ZINC001465094823 1396648969 /nfs/dbraw/zinc/64/89/69/1396648969.db2.gz YAKCONMNVZIHCX-UHFFFAOYSA-N -1 1 336.347 2.781 10 30 EFEEMM N#C[C@@H]1CSCCN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001466486869 1396756571 /nfs/dbraw/zinc/75/65/71/1396756571.db2.gz TZXAULUGFURRPG-GFCCVEGCSA-N -1 1 342.376 2.546 10 30 EFEEMM COc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1C#N ZINC001471192650 1397149897 /nfs/dbraw/zinc/14/98/97/1397149897.db2.gz ULKHOEAIEFPUTF-UHFFFAOYSA-N -1 1 345.786 2.925 10 30 EFEEMM C=C(C)C[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001475217459 1397410211 /nfs/dbraw/zinc/41/02/11/1397410211.db2.gz ORCDQRBYPXLEFQ-UHFFFAOYSA-N -1 1 326.162 2.582 10 30 EFEEMM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC001475646578 1397444585 /nfs/dbraw/zinc/44/45/85/1397444585.db2.gz RDHRYVLXJZQIGC-UHFFFAOYSA-N -1 1 329.418 2.645 10 30 EFEEMM C=C(C)CCC(=O)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001509359909 1407938809 /nfs/dbraw/zinc/93/88/09/1407938809.db2.gz WTSHKLMIMYINBD-OAHLLOKOSA-N -1 1 345.443 2.645 10 30 EFEEMM C=CC(C)(C)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001511785140 1413138793 /nfs/dbraw/zinc/13/87/93/1413138793.db2.gz VBANKVFVTTUUAY-AWEZNQCLSA-N -1 1 347.459 2.650 10 30 EFEEMM COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1ccc(C#N)c([O-])c1 ZINC001557111823 1415106362 /nfs/dbraw/zinc/10/63/62/1415106362.db2.gz CMXNKOVWKYJBEF-XMMPIXPASA-N -1 1 345.376 2.538 10 30 EFEEMM N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ncco2)cc1[O-] ZINC001557210937 1415112971 /nfs/dbraw/zinc/11/29/71/1415112971.db2.gz TWLAAZAXLGFZRH-MRXNPFEDSA-N -1 1 333.347 2.966 10 30 EFEEMM N#Cc1ccccc1CSCCNC(=O)c1c([O-])c(O)ccc1F ZINC001558900738 1415210473 /nfs/dbraw/zinc/21/04/73/1415210473.db2.gz GJLTXZZGIJQFPW-UHFFFAOYSA-N -1 1 346.383 2.772 10 30 EFEEMM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)Cc2ccccc2C(=O)O1 ZINC001559037439 1415219410 /nfs/dbraw/zinc/21/94/10/1415219410.db2.gz XBCDYCOFLWLURV-SFHVURJKSA-N -1 1 329.327 2.715 10 30 EFEEMM C=CCCC(=O)NC[C@]1(NC(=O)c2ncccc2[O-])CCCC[C@@H]1C ZINC001704727369 1418088845 /nfs/dbraw/zinc/08/88/45/1418088845.db2.gz CUPOGEHEJIKCFD-IFXJQAMLSA-N -1 1 345.443 2.548 10 30 EFEEMM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Nc2nn[n-]n2)c1 ZINC000912280556 1429281475 /nfs/dbraw/zinc/28/14/75/1429281475.db2.gz GXIKTZWLLWOLGI-WFASDCNBSA-N -1 1 326.404 2.808 10 30 EFEEMM C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001719479861 1422730090 /nfs/dbraw/zinc/73/00/90/1422730090.db2.gz FYSMRVUPQDLWFZ-GJZGRUSLSA-N -1 1 345.443 2.500 10 30 EFEEMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC001122400475 1450097976 /nfs/dbraw/zinc/09/79/76/1450097976.db2.gz QTINGWYFJFHOEJ-CQSZACIVSA-N -1 1 342.451 2.583 10 30 EFEEMM N#CC[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(F)(F)F ZINC000928804954 724753875 /nfs/dbraw/zinc/75/38/75/724753875.db2.gz KOEQXGLGHZFQDT-VIFPVBQESA-N -1 1 326.196 2.985 10 30 EFEEMM N#CC[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(F)(F)F ZINC000928813103 724784255 /nfs/dbraw/zinc/78/42/55/724784255.db2.gz UKBTYSWNELNIMB-SECBINFHSA-N -1 1 337.095 2.729 10 30 EFEEMM N#CC[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(F)(F)F ZINC000928816291 724800410 /nfs/dbraw/zinc/80/04/10/724800410.db2.gz WRGZLPIUUWHCGN-SECBINFHSA-N -1 1 337.095 2.729 10 30 EFEEMM C#C[C@@](C)(CC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000908529035 727203459 /nfs/dbraw/zinc/20/34/59/727203459.db2.gz IEHPASZEDUYIMD-LBPRGKRZSA-N -1 1 331.160 2.854 10 30 EFEEMM C#CCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000788046758 727166153 /nfs/dbraw/zinc/16/61/53/727166153.db2.gz BGKCBLNJNXRSDL-UHFFFAOYSA-N -1 1 340.601 2.543 10 30 EFEEMM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000908747620 727254357 /nfs/dbraw/zinc/25/43/57/727254357.db2.gz OCUHPXNRGPUYMT-HUUCEWRRSA-N -1 1 349.431 2.525 10 30 EFEEMM CO[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)[C@H]1CCOC1 ZINC000901379200 729181918 /nfs/dbraw/zinc/18/19/18/729181918.db2.gz RQYAVWDQXCJLBC-GWCFXTLKSA-N -1 1 334.199 2.763 10 30 EFEEMM C=C1CCC(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC001570857177 1086571986 /nfs/dbraw/zinc/57/19/86/1086571986.db2.gz XAOHCHZFYISCLK-AAEUAGOBSA-N -1 1 332.366 2.791 10 30 EFEEMM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001572034439 1087271463 /nfs/dbraw/zinc/27/14/63/1087271463.db2.gz SRMWLJAICOMNIP-ZIAGYGMSSA-N -1 1 345.443 2.547 10 30 EFEEMM C=C(C)CCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001582887757 1091759018 /nfs/dbraw/zinc/75/90/18/1091759018.db2.gz SHHWWCGLMZOGGT-CABCVRRESA-N -1 1 345.443 2.500 10 30 EFEEMM CCOC(=O)c1nc(NC(=O)C=Cc2ccccc2C#N)[n-]c1Cl ZINC001584872829 1092314938 /nfs/dbraw/zinc/31/49/38/1092314938.db2.gz QOINVVCQTKOCGR-BQYQJAHWSA-N -1 1 344.758 2.763 10 30 EFEEMM C=C(C)[C@H](CC(=O)Nc1nc(C(=O)OCC)c(Cl)[n-]1)OCC ZINC001584879121 1092315981 /nfs/dbraw/zinc/31/59/81/1092315981.db2.gz KCFLCCZEIBZJPP-VIFPVBQESA-N -1 1 329.784 2.550 10 30 EFEEMM C=C[C@@H](C)[C@@H](C)C(=O)N(CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001649515329 1092552208 /nfs/dbraw/zinc/55/22/08/1092552208.db2.gz UMCIHFSGQZZGHK-HUUCEWRRSA-N -1 1 347.459 2.602 10 30 EFEEMM N#CC1(CC(=O)Nc2ccc(Br)c([O-])c2)CCOCC1 ZINC001649896053 1092772887 /nfs/dbraw/zinc/77/28/87/1092772887.db2.gz JIZOSAXGWCOUOK-UHFFFAOYSA-N -1 1 339.189 2.804 10 30 EFEEMM O=C(CCCc1nn[n-]n1)Nc1cccc(C#Cc2ccccc2)c1 ZINC001587888032 1092866224 /nfs/dbraw/zinc/86/62/24/1092866224.db2.gz JJUDLCOISVVOPG-UHFFFAOYSA-N -1 1 331.379 2.561 10 30 EFEEMM C=CCn1ncc2ccc(NC(=O)c3cnc(SC)[n-]c3=O)cc21 ZINC001598315595 1094670147 /nfs/dbraw/zinc/67/01/47/1094670147.db2.gz GVRLSDXFYURLGM-UHFFFAOYSA-N -1 1 341.396 2.692 10 30 EFEEMM C=CCn1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)nn1 ZINC001610428922 1098672113 /nfs/dbraw/zinc/67/21/13/1098672113.db2.gz IWNXGIXPIOULPN-UHFFFAOYSA-N -1 1 344.425 2.719 10 30 EFEEMM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(C#N)cn1 ZINC001625033268 1099761780 /nfs/dbraw/zinc/76/17/80/1099761780.db2.gz YGSPALOEKOHSSY-UHFFFAOYSA-N -1 1 332.157 2.982 10 30 EFEEMM C=CCC[C@H](NC(=O)c1ncc2ccccc2c1[O-])C(=O)OCC ZINC001627751941 1100030010 /nfs/dbraw/zinc/03/00/10/1100030010.db2.gz JJZUXTYARGZQNX-AWEZNQCLSA-N -1 1 328.368 2.568 10 30 EFEEMM C=CCN(CC=C)C(=O)c1ccc(I)cc1[O-] ZINC001628408189 1100097286 /nfs/dbraw/zinc/09/72/86/1100097286.db2.gz BVCVVZHRBLKNSI-UHFFFAOYSA-N -1 1 343.164 2.811 10 30 EFEEMM C#CCOc1ccccc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001629274363 1100189638 /nfs/dbraw/zinc/18/96/38/1100189638.db2.gz GIYQKUGJYNXLFX-UHFFFAOYSA-N -1 1 329.783 2.917 10 30 EFEEMM N#C[C@H](NC(=O)c1ccc([O-])cn1)c1cccc(Br)c1 ZINC001630699281 1100331521 /nfs/dbraw/zinc/33/15/21/1100331521.db2.gz VGZLGNIQPNPPLD-ZDUSSCGKSA-N -1 1 332.157 2.544 10 30 EFEEMM N#Cc1cccc(ONC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001635510576 1100665634 /nfs/dbraw/zinc/66/56/34/1100665634.db2.gz HHRVCTSHEWYYTC-UHFFFAOYSA-N -1 1 333.141 2.750 10 30 EFEEMM C=C[C@H](CC(=O)N(C)CCc1nc([O-])c(C)c(=O)[nH]1)c1ccccc1 ZINC001639279888 1100932980 /nfs/dbraw/zinc/93/29/80/1100932980.db2.gz ZNFZVGNIINTYID-CQSZACIVSA-N -1 1 341.411 2.557 10 30 EFEEMM C=CC[C@H](Cc1ccccc1)NC(=O)c1cnc(SC)[n-]c1=O ZINC001642540784 1101221383 /nfs/dbraw/zinc/22/13/83/1101221383.db2.gz MGXHLCYAQCRTCI-CYBMUJFWSA-N -1 1 329.425 2.821 10 30 EFEEMM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001656742768 1102189529 /nfs/dbraw/zinc/18/95/29/1102189529.db2.gz DJCPIXPTUNMNKX-UMSPYCQHSA-N -1 1 342.804 2.719 10 30 EFEEMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001663084139 1103965814 /nfs/dbraw/zinc/96/58/14/1103965814.db2.gz DQJBXRPLLFGIBH-ZJUUUORDSA-N -1 1 337.367 2.842 10 30 EFEEMM C=CCCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC001663161794 1104010285 /nfs/dbraw/zinc/01/02/85/1104010285.db2.gz WWSITFHMBADSDF-UHFFFAOYSA-N -1 1 349.811 2.900 10 30 EFEEMM C#C[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)c1ccccc1 ZINC001664080416 1104280549 /nfs/dbraw/zinc/28/05/49/1104280549.db2.gz ZEXBHDDPFGNTMU-OAHLLOKOSA-N -1 1 337.347 2.626 10 30 EFEEMM COC1(OC)CC2(CN(C(=O)c3ccc(C#N)c([O-])c3)[C@H]2C(C)C)C1 ZINC000898350644 1106330142 /nfs/dbraw/zinc/33/01/42/1106330142.db2.gz UOWQYEBZNPRJOH-INIZCTEOSA-N -1 1 344.411 2.514 10 30 EFEEMM N#Cc1ccc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)cc1[O-] ZINC000899097569 1109200294 /nfs/dbraw/zinc/20/02/94/1109200294.db2.gz ZUNLRUGUHINGDL-UHFFFAOYSA-N -1 1 344.186 2.827 10 30 EFEEMM C=C(C)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)OCC ZINC000916739314 1111978709 /nfs/dbraw/zinc/97/87/09/1111978709.db2.gz YKULHGOPXLXOOQ-LBPRGKRZSA-N -1 1 341.791 2.682 10 30 EFEEMM N#CCNC[C@@H](NC(=O)c1ncccc1[O-])c1ccc2ccccc2c1 ZINC001483993200 1112642197 /nfs/dbraw/zinc/64/21/97/1112642197.db2.gz VIDNYEQVZKXRII-QGZVFWFLSA-N -1 1 346.390 2.525 10 30 EFEEMM C=CCNc1ncnc([N-]c2ccccc2C(=O)OC)c1[N+](=O)[O-] ZINC000040598690 213357230 /nfs/dbraw/zinc/35/72/30/213357230.db2.gz HWMGNBYBGQKPGO-UHFFFAOYSA-N -1 1 329.316 2.513 10 30 EFEEMM CC(=O)C1=C([O-])[C@@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O ZINC000029084193 202180096 /nfs/dbraw/zinc/18/00/96/202180096.db2.gz RLOAZVAJNNPPDI-DQYPLSBCSA-N -1 1 336.391 2.828 10 30 in-vivo EFEEMM CC([O-])=C1C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c54)C[C@H]3C(C)(C)N2C1=O ZINC000029084193 202180100 /nfs/dbraw/zinc/18/01/00/202180100.db2.gz RLOAZVAJNNPPDI-DQYPLSBCSA-N -1 1 336.391 2.828 10 30 in-vivo EFEEMM Cc1nc(-c2cccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2)no1 ZINC000033086350 202249390 /nfs/dbraw/zinc/24/93/90/202249390.db2.gz YUZBDCUHURPOMJ-UHFFFAOYSA-N -1 1 340.364 2.718 10 30 EFEEMM COc1cc([N+](=O)[O-])cc(C=NNc2nc3ccccc3[nH]2)c1[O-] ZINC000036022242 202311972 /nfs/dbraw/zinc/31/19/72/202311972.db2.gz VEIJRIJOAOYIRM-PXNMLYILSA-N -1 1 327.300 2.631 10 30 EFEEMM 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C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001343760236 1332377407 /nfs/dbraw/zinc/37/74/07/1332377407.db2.gz NVXONNKMRCMNSK-KCQAQPDRSA-N -1 1 342.447 2.965 10 30 EFEEMM C=CC[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)OCC ZINC001348951681 1332887744 /nfs/dbraw/zinc/88/77/44/1332887744.db2.gz KSPBBIGMDHYMIU-LBPRGKRZSA-N -1 1 333.281 2.681 10 30 EFEEMM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)OC ZINC001352963548 1333833968 /nfs/dbraw/zinc/83/39/68/1333833968.db2.gz YRHXUILIARNTHZ-LLVKDONJSA-N -1 1 333.281 2.681 10 30 EFEEMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001355977186 1334923289 /nfs/dbraw/zinc/92/32/89/1334923289.db2.gz PWCBAWSXAWNLBE-QWRGUYRKSA-N -1 1 335.843 2.918 10 30 EFEEMM N#Cc1ccc(CCNC(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001413896431 1335399800 /nfs/dbraw/zinc/39/98/00/1335399800.db2.gz RQOHBVLOYOKAND-UHFFFAOYSA-N -1 1 345.349 2.626 10 30 EFEEMM CCOC(=O)c1nc(NC(=O)c2cc(C#N)ccc2F)[n-]c1Cl ZINC001361763901 1336321064 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C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001449738027 1392338029 /nfs/dbraw/zinc/33/80/29/1392338029.db2.gz CJMZQNZFBHXTPP-ZBFHGGJFSA-N -1 1 327.336 2.538 10 30 EFEEMM Cn1nnc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)c1C(F)(F)F ZINC001462295366 1396431563 /nfs/dbraw/zinc/43/15/63/1396431563.db2.gz XPJYHMLSFJOAIN-UHFFFAOYSA-N -1 1 342.174 2.643 10 30 EFEEMM C=CC[C@@H](C)NC(=O)c1ccc(I)cc1[O-] ZINC001465173628 1396655945 /nfs/dbraw/zinc/65/59/45/1396655945.db2.gz LIMYUJPPIWOXGU-MRVPVSSYSA-N -1 1 331.153 2.691 10 30 EFEEMM C#C[C@@H](CC)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001467771941 1396895449 /nfs/dbraw/zinc/89/54/49/1396895449.db2.gz YBJOOUVBMPYLPU-VIFPVBQESA-N -1 1 333.185 2.845 10 30 EFEEMM C#C[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(Br)cc1 ZINC001468450722 1396958622 /nfs/dbraw/zinc/95/86/22/1396958622.db2.gz JKIQOJJUNUWJDL-ZDUSSCGKSA-N -1 1 345.196 2.962 10 30 EFEEMM C#C[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccc(Cl)cc1 ZINC001475365978 1397420412 /nfs/dbraw/zinc/42/04/12/1397420412.db2.gz NKRJQUKGYCHICG-NSHDSACASA-N -1 1 342.754 2.666 10 30 EFEEMM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1csnc1OC ZINC001475384760 1397422107 /nfs/dbraw/zinc/42/21/07/1397422107.db2.gz GRDGYMYNFQMCAM-CYBMUJFWSA-N -1 1 338.454 2.617 10 30 EFEEMM C=CCCSCCNC(=O)NCCc1c(F)cc([O-])cc1F ZINC001478935775 1397595374 /nfs/dbraw/zinc/59/53/74/1397595374.db2.gz ASMFHHAIBWYJEE-UHFFFAOYSA-N -1 1 330.400 2.821 10 30 EFEEMM C=CCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001497781096 1401650384 /nfs/dbraw/zinc/65/03/84/1401650384.db2.gz OHCWOUTWJGXQGA-OAHLLOKOSA-N -1 1 345.443 2.597 10 30 EFEEMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001556995017 1415100858 /nfs/dbraw/zinc/10/08/58/1415100858.db2.gz VVSPRVLJCXXASP-AWEZNQCLSA-N -1 1 327.340 2.613 10 30 EFEEMM C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001683958676 1416689836 /nfs/dbraw/zinc/68/98/36/1416689836.db2.gz OJIOTGYQQBDCRK-RRFJBIMHSA-N -1 1 345.443 2.547 10 30 EFEEMM 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C=CC(C)(C)NC(=O)c1ccc(I)c([O-])c1 ZINC001333581314 1331174579 /nfs/dbraw/zinc/17/45/79/1331174579.db2.gz RYPBTFIWJQOZQX-UHFFFAOYSA-N -1 1 331.153 2.691 10 30 EFEEMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)CCCc1ccccc1 ZINC001339040597 1331776541 /nfs/dbraw/zinc/77/65/41/1331776541.db2.gz PCTSTUAHVSNCGB-UHFFFAOYSA-N -1 1 338.415 2.629 10 30 EFEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCCC(F)(F)CC1 ZINC001339091106 1331788599 /nfs/dbraw/zinc/78/85/99/1331788599.db2.gz LTEHHKZVPLRKRQ-UHFFFAOYSA-N -1 1 343.769 2.528 10 30 EFEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N(CC1CC1)C1CCC1 ZINC001339210772 1331817528 /nfs/dbraw/zinc/81/75/28/1331817528.db2.gz KZSZVXRNIURCLS-UHFFFAOYSA-N -1 1 333.827 2.672 10 30 EFEEMM C=CC[C@@H]1N(c2nnc(-c3c[n-][nH]c3=O)n2CC)CCCC1(C)C ZINC001341118759 1332235524 /nfs/dbraw/zinc/23/55/24/1332235524.db2.gz BVXJCQDRBZZUQX-ZDUSSCGKSA-N -1 1 330.436 2.965 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001342223717 1332319344 /nfs/dbraw/zinc/31/93/44/1332319344.db2.gz 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ZINC001449947305 1392453257 /nfs/dbraw/zinc/45/32/57/1392453257.db2.gz ZQJZOLJBZJZGTK-UHFFFAOYSA-N -1 1 346.180 2.751 10 30 EFEEMM CC(C)(C)OC(=O)N[C@@H](CC(=O)[N-]Oc1cccc(C#N)c1)C1CC1 ZINC001454684426 1393090193 /nfs/dbraw/zinc/09/01/93/1393090193.db2.gz WRQNJTJHCHKMIT-HNNXBMFYSA-N -1 1 345.399 2.662 10 30 EFEEMM C=CC[S@](=O)(=NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC001456900560 1394856906 /nfs/dbraw/zinc/85/69/06/1394856906.db2.gz YRGYXSIBCQAONJ-XMMPIXPASA-N -1 1 343.408 2.913 10 30 EFEEMM O=C([N-]CC#C[C@@H]1CCCCO1)C(F)(F)c1c(F)cccc1F ZINC001457026297 1394929496 /nfs/dbraw/zinc/92/94/96/1394929496.db2.gz CBGOOPUOERPMTO-NSHDSACASA-N -1 1 329.293 2.745 10 30 EFEEMM N#Cc1cnc(NCc2cccc(Br)c2[O-])c([N+](=O)[O-])c1 ZINC001458367877 1395455289 /nfs/dbraw/zinc/45/52/89/1395455289.db2.gz QGCVTFBQSWRNEP-UHFFFAOYSA-N -1 1 349.144 2.942 10 30 EFEEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(C)c(C#N)c(C)c2)[n-]1 ZINC001462732841 1396450298 /nfs/dbraw/zinc/45/02/98/1396450298.db2.gz NYEVSESKNNYTAI-UHFFFAOYSA-N -1 1 339.351 2.745 10 30 EFEEMM C=CC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001464764481 1396604256 /nfs/dbraw/zinc/60/42/56/1396604256.db2.gz IHSIXENLMLSMKN-UHFFFAOYSA-N -1 1 347.209 2.703 10 30 EFEEMM CCOC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2F)c([O-])c1 ZINC001466543983 1396761123 /nfs/dbraw/zinc/76/11/23/1396761123.db2.gz IBDUFCSGIBUBBY-UHFFFAOYSA-N -1 1 328.299 2.832 10 30 EFEEMM N#Cc1ccc(CNC(=O)NCCc2c(F)cc([O-])cc2F)s1 ZINC001470574788 1397099556 /nfs/dbraw/zinc/09/95/56/1397099556.db2.gz GDIURZBMYRREAF-UHFFFAOYSA-N -1 1 337.351 2.645 10 30 EFEEMM C=CC[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccc1 ZINC001470630195 1397104469 /nfs/dbraw/zinc/10/44/69/1397104469.db2.gz VECUDOIBHVYTOT-DLBZAZTESA-N -1 1 333.395 2.765 10 30 EFEEMM C=C(Cl)C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(=O)OCC ZINC001471117712 1397142806 /nfs/dbraw/zinc/14/28/06/1397142806.db2.gz FAQMSQKCZGMTTQ-NSHDSACASA-N -1 1 332.183 2.850 10 30 EFEEMM C=C(C)C[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001500462818 1403139182 /nfs/dbraw/zinc/13/91/82/1403139182.db2.gz RTSZUACDYZWASD-HUUCEWRRSA-N -1 1 347.459 2.650 10 30 EFEEMM C=CCCC[N@H+]1Cc2ccc(CNC(=O)c3ncccc3[O-])cc2C1 ZINC001502648851 1404282368 /nfs/dbraw/zinc/28/23/68/1404282368.db2.gz UXHJBIHJLMLUMX-UHFFFAOYSA-N -1 1 337.423 2.999 10 30 EFEEMM C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001505477503 1404714600 /nfs/dbraw/zinc/71/46/00/1404714600.db2.gz AMCARUYULCLHHQ-HUUCEWRRSA-N -1 1 345.443 2.548 10 30 EFEEMM C=CCC(C)(C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001511782383 1413136217 /nfs/dbraw/zinc/13/62/17/1413136217.db2.gz KKMAWWOMFKUIHW-CQSZACIVSA-N -1 1 347.459 2.650 10 30 EFEEMM C#CCCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001556491708 1415072541 /nfs/dbraw/zinc/07/25/41/1415072541.db2.gz DSRNQBRCHXPBEE-UHFFFAOYSA-N -1 1 333.185 2.846 10 30 EFEEMM C=CCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001556633332 1415079690 /nfs/dbraw/zinc/07/96/90/1415079690.db2.gz AJULRQXMHVFJLL-MRXNPFEDSA-N -1 1 348.402 2.845 10 30 EFEEMM C=C(C)CC[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001561584566 1415318866 /nfs/dbraw/zinc/31/88/66/1415318866.db2.gz DJDGBXPVHOVVLX-UHFFFAOYSA-N -1 1 340.189 2.972 10 30 EFEEMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC001561745383 1415324550 /nfs/dbraw/zinc/32/45/50/1415324550.db2.gz QOEGQIJDYHIOPF-STQMWFEESA-N -1 1 341.429 2.788 10 30 EFEEMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001568251874 1416455995 /nfs/dbraw/zinc/45/59/95/1416455995.db2.gz DNNNPYFHCMOANZ-FZKQIMNGSA-N -1 1 327.380 2.962 10 30 EFEEMM C=C[C@](C)(CC)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001704798545 1418152164 /nfs/dbraw/zinc/15/21/64/1418152164.db2.gz YKSWVXZROGJZKN-AUUYWEPGSA-N -1 1 347.459 2.650 10 30 EFEEMM C=C[C@](C)(CC)C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001704798546 1418152497 /nfs/dbraw/zinc/15/24/97/1418152497.db2.gz YKSWVXZROGJZKN-IFXJQAMLSA-N -1 1 347.459 2.650 10 30 EFEEMM C=CCCC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001704803645 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EFEEMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(CC)CC1 ZINC001355979062 1334923348 /nfs/dbraw/zinc/92/33/48/1334923348.db2.gz ZUQWEBBQMYOLFK-UHFFFAOYSA-N -1 1 335.843 2.919 10 30 EFEEMM C=CC[C@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC(C)C)C1 ZINC001357897125 1335343549 /nfs/dbraw/zinc/34/35/49/1335343549.db2.gz KVRHAXGDYQFZBK-ZDUSSCGKSA-N -1 1 330.436 2.822 10 30 EFEEMM CCOC(=O)c1nc(NC(=O)c2cccc(C#N)c2C)[n-]c1Cl ZINC001361528922 1336150528 /nfs/dbraw/zinc/15/05/28/1336150528.db2.gz IPMRLLKLGIGPKL-UHFFFAOYSA-N -1 1 332.747 2.672 10 30 EFEEMM N#Cc1ccc(C(=O)NCc2ccc(OC(F)F)cc2F)cc1[O-] ZINC001362797718 1336745877 /nfs/dbraw/zinc/74/58/77/1336745877.db2.gz YNODISJSBMKLKF-UHFFFAOYSA-N -1 1 336.269 2.934 10 30 EFEEMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccncc1Br ZINC001363338142 1336882000 /nfs/dbraw/zinc/88/20/00/1336882000.db2.gz ZSFFVAFBKFMOGL-SECBINFHSA-N -1 1 346.184 2.912 10 30 EFEEMM COC(=O)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)C1CCCCCC1 ZINC001363605332 1336951243 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Cc1ccc(CNC(=O)NCCc2c(F)cc([O-])cc2F)cc1C#N ZINC001471299006 1397157986 /nfs/dbraw/zinc/15/79/86/1397157986.db2.gz RGIBIMATKPMXAE-UHFFFAOYSA-N -1 1 345.349 2.892 10 30 EFEEMM N#Cc1c[n-]n2c1nc(CN1CCC(c3ccsc3)CC1)cc2=O ZINC001473397988 1397299976 /nfs/dbraw/zinc/29/99/76/1397299976.db2.gz AUYPKXXLZZATQF-UHFFFAOYSA-N -1 1 339.424 2.748 10 30 EFEEMM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001475294874 1397415265 /nfs/dbraw/zinc/41/52/65/1397415265.db2.gz OYLQKVIZILMDLE-UHFFFAOYSA-N -1 1 336.772 2.878 10 30 EFEEMM C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccc(Cl)cc1 ZINC001475365977 1397420173 /nfs/dbraw/zinc/42/01/73/1397420173.db2.gz NKRJQUKGYCHICG-LLVKDONJSA-N -1 1 342.754 2.666 10 30 EFEEMM C=C(C)CCC(=O)N(C)CC[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001509232364 1407839773 /nfs/dbraw/zinc/83/97/73/1407839773.db2.gz LYZATSBUFFGQIB-HNNXBMFYSA-N -1 1 347.459 2.746 10 30 EFEEMM C=C(C)C(C)(C)C(=O)N[C@@H](CCCC)CNC(=O)c1ncccc1[O-] ZINC001509325956 1407909723 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C=C[C@@](C)(CC)C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001704798548 1418151928 /nfs/dbraw/zinc/15/19/28/1418151928.db2.gz YKSWVXZROGJZKN-LIRRHRJNSA-N -1 1 347.459 2.650 10 30 EFEEMM C=C(C)C[C@@H](C)C(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001718791711 1422466405 /nfs/dbraw/zinc/46/64/05/1422466405.db2.gz WGNKQHATWDBWQX-OAHLLOKOSA-N -1 1 347.459 2.699 10 30 EFEEMM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](CC)C1 ZINC001721985888 1424101233 /nfs/dbraw/zinc/10/12/33/1424101233.db2.gz AIPDPGFWOPYZIB-GJZGRUSLSA-N -1 1 345.443 2.500 10 30 EFEEMM CCCCCCCCC(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001722133534 1424203215 /nfs/dbraw/zinc/20/32/15/1424203215.db2.gz DQLZERMOVIVUCB-UHFFFAOYSA-N -1 1 347.459 2.821 10 30 EFEEMM C=C(C)Cn1c(-c2nnn[n-]2)nnc1N1CCCC[C@@H]1CC1CCC1 ZINC001122399420 1425085388 /nfs/dbraw/zinc/08/53/88/1425085388.db2.gz BCJAQJMNVAFNBC-CQSZACIVSA-N -1 1 342.451 2.583 10 30 EFEEMM C=CCC1(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])CCCC1 ZINC001725993453 1426018489 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C=C1CCC(C(=O)N[C@@H](C)CCCNC(=O)c2ncccc2[O-])CC1 ZINC001487541203 1295879616 /nfs/dbraw/zinc/87/96/16/1295879616.db2.gz WUXMPRVVCZIJCM-AWEZNQCLSA-N -1 1 345.443 2.548 10 30 EFEEMM C=C(C)C[C@@H](C)C(=O)N[C@H](CCNC(=O)c1ncccc1[O-])C(C)C ZINC001487603050 1295956369 /nfs/dbraw/zinc/95/63/69/1295956369.db2.gz LTXMHJLXDQAMIR-HUUCEWRRSA-N -1 1 347.459 2.650 10 30 EFEEMM N#Cc1cccc(C2([N-]C(=O)C(F)(F)C(F)F)CCOCC2)c1 ZINC000855873698 1301153464 /nfs/dbraw/zinc/15/34/64/1301153464.db2.gz BCXVPTQCXCSJLP-UHFFFAOYSA-N -1 1 330.281 2.581 10 30 EFEEMM CCc1cc(=O)[n-]c(S[C@H](C(=O)OC)c2ccc(C#N)cc2)n1 ZINC000865363038 1303230176 /nfs/dbraw/zinc/23/01/76/1303230176.db2.gz HFLNIWJIHIJHGP-AWEZNQCLSA-N -1 1 329.381 2.623 10 30 EFEEMM N#Cc1ncccc1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000866124648 1303534815 /nfs/dbraw/zinc/53/48/15/1303534815.db2.gz DCWUQLDKQJLDHR-UHFFFAOYSA-N -1 1 328.803 2.634 10 30 EFEEMM CNC(=O)CCOc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000866330118 1303605567 /nfs/dbraw/zinc/60/55/67/1303605567.db2.gz JTTLCGPMYLAXAP-CYBMUJFWSA-N -1 1 339.395 2.952 10 30 EFEEMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCCC1 ZINC000867456297 1303818476 /nfs/dbraw/zinc/81/84/76/1303818476.db2.gz AKRZLOJOCNDIHI-UHFFFAOYSA-N -1 1 334.228 2.751 10 30 EFEEMM N#CCCCCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870163745 1305183768 /nfs/dbraw/zinc/18/37/68/1305183768.db2.gz HYBXUMNIIWOKKG-UHFFFAOYSA-N -1 1 335.835 2.774 10 30 EFEEMM Cc1cc(C(F)(F)F)nc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000901372252 1310255428 /nfs/dbraw/zinc/25/54/28/1310255428.db2.gz BDZKISFKWWRIBM-UHFFFAOYSA-N -1 1 329.253 2.975 10 30 EFEEMM Cc1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c(Cl)c1 ZINC000901775641 1311028189 /nfs/dbraw/zinc/02/81/89/1311028189.db2.gz WEKVGNFZZXGJKJ-SNVBAGLBSA-N -1 1 326.727 2.771 10 30 EFEEMM C=CCC1(C(=O)N(CCC)CCNC(=O)c2ncccc2[O-])CCC1 ZINC001284705127 1320485055 /nfs/dbraw/zinc/48/50/55/1320485055.db2.gz HSNODVBTTZYRQO-UHFFFAOYSA-N -1 1 345.443 2.502 10 30 EFEEMM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c2cccc3C#N)c1 ZINC001162450509 1312105937 /nfs/dbraw/zinc/10/59/37/1312105937.db2.gz AIWHILQBPQOCCV-UHFFFAOYSA-N -1 1 333.347 2.591 10 30 EFEEMM C=C[C@@H](C)ONC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001164413701 1312510320 /nfs/dbraw/zinc/51/03/20/1312510320.db2.gz HOOSPGHVTFQGKX-MRVPVSSYSA-N -1 1 337.173 2.527 10 30 EFEEMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](CC(C)C)C1 ZINC001262966677 1316510060 /nfs/dbraw/zinc/51/00/60/1316510060.db2.gz OTWLUQINXCENPQ-CYBMUJFWSA-N -1 1 330.436 2.822 10 30 EFEEMM C=C(C)CCC(=O)NCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001285160591 1320736546 /nfs/dbraw/zinc/73/65/46/1320736546.db2.gz WFINMSKNUIVNGJ-UHFFFAOYSA-N -1 1 345.443 2.502 10 30 EFEEMM C=CCCCC(=O)NC[C@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001286165043 1321280982 /nfs/dbraw/zinc/28/09/82/1321280982.db2.gz QYMXJGDGLFKNEB-IBGZPJMESA-N -1 1 345.443 2.502 10 30 EFEEMM N#Cc1cccc(COc2cccc(NC(=O)c3cnncc3[O-])c2)c1 ZINC001290948140 1321972039 /nfs/dbraw/zinc/97/20/39/1321972039.db2.gz AZQGTTMRJGWASR-UHFFFAOYSA-N -1 1 346.346 2.885 10 30 EFEEMM C=C[C@@](C)(CC)C(=O)N(CCCNC(=O)c1ncccc1[O-])C1CC1 ZINC001294587185 1322523498 /nfs/dbraw/zinc/52/34/98/1322523498.db2.gz QDGQZPRNLXCPKA-IBGZPJMESA-N -1 1 345.443 2.500 10 30 EFEEMM COc1ccc2[nH]c([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)nc2c1 ZINC001296768106 1323010549 /nfs/dbraw/zinc/01/05/49/1323010549.db2.gz NGECQWXDDRKLOU-JTQLQIEISA-N -1 1 336.351 2.640 10 30 EFEEMM Cc1cc(Br)c([O-])c(C=NNCC2CCOCC2)c1 ZINC001320085554 1329071740 /nfs/dbraw/zinc/07/17/40/1329071740.db2.gz WPWVQHXYIBIFIQ-UHFFFAOYSA-N -1 1 327.222 2.813 10 30 EFEEMM C=CCC(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001297831033 1323353173 /nfs/dbraw/zinc/35/31/73/1323353173.db2.gz DMONRHMVYONELQ-AWEZNQCLSA-N -1 1 347.459 2.650 10 30 EFEEMM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(OC)ccc1[O-] ZINC001309677054 1324881838 /nfs/dbraw/zinc/88/18/38/1324881838.db2.gz PIFXINUWZDIZAH-GXTWGEPZSA-N -1 1 325.430 2.814 10 30 EFEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001339209821 1331818093 /nfs/dbraw/zinc/81/80/93/1331818093.db2.gz FOTYARYVOGNZFI-NSHDSACASA-N -1 1 347.854 2.919 10 30 EFEEMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](C(C)C)CC1 ZINC001340415035 1332190828 /nfs/dbraw/zinc/19/08/28/1332190828.db2.gz MQCKTJIZQRXLHQ-ZDUSSCGKSA-N -1 1 330.436 2.822 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001343758376 1332377069 /nfs/dbraw/zinc/37/70/69/1332377069.db2.gz BTHUTQZQGLGZAM-CYBMUJFWSA-N -1 1 330.436 2.822 10 30 EFEEMM C=C1CCN(c2nnc(-c3c[n-][nH]c3=O)n2Cc2ccccc2)CC1 ZINC001343883426 1332388276 /nfs/dbraw/zinc/38/82/76/1332388276.db2.gz ZAZXLZFEOVCDCB-UHFFFAOYSA-N -1 1 336.399 2.579 10 30 EFEEMM C=CCCC[C@@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)c1ccccc1 ZINC001350225594 1333051019 /nfs/dbraw/zinc/05/10/19/1333051019.db2.gz VLLMOJRBUAWUKH-HZPDHXFCSA-N -1 1 325.416 2.656 10 30 EFEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001352094430 1333382947 /nfs/dbraw/zinc/38/29/47/1333382947.db2.gz YANAMWOMMIBAMG-MNOVXSKESA-N -1 1 333.827 2.672 10 30 EFEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001352094429 1333383331 /nfs/dbraw/zinc/38/33/31/1333383331.db2.gz YANAMWOMMIBAMG-GHMZBOCLSA-N -1 1 333.827 2.672 10 30 EFEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001352094432 1333383967 /nfs/dbraw/zinc/38/39/67/1333383967.db2.gz YANAMWOMMIBAMG-WDEREUQCSA-N -1 1 333.827 2.672 10 30 EFEEMM C=CCC(F)(F)C(=O)[N-][C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC000847213093 1333413470 /nfs/dbraw/zinc/41/34/70/1333413470.db2.gz ARONYUXXBXRUOV-QMMMGPOBSA-N -1 1 346.296 2.770 10 30 EFEEMM C=C(C)C(C)(C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001356935245 1335206075 /nfs/dbraw/zinc/20/60/75/1335206075.db2.gz LZDGQJFJVOGWKS-UHFFFAOYSA-N -1 1 345.443 2.548 10 30 EFEEMM COc1cc(C(=O)/C=C\c2cn(C3CCC3)nn2)cc(OC)c1[O-] ZINC000849249287 1335578067 /nfs/dbraw/zinc/57/80/67/1335578067.db2.gz FUNLQDAJMQKUCX-SREVYHEPSA-N -1 1 329.356 2.622 10 30 EFEEMM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)o2)CCCCC1 ZINC000849473173 1335625649 /nfs/dbraw/zinc/62/56/49/1335625649.db2.gz DLVAWXSLGVLAHB-UHFFFAOYSA-N -1 1 347.234 2.794 10 30 EFEEMM CCOC(=O)c1nc(NC(=O)[C@H](CC#N)c2ccccc2)[n-]c1Cl ZINC001361640300 1336237873 /nfs/dbraw/zinc/23/78/73/1336237873.db2.gz BQSDSMWMIVIGPQ-LLVKDONJSA-N -1 1 346.774 2.876 10 30 EFEEMM CCOC(=O)c1nc(NC(=O)c2cc(C)c(C#N)c(C)c2)[n-]c1Cl ZINC001361640833 1336238519 /nfs/dbraw/zinc/23/85/19/1336238519.db2.gz FIZKEWXOXSGDBD-UHFFFAOYSA-N -1 1 346.774 2.981 10 30 EFEEMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001362028833 1336471323 /nfs/dbraw/zinc/47/13/23/1336471323.db2.gz KJCKXFZAGDTJJR-KRWDZBQOSA-N -1 1 339.370 2.554 10 30 EFEEMM N#Cc1c(F)cc(C[N-]C(=O)C(F)(F)c2nccs2)cc1F ZINC001362694631 1336707610 /nfs/dbraw/zinc/70/76/10/1336707610.db2.gz KUTFCWAFJDLFJT-UHFFFAOYSA-N -1 1 329.278 2.701 10 30 EFEEMM C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1ncccc1[O-] ZINC001492881254 1361210874 /nfs/dbraw/zinc/21/08/74/1361210874.db2.gz SVUDSLNEBZDQFH-LSDHHAIUSA-N -1 1 345.443 2.643 10 30 EFEEMM N#Cc1ccc(CC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC001434451880 1387157518 /nfs/dbraw/zinc/15/75/18/1387157518.db2.gz XIMVVCNUHFWNGJ-UHFFFAOYSA-N -1 1 335.335 2.895 10 30 EFEEMM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001451993319 1392861992 /nfs/dbraw/zinc/86/19/92/1392861992.db2.gz CBHWSKOORBPEQX-NSHDSACASA-N -1 1 337.408 2.723 10 30 EFEEMM COc1cc(C(=O)[N-]c2snc(C)c2C#N)c([N+](=O)[O-])cc1F ZINC001459427294 1395855324 /nfs/dbraw/zinc/85/53/24/1395855324.db2.gz WRRVJOWBPVUABN-UHFFFAOYSA-N -1 1 336.304 2.631 10 30 EFEEMM O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001464076427 1396544765 /nfs/dbraw/zinc/54/47/65/1396544765.db2.gz AILFFASWICHDGW-UHFFFAOYSA-N -1 1 347.330 2.501 10 30 EFEEMM N#CCCCOc1cccnc1[N-]C(=O)c1nnc(-c2ccco2)o1 ZINC001464713551 1396598254 /nfs/dbraw/zinc/59/82/54/1396598254.db2.gz ZWJJIEVMGYGIRG-UHFFFAOYSA-N -1 1 339.311 2.659 10 30 EFEEMM C=CCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC001468107612 1396926727 /nfs/dbraw/zinc/92/67/27/1396926727.db2.gz RLLFTFBWLKRBTM-UHFFFAOYSA-N -1 1 346.408 2.643 10 30 EFEEMM COc1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c([O-])c1 ZINC001558014468 1415155980 /nfs/dbraw/zinc/15/59/80/1415155980.db2.gz NDAXIKNDJNUSPM-UHFFFAOYSA-N -1 1 348.362 2.770 10 30 EFEEMM C#CC1(F)CN(C(=O)c2c([O-])cnc3c(Br)cccc32)C1 ZINC001558141547 1415162092 /nfs/dbraw/zinc/16/20/92/1415162092.db2.gz SYALDFPAWSQDKJ-UHFFFAOYSA-N -1 1 349.159 2.500 10 30 EFEEMM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)Cc2ccccc2C(=O)O1 ZINC001559037438 1415219748 /nfs/dbraw/zinc/21/97/48/1415219748.db2.gz XBCDYCOFLWLURV-GOSISDBHSA-N -1 1 329.327 2.715 10 30 EFEEMM C=CCCC(=O)NCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001684613700 1416725594 /nfs/dbraw/zinc/72/55/94/1416725594.db2.gz ULNMKNKTJKTKSB-LSDHHAIUSA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCCCC(=O)N1CC[C@H](N(CCC)C(=O)c2ncccc2[O-])C1 ZINC001704458048 1417947831 /nfs/dbraw/zinc/94/78/31/1417947831.db2.gz GJNVFTSKECHWDR-HNNXBMFYSA-N -1 1 345.443 2.597 10 30 EFEEMM C=CCCC(=O)N[C@@]1(CNC(=O)c2ncccc2[O-])CCCC[C@H]1C ZINC001704727041 1418088197 /nfs/dbraw/zinc/08/81/97/1418088197.db2.gz NMIPOMDBAUUDFG-AUUYWEPGSA-N -1 1 345.443 2.548 10 30 EFEEMM C=CCCC1(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001718920900 1422557058 /nfs/dbraw/zinc/55/70/58/1422557058.db2.gz ZCSXQXNUPBFFME-KBPBESRZSA-N -1 1 345.443 2.547 10 30 EFEEMM C=CCCC1(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001718920903 1422557134 /nfs/dbraw/zinc/55/71/34/1422557134.db2.gz ZCSXQXNUPBFFME-ZIAGYGMSSA-N -1 1 345.443 2.547 10 30 EFEEMM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](CC)C1 ZINC001721985887 1424101620 /nfs/dbraw/zinc/10/16/20/1424101620.db2.gz AIPDPGFWOPYZIB-CABCVRRESA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCSc1ccccc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001123982721 1427547972 /nfs/dbraw/zinc/54/79/72/1427547972.db2.gz GDNPOXSMQMWPOW-UHFFFAOYSA-N -1 1 343.456 2.573 10 30 EFEEMM N#Cc1cc([O-])cc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804739570 713456980 /nfs/dbraw/zinc/45/69/80/713456980.db2.gz JUQOSBRBCYYCND-UHFFFAOYSA-N -1 1 347.168 2.662 10 30 EFEEMM C=CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000908467150 727191559 /nfs/dbraw/zinc/19/15/59/727191559.db2.gz ZCLAZPDFADTOFJ-UHFFFAOYSA-N -1 1 335.784 2.509 10 30 EFEEMM C#CCCCCCCOC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000908921476 727283800 /nfs/dbraw/zinc/28/38/00/727283800.db2.gz MZAWELSAMCQDKS-UHFFFAOYSA-N -1 1 329.443 2.860 10 30 EFEEMM C=CCCC[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000910516037 727446987 /nfs/dbraw/zinc/44/69/87/727446987.db2.gz IVIMIUUARWBYLI-MSOLQXFVSA-N -1 1 344.455 2.997 10 30 EFEEMM C=CCCC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000910516038 727447027 /nfs/dbraw/zinc/44/70/27/727447027.db2.gz IVIMIUUARWBYLI-QZTJIDSGSA-N -1 1 344.455 2.997 10 30 EFEEMM C=CCCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C(=O)[O-] ZINC000910912828 727471499 /nfs/dbraw/zinc/47/14/99/727471499.db2.gz OUTYAZJWKJYYAQ-DLBZAZTESA-N -1 1 330.428 2.577 10 30 EFEEMM C=C(C)CCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001582887759 1091759176 /nfs/dbraw/zinc/75/91/76/1091759176.db2.gz SHHWWCGLMZOGGT-HUUCEWRRSA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001582890209 1091762802 /nfs/dbraw/zinc/76/28/02/1091762802.db2.gz ZJVQLATYDMDNDX-CABCVRRESA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCCCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001584414794 1092166566 /nfs/dbraw/zinc/16/65/66/1092166566.db2.gz ZVWCMUOAWDILCY-LSDHHAIUSA-N -1 1 345.443 2.548 10 30 EFEEMM C=CCCCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001584414792 1092166824 /nfs/dbraw/zinc/16/68/24/1092166824.db2.gz ZVWCMUOAWDILCY-GJZGRUSLSA-N -1 1 345.443 2.548 10 30 EFEEMM Cn1c(=O)sc2cc(/C=C\C(=O)c3cc(O)ccc3[O-])ccc21 ZINC000588598811 1094332257 /nfs/dbraw/zinc/33/22/57/1094332257.db2.gz FQSSFQRWQOZIPA-UTCJRWHESA-N -1 1 327.361 2.907 10 30 EFEEMM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(C#N)c(Cl)n1 ZINC001269193379 1097933888 /nfs/dbraw/zinc/93/38/88/1097933888.db2.gz WAPDALFNVBXFJZ-UHFFFAOYSA-N -1 1 328.662 2.757 10 30 EFEEMM Cc1cc(OCC(=O)N([O-])Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001611666831 1099028101 /nfs/dbraw/zinc/02/81/01/1099028101.db2.gz CXCAODBZBHMJEA-UHFFFAOYSA-N -1 1 334.303 2.839 10 30 EFEEMM C=CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC001625604849 1099831864 /nfs/dbraw/zinc/83/18/64/1099831864.db2.gz ASNNQDIJHRGMDH-UHFFFAOYSA-N -1 1 346.408 2.597 10 30 EFEEMM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001627448288 1099998397 /nfs/dbraw/zinc/99/83/97/1099998397.db2.gz JIOCBMNMUMHPOO-GFCCVEGCSA-N -1 1 327.290 2.863 10 30 EFEEMM C=CCC[C@@H](NC(=O)c1ncc2ccccc2c1[O-])C(=O)OCC ZINC001627751942 1100029809 /nfs/dbraw/zinc/02/98/09/1100029809.db2.gz JJZUXTYARGZQNX-CQSZACIVSA-N -1 1 328.368 2.568 10 30 EFEEMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001628995688 1100156286 /nfs/dbraw/zinc/15/62/86/1100156286.db2.gz CIIDISFLXRIVNR-SECBINFHSA-N -1 1 331.357 2.964 10 30 EFEEMM C=C[C@@H](C)ONC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001631873663 1100435392 /nfs/dbraw/zinc/43/53/92/1100435392.db2.gz BNBHDTQGIJJESP-CYBMUJFWSA-N -1 1 346.408 2.723 10 30 EFEEMM N#Cc1ccc([O-])c(NC(=O)c2cc(Br)ccc2O)c1 ZINC001633076976 1100521195 /nfs/dbraw/zinc/52/11/95/1100521195.db2.gz JWWWUZMBRDTJTA-UHFFFAOYSA-N -1 1 333.141 2.984 10 30 EFEEMM N#Cc1ccc(C(=O)NCCOc2ccc(Cl)c(F)c2)cc1[O-] ZINC001635631028 1100671425 /nfs/dbraw/zinc/67/14/25/1100671425.db2.gz DWCDEBXQDDIICD-UHFFFAOYSA-N -1 1 334.734 2.865 10 30 EFEEMM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC001637957464 1100820968 /nfs/dbraw/zinc/82/09/68/1100820968.db2.gz JPJPSSDLDJUESD-NSHDSACASA-N -1 1 338.408 2.612 10 30 EFEEMM C=CCC(F)(F)C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001638609197 1100873445 /nfs/dbraw/zinc/87/34/45/1100873445.db2.gz MLCWUPJJQPPYAD-UHFFFAOYSA-N -1 1 328.706 2.981 10 30 EFEEMM N#Cc1cccc(-c2n[nH]c(NC(=O)c3c([O-])cc(F)cc3F)n2)c1 ZINC001639136136 1100917777 /nfs/dbraw/zinc/91/77/77/1100917777.db2.gz YCVHQAGJLRSJLC-UHFFFAOYSA-N -1 1 341.277 2.579 10 30 EFEEMM O=C(C#Cc1cccs1)NCc1cccc(Br)c1[O-] ZINC001640084481 1101013154 /nfs/dbraw/zinc/01/31/54/1101013154.db2.gz XVRGRMQLHAEXDO-UHFFFAOYSA-N -1 1 336.210 2.884 10 30 EFEEMM C=CCC1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCOCC1 ZINC001640062097 1101010200 /nfs/dbraw/zinc/01/02/00/1101010200.db2.gz HACBMWMLGUAZEV-UHFFFAOYSA-N -1 1 330.359 2.935 10 30 EFEEMM CO[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)c1cnn(C)c1 ZINC001641878164 1101173112 /nfs/dbraw/zinc/17/31/12/1101173112.db2.gz XCOHVVBWHDZMBI-QGZVFWFLSA-N -1 1 325.368 2.679 10 30 EFEEMM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001643001657 1101262513 /nfs/dbraw/zinc/26/25/13/1101262513.db2.gz LFOAJZBNBOFWTF-OAHLLOKOSA-N -1 1 349.419 2.697 10 30 EFEEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N(O)Cc1cccc2ccccc21 ZINC001654826525 1101761297 /nfs/dbraw/zinc/76/12/97/1101761297.db2.gz YFBCXMCBNGEXPP-UHFFFAOYSA-N -1 1 339.307 2.880 10 30 EFEEMM C=CCc1ccccc1OS(=O)(=O)c1[n-]cnc1Br ZINC001660989787 1103058348 /nfs/dbraw/zinc/05/83/48/1103058348.db2.gz JZRFVABJPKOLMR-UHFFFAOYSA-N -1 1 343.202 2.668 10 30 EFEEMM C=CCC1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CCCC1 ZINC001663320457 1104056021 /nfs/dbraw/zinc/05/60/21/1104056021.db2.gz XSECVEGEVIWIJX-UHFFFAOYSA-N -1 1 341.429 2.789 10 30 EFEEMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC001663716266 1104197518 /nfs/dbraw/zinc/19/75/18/1104197518.db2.gz CKDARXPZECSZDL-MRVPVSSYSA-N -1 1 340.754 2.834 10 30 EFEEMM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000906480679 1104249923 /nfs/dbraw/zinc/24/99/23/1104249923.db2.gz YLMWMJMPLYNCEK-LLVKDONJSA-N -1 1 332.148 2.744 10 30 EFEEMM COc1cc(C(=O)NCc2ccc(OCC#N)cc2)cc(Cl)c1[O-] ZINC000785416033 1104496972 /nfs/dbraw/zinc/49/69/72/1104496972.db2.gz SGLICALHEDCFHT-UHFFFAOYSA-N -1 1 346.770 2.887 10 30 EFEEMM C=CCC(C)(C)C(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001680935975 1108073486 /nfs/dbraw/zinc/07/34/86/1108073486.db2.gz JMFJSKNSJLBOAL-UHFFFAOYSA-N -1 1 347.459 2.699 10 30 EFEEMM C#CCc1c(C)[n-]n(Cc2cc(OC)ccc2Br)c1=O ZINC000899355647 1109295284 /nfs/dbraw/zinc/29/52/84/1109295284.db2.gz SOVZWYMBOIPIAZ-ZDUSSCGKSA-N -1 1 335.201 2.815 10 30 EFEEMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000174729528 239241614 /nfs/dbraw/zinc/24/16/14/239241614.db2.gz AMGSAWBNAGVEKQ-UHFFFAOYSA-N -1 1 336.800 2.813 10 30 EFEEMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427106144 247317333 /nfs/dbraw/zinc/31/73/33/247317333.db2.gz DKFHQXAQJBKWEI-UHFFFAOYSA-N -1 1 348.355 2.593 10 30 EFEEMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc2cccnc21 ZINC000427659979 247380175 /nfs/dbraw/zinc/38/01/75/247380175.db2.gz NPIRYFUNBSWJIZ-UHFFFAOYSA-N -1 1 339.376 2.916 10 30 EFEEMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000350871650 146098139 /nfs/dbraw/zinc/09/81/39/146098139.db2.gz RGKSYFXBMJLGSF-UHFFFAOYSA-N -1 1 335.360 2.548 10 30 EFEEMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(-n2cccn2)cc1 ZINC000188591815 265141227 /nfs/dbraw/zinc/14/12/27/265141227.db2.gz FBORNWFKHRBHMX-ZDUSSCGKSA-N -1 1 332.363 2.941 10 30 EFEEMM N#Cc1ccc(C2(NC(=O)c3cc(F)ccc3[O-])CCOCC2)cc1 ZINC000530060483 268210294 /nfs/dbraw/zinc/21/02/94/268210294.db2.gz KYUVLUOXFRSVBP-UHFFFAOYSA-N -1 1 340.354 2.839 10 30 EFEEMM C/N=C1\S/C(=C\c2ccc([O-])c(Br)c2)C(=O)N1C ZINC000018105651 275734730 /nfs/dbraw/zinc/73/47/30/275734730.db2.gz RDTYDARNDCRSJY-FWNMTXRZSA-N -1 1 327.203 2.687 10 30 EFEEMM N#Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)cc1[O-] ZINC000576712726 320042127 /nfs/dbraw/zinc/04/21/27/320042127.db2.gz PYZJCEZHDUNGKW-WKILWMFISA-N -1 1 336.395 2.812 10 30 EFEEMM C=CC[C@@H]1CCN(C(=O)c2c[n-]c3cc(OC)cc(OC)c3c2=O)C1 ZINC000628494143 479922167 /nfs/dbraw/zinc/92/21/67/479922167.db2.gz GDEKJAGINHPLHL-GFCCVEGCSA-N -1 1 342.395 2.584 10 30 EFEEMM COc1cc(C)c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1OC ZINC000087167887 472311884 /nfs/dbraw/zinc/31/18/84/472311884.db2.gz AAVIYAOCNUVTQL-UHFFFAOYSA-N -1 1 330.266 2.785 10 30 EFEEMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000089977550 472569548 /nfs/dbraw/zinc/56/95/48/472569548.db2.gz DDKVTYHMHKFYES-UHFFFAOYSA-N -1 1 340.408 2.857 10 30 EFEEMM Cc1ccc([O-])c(C(=O)/C=C/c2cnc(N3CCOCC3)s2)c1 ZINC000156699120 472742143 /nfs/dbraw/zinc/74/21/43/472742143.db2.gz UGBYNINEFFXNLK-HWKANZROSA-N -1 1 330.409 2.890 10 30 EFEEMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(C)c1 ZINC000179025267 473614560 /nfs/dbraw/zinc/61/45/60/473614560.db2.gz PIUWTFKXLOAOBT-UHFFFAOYSA-N -1 1 344.392 2.763 10 30 EFEEMM N#Cc1cccnc1N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179640973 473702118 /nfs/dbraw/zinc/70/21/18/473702118.db2.gz BOJZYIQKBDKEJO-UHFFFAOYSA-N -1 1 328.803 2.634 10 30 EFEEMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(-n2ccnc2)c1 ZINC000188583494 474134459 /nfs/dbraw/zinc/13/44/59/474134459.db2.gz MQFGAIHFRAQYAZ-CYBMUJFWSA-N -1 1 332.363 2.941 10 30 EFEEMM C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000290737941 474584697 /nfs/dbraw/zinc/58/46/97/474584697.db2.gz YPZPAZKUHCXYAE-RNJOBUHISA-N -1 1 334.382 2.893 10 30 EFEEMM Cc1cc(C=NNc2nc(C)cc(=O)[n-]2)c(C)n1CC(F)(F)F ZINC000253534306 474762623 /nfs/dbraw/zinc/76/26/23/474762623.db2.gz XRBIOKIAOFDBBY-UHFFFAOYSA-N -1 1 327.310 2.917 10 30 EFEEMM CCC(CC)C(=O)N1CCC(NC(=O)c2ncc(C)cc2[O-])CC1 ZINC000331143763 475314852 /nfs/dbraw/zinc/31/48/52/475314852.db2.gz LIXMJHSARNKOGT-UHFFFAOYSA-N -1 1 333.432 2.827 10 30 EFEEMM N#C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Br)cc1 ZINC000339882983 475590008 /nfs/dbraw/zinc/59/00/08/475590008.db2.gz YQIPIYMIWPORHJ-CYBMUJFWSA-N -1 1 332.157 2.544 10 30 EFEEMM Cc1cnc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000358550623 475764692 /nfs/dbraw/zinc/76/46/92/475764692.db2.gz VCONVLZQLQZFHO-UHFFFAOYSA-N -1 1 334.297 2.896 10 30 EFEEMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1 ZINC000353876453 476308756 /nfs/dbraw/zinc/30/87/56/476308756.db2.gz LHTYETNKOJSNMQ-UHFFFAOYSA-N -1 1 338.820 2.934 10 30 EFEEMM C=CCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)OCC ZINC000451989234 476762296 /nfs/dbraw/zinc/76/22/96/476762296.db2.gz IIGLDLRYPQANRD-GFCCVEGCSA-N -1 1 349.811 2.655 10 30 EFEEMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)o1 ZINC000376277063 477263880 /nfs/dbraw/zinc/26/38/80/477263880.db2.gz XSMUUWHVCLFDOK-MRXNPFEDSA-N -1 1 328.349 2.812 10 30 EFEEMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(C#N)ccc3C)[nH]c2c1 ZINC000427643677 477775055 /nfs/dbraw/zinc/77/50/55/477775055.db2.gz BHVQCWSPRJSTCN-UHFFFAOYSA-N -1 1 326.381 2.852 10 30 EFEEMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000471937999 478013445 /nfs/dbraw/zinc/01/34/45/478013445.db2.gz XJOKHXXRZQOVOM-UHFFFAOYSA-N -1 1 348.355 2.593 10 30 EFEEMM N#C[C@H](NC(=O)c1ncccc1[O-])c1ccc(Br)cc1 ZINC000495002770 478103733 /nfs/dbraw/zinc/10/37/33/478103733.db2.gz DJYJLXGWYHVGIM-NSHDSACASA-N -1 1 332.157 2.544 10 30 EFEEMM COC(=O)[C@]1(NC(=O)c2cc([O-])cc(C#N)c2)CCCC(C)(C)C1 ZINC000600283555 478323006 /nfs/dbraw/zinc/32/30/06/478323006.db2.gz NDMFLBYVSHFLOH-SFHVURJKSA-N -1 1 330.384 2.506 10 30 EFEEMM N#CCc1ccc(CS(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1 ZINC000579712417 478346867 /nfs/dbraw/zinc/34/68/67/478346867.db2.gz QEXVGKXVDWWPGY-UHFFFAOYSA-N -1 1 327.409 2.967 10 30 EFEEMM COc1cc(C(=O)Nc2cc(C)nn2CCC#N)cc(Cl)c1[O-] ZINC000527191986 478417458 /nfs/dbraw/zinc/41/74/58/478417458.db2.gz NQSGAJZZPYAKBY-UHFFFAOYSA-N -1 1 334.763 2.725 10 30 EFEEMM C=CCCC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000594799341 478544258 /nfs/dbraw/zinc/54/42/58/478544258.db2.gz SUJSYTZYXKBBIQ-UHFFFAOYSA-N -1 1 339.417 2.795 10 30 EFEEMM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C12CCC2 ZINC000594866092 478566617 /nfs/dbraw/zinc/56/66/17/478566617.db2.gz YUKDUKUGAAOAOJ-OLZOCXBDSA-N -1 1 338.429 2.556 10 30 EFEEMM Cc1nc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[n-]c(=O)c1C1CC1 ZINC000601088676 478649269 /nfs/dbraw/zinc/64/92/69/478649269.db2.gz YCWFMOOASNUPJR-DIFFPNOSSA-N -1 1 348.472 2.903 10 30 EFEEMM CSc1nc(C)c(CCC(=O)NCC2(C#N)CCCCC2)c(=O)[n-]1 ZINC000598302775 478753589 /nfs/dbraw/zinc/75/35/89/478753589.db2.gz PJFNTGSIIIZRGH-UHFFFAOYSA-N -1 1 348.472 2.735 10 30 EFEEMM C=C(C)C[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(=O)OC ZINC000601781736 479001272 /nfs/dbraw/zinc/00/12/72/479001272.db2.gz LCAOZJSZSJLWAD-LLVKDONJSA-N -1 1 331.290 2.649 10 30 EFEEMM CC(C)(C)c1cc([N-]C(=O)c2nnn(C(C)(C)C)n2)c(C#N)s1 ZINC000598825758 479042277 /nfs/dbraw/zinc/04/22/77/479042277.db2.gz KMVLEDXXYHXERR-UHFFFAOYSA-N -1 1 332.433 2.911 10 30 EFEEMM C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1C(=O)OC(C)(C)C ZINC000573922294 479174597 /nfs/dbraw/zinc/17/45/97/479174597.db2.gz FDGAGZHHTWQVDJ-WFASDCNBSA-N -1 1 344.411 2.704 10 30 EFEEMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000593279367 479272399 /nfs/dbraw/zinc/27/23/99/479272399.db2.gz LNCSMVTWFGUUNM-UHFFFAOYSA-N -1 1 331.397 2.692 10 30 EFEEMM 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/nfs/dbraw/zinc/74/16/89/1324741689.db2.gz BXSYLMFWXWJETO-UHFFFAOYSA-N -1 1 333.189 2.991 10 30 EFEEMM C=CC[C@H](CO)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001309451506 1324870314 /nfs/dbraw/zinc/87/03/14/1324870314.db2.gz AHEMIMCUWFNFPH-SECBINFHSA-N -1 1 331.846 2.770 10 30 EFEEMM C/C(=C\c1ccc(C)cc1)C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001325037347 1329666204 /nfs/dbraw/zinc/66/62/04/1329666204.db2.gz CJKQJLJAJMSSNF-ACCUITESSA-N -1 1 340.404 2.664 10 30 EFEEMM O=S1(=O)[N-]/C(=N/C[C@@H]2CC=CC[C@H]2C(F)(F)F)c2ccccc21 ZINC001329296876 1330691009 /nfs/dbraw/zinc/69/10/09/1330691009.db2.gz CCBZZJKWEHUCIX-CMPLNLGQSA-N -1 1 344.358 2.870 10 30 EFEEMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC(C)=C(C)C1 ZINC001341756430 1332282497 /nfs/dbraw/zinc/28/24/97/1332282497.db2.gz URSQNTMQVMAESX-UHFFFAOYSA-N -1 1 333.827 2.839 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2ccccc2C1 ZINC001342223779 1332319067 /nfs/dbraw/zinc/31/90/67/1332319067.db2.gz CYBPHXDLGQDVSX-UHFFFAOYSA-N -1 1 336.399 2.513 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001342223718 1332319501 /nfs/dbraw/zinc/31/95/01/1332319501.db2.gz CAVJMKOCPIPPED-LBPRGKRZSA-N -1 1 340.387 2.537 10 30 EFEEMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(CCC1CC1)CC1CC1 ZINC001342224405 1332319833 /nfs/dbraw/zinc/31/98/33/1332319833.db2.gz CZTBAFLAZISVSK-UHFFFAOYSA-N -1 1 328.420 2.576 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(C)CCc1cccs1 ZINC001343760743 1332377600 /nfs/dbraw/zinc/37/76/00/1332377600.db2.gz QQNQARHEUDKORZ-UHFFFAOYSA-N -1 1 344.444 2.690 10 30 EFEEMM C=C(C)CN(C)c1nnc(-c2c[n-][nH]c2=O)n1CCc1ccccc1 ZINC001344548904 1332463035 /nfs/dbraw/zinc/46/30/35/1332463035.db2.gz UZYACOCQRWNWBZ-UHFFFAOYSA-N -1 1 338.415 2.629 10 30 EFEEMM C=CCN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1C[C@H]1CCCO1 ZINC001345566433 1332549985 /nfs/dbraw/zinc/54/99/85/1332549985.db2.gz ORVRHBVVVKPPNF-LLVKDONJSA-N -1 1 349.822 2.500 10 30 EFEEMM C=C[C@H](C(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1)c1ccccc1 ZINC001349446711 1332954405 /nfs/dbraw/zinc/95/44/05/1332954405.db2.gz PFTLXKYDUSVHHY-ZDUSSCGKSA-N -1 1 327.384 2.512 10 30 EFEEMM C=CCCC[C@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)c1ccccc1 ZINC001350225593 1333051262 /nfs/dbraw/zinc/05/12/62/1333051262.db2.gz VLLMOJRBUAWUKH-HOTGVXAUSA-N -1 1 325.416 2.656 10 30 EFEEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001352750832 1333704451 /nfs/dbraw/zinc/70/44/51/1333704451.db2.gz QRMBXIVUXBGASL-UHFFFAOYSA-N -1 1 326.381 2.781 10 30 EFEEMM C=CCCCN(CC)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001355705403 1334853858 /nfs/dbraw/zinc/85/38/58/1334853858.db2.gz IBCGGFFDFVOHCX-UHFFFAOYSA-N -1 1 328.420 2.648 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001356511390 1335046535 /nfs/dbraw/zinc/04/65/35/1335046535.db2.gz LETOZTYTUZKVJP-AWEZNQCLSA-N -1 1 342.447 2.966 10 30 EFEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001356511791 1335046661 /nfs/dbraw/zinc/04/66/61/1335046661.db2.gz OLUUGBZEPUSOBW-UONOGXRCSA-N -1 1 342.447 2.966 10 30 EFEEMM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC(C)C)C1 ZINC001357897122 1335343536 /nfs/dbraw/zinc/34/35/36/1335343536.db2.gz KVRHAXGDYQFZBK-CYBMUJFWSA-N -1 1 330.436 2.822 10 30 EFEEMM CCCCCCCS(=O)(=O)[N-]c1cn(C)nc1Br ZINC000849336278 1335593403 /nfs/dbraw/zinc/59/34/03/1335593403.db2.gz WCTPLPUKCMBRPT-UHFFFAOYSA-N -1 1 338.271 2.895 10 30 EFEEMM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001361765861 1336322257 /nfs/dbraw/zinc/32/22/57/1336322257.db2.gz VISCXDOXCJOQTO-MLGOLLRUSA-N -1 1 341.392 2.586 10 30 EFEEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(Cl)c(C#N)c2)[n-]1 ZINC001361959240 1336439076 /nfs/dbraw/zinc/43/90/76/1336439076.db2.gz PGUPFERVRYKESO-UHFFFAOYSA-N -1 1 345.742 2.781 10 30 EFEEMM C=C(Cl)C[C@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)C(=O)OCC ZINC001365453309 1337227280 /nfs/dbraw/zinc/22/72/80/1337227280.db2.gz SPVXXAGRSPDNSY-LBPRGKRZSA-N -1 1 339.885 2.662 10 30 EFEEMM N#Cc1ccc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)cc1[O-] ZINC001418461912 1374049766 /nfs/dbraw/zinc/04/97/66/1374049766.db2.gz PYXKRWAAILWKSS-MRXNPFEDSA-N -1 1 326.327 2.617 10 30 EFEEMM N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc([O-])c3F)C2)nc1 ZINC001419921223 1376131826 /nfs/dbraw/zinc/13/18/26/1376131826.db2.gz YKMSOCDQRNPMSD-CYBMUJFWSA-N -1 1 340.358 2.515 10 30 EFEEMM N#Cc1ccnc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c1 ZINC001422160600 1379703656 /nfs/dbraw/zinc/70/36/56/1379703656.db2.gz IEWDYRAXPREZGH-UHFFFAOYSA-N -1 1 342.830 2.630 10 30 EFEEMM C=CCN(Cc1cccs1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001440879353 1389975232 /nfs/dbraw/zinc/97/52/32/1389975232.db2.gz HHFDZXYAPHJHQO-UHFFFAOYSA-N -1 1 330.438 2.908 10 30 EFEEMM C=CC[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1ccccc1 ZINC001470630198 1397104375 /nfs/dbraw/zinc/10/43/75/1397104375.db2.gz VECUDOIBHVYTOT-SJORKVTESA-N -1 1 333.395 2.765 10 30 EFEEMM C=CCCCC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001505477502 1404714974 /nfs/dbraw/zinc/71/49/74/1404714974.db2.gz AMCARUYULCLHHQ-GJZGRUSLSA-N -1 1 345.443 2.548 10 30 EFEEMM C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001505477501 1404715041 /nfs/dbraw/zinc/71/50/41/1404715041.db2.gz AMCARUYULCLHHQ-CABCVRRESA-N -1 1 345.443 2.548 10 30 EFEEMM C=C(C)CCC(=O)N1CCC(C)(CNC(=O)c2ncccc2[O-])CC1 ZINC001506653439 1406104977 /nfs/dbraw/zinc/10/49/77/1406104977.db2.gz MRFXXNNIBSSICG-UHFFFAOYSA-N -1 1 345.443 2.502 10 30 EFEEMM C=CC[C@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001556995018 1415101018 /nfs/dbraw/zinc/10/10/18/1415101018.db2.gz VVSPRVLJCXXASP-CQSZACIVSA-N -1 1 327.340 2.613 10 30 EFEEMM C#Cc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC001559043614 1415220627 /nfs/dbraw/zinc/22/06/27/1415220627.db2.gz HGVYCSAWCOJWGG-UHFFFAOYSA-N -1 1 334.379 2.604 10 30 EFEEMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001561596655 1415319559 /nfs/dbraw/zinc/31/95/59/1415319559.db2.gz MWBHKPRCAOWBDD-UHFFFAOYSA-N -1 1 330.381 2.923 10 30 EFEEMM CCC[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)c1nnn[n-]1 ZINC000859946575 1428965754 /nfs/dbraw/zinc/96/57/54/1428965754.db2.gz ZEFFNMLSPBZBHL-HNNXBMFYSA-N -1 1 338.415 2.541 10 30 EFEEMM C=CCCC(=O)NCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001684613699 1416725528 /nfs/dbraw/zinc/72/55/28/1416725528.db2.gz ULNMKNKTJKTKSB-HUUCEWRRSA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1ncccc1[O-] ZINC001687660839 1416854247 /nfs/dbraw/zinc/85/42/47/1416854247.db2.gz YCTSUWWLXLBBTM-GJZGRUSLSA-N -1 1 345.443 2.643 10 30 EFEEMM C=C1CCC(C(=O)NCCN(CCC)C(=O)c2ncccc2[O-])CC1 ZINC001688474484 1416973115 /nfs/dbraw/zinc/97/31/15/1416973115.db2.gz NFJLKJHTYDODHB-UHFFFAOYSA-N -1 1 345.443 2.502 10 30 EFEEMM C=CCC1(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])CCCC1 ZINC001701183789 1417696314 /nfs/dbraw/zinc/69/63/14/1417696314.db2.gz SRADGEBNWLTPPA-CQSZACIVSA-N -1 1 345.443 2.500 10 30 EFEEMM C=C(C)C(C)(C)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])CC(C)C ZINC001704800000 1418153055 /nfs/dbraw/zinc/15/30/55/1418153055.db2.gz HXIQKQGEBWZZTL-CQSZACIVSA-N -1 1 347.459 2.650 10 30 EFEEMM C=CCCC(=O)N1CCC[C@H](C)[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001719479863 1422729940 /nfs/dbraw/zinc/72/99/40/1422729940.db2.gz FYSMRVUPQDLWFZ-LSDHHAIUSA-N -1 1 345.443 2.500 10 30 EFEEMM C=C(C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001719503053 1422736367 /nfs/dbraw/zinc/73/63/67/1422736367.db2.gz RJPFHCJXNPSOIW-CABCVRRESA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCCCC(=O)N1CCC(CCNC(=O)c2ncccc2[O-])CC1 ZINC001721557270 1423817183 /nfs/dbraw/zinc/81/71/83/1423817183.db2.gz PVOULVQOPLNSIW-UHFFFAOYSA-N -1 1 345.443 2.502 10 30 EFEEMM CCCCCCCCC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001722162754 1424223388 /nfs/dbraw/zinc/22/33/88/1424223388.db2.gz QPNHYLUEJHGIEK-UHFFFAOYSA-N -1 1 347.459 2.821 10 30 EFEEMM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000890594990 713105322 /nfs/dbraw/zinc/10/53/22/713105322.db2.gz JRLNKAMTEJMSRI-KGLIPLIRSA-N -1 1 330.384 2.504 10 30 EFEEMM N#Cc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1[O-] ZINC000804737592 713456224 /nfs/dbraw/zinc/45/62/24/713456224.db2.gz UEHLRGQVSRKGNU-UHFFFAOYSA-N -1 1 347.168 2.662 10 30 EFEEMM C=CCCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)OC ZINC000928313478 722159891 /nfs/dbraw/zinc/15/98/91/722159891.db2.gz AEEOGPKQVIVRCV-GFCCVEGCSA-N -1 1 341.791 2.682 10 30 EFEEMM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000915677955 727114358 /nfs/dbraw/zinc/11/43/58/727114358.db2.gz HIPMUULPKJEDAA-CQSZACIVSA-N -1 1 328.384 2.782 10 30 EFEEMM C=CCCC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000908747621 727254443 /nfs/dbraw/zinc/25/44/43/727254443.db2.gz OCUHPXNRGPUYMT-LSDHHAIUSA-N -1 1 349.431 2.525 10 30 EFEEMM Cc1cc(=O)[n-]c(NN=Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000915932413 727639798 /nfs/dbraw/zinc/63/97/98/727639798.db2.gz PWHKQRMGOPAWMG-UHFFFAOYSA-N -1 1 326.278 2.878 10 30 EFEEMM C=C[C@](C)(CC)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001582586989 1091562199 /nfs/dbraw/zinc/56/21/99/1091562199.db2.gz CTEPJFBSCMMNQH-GOSISDBHSA-N -1 1 345.443 2.548 10 30 EFEEMM C=C(C)CCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001582887760 1091759454 /nfs/dbraw/zinc/75/94/54/1091759454.db2.gz SHHWWCGLMZOGGT-LSDHHAIUSA-N -1 1 345.443 2.500 10 30 EFEEMM C=C(C)CCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001582887758 1091759579 /nfs/dbraw/zinc/75/95/79/1091759579.db2.gz SHHWWCGLMZOGGT-GJZGRUSLSA-N -1 1 345.443 2.500 10 30 EFEEMM C=CCC1(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])CCCCC1 ZINC001583751001 1092065268 /nfs/dbraw/zinc/06/52/68/1092065268.db2.gz UUOPYKXPTMDPTF-CQSZACIVSA-N -1 1 345.443 2.548 10 30 EFEEMM N#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCCC1)c1ccc(F)cc1 ZINC001587888048 1092865774 /nfs/dbraw/zinc/86/57/74/1092865774.db2.gz JQYKPJWIYFBQGA-CYBMUJFWSA-N -1 1 326.318 2.837 10 30 EFEEMM N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001606867935 1097464207 /nfs/dbraw/zinc/46/42/07/1097464207.db2.gz GKRAHRRKJUTHJE-OAHLLOKOSA-N -1 1 339.782 2.916 10 30 EFEEMM CSc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1C#N ZINC001611645548 1099026124 /nfs/dbraw/zinc/02/61/24/1099026124.db2.gz ZRYKWKGZNSAJSJ-UHFFFAOYSA-N -1 1 332.356 2.760 10 30 EFEEMM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001621798009 1099448790 /nfs/dbraw/zinc/44/87/90/1099448790.db2.gz VLKVOFHBTUYVNH-ZETCQYMHSA-N -1 1 340.189 2.970 10 30 EFEEMM C=CC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001622657817 1099532929 /nfs/dbraw/zinc/53/29/29/1099532929.db2.gz HLZGIFIVBJDOGA-UHFFFAOYSA-N -1 1 340.189 2.970 10 30 EFEEMM C#CCOc1ccc(CNC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001624399551 1099688871 /nfs/dbraw/zinc/68/88/71/1099688871.db2.gz ZVIYQJJBKQIBON-UHFFFAOYSA-N -1 1 332.359 2.882 10 30 EFEEMM C=C[C@H](C(=O)Nc1ccc(OCc2nn[n-]n2)cc1)c1ccccc1 ZINC001629337576 1100198550 /nfs/dbraw/zinc/19/85/50/1100198550.db2.gz WLVOKSSEPZOYLZ-INIZCTEOSA-N -1 1 335.367 2.687 10 30 EFEEMM C#CCCCCCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001631387933 1100394505 /nfs/dbraw/zinc/39/45/05/1100394505.db2.gz QKEKGLYYUYUNEM-STQMWFEESA-N -1 1 332.366 2.628 10 30 EFEEMM C=CCCCCNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001634474430 1100610835 /nfs/dbraw/zinc/61/08/35/1100610835.db2.gz GLULMUYYUXPFKY-RYUDHWBXSA-N -1 1 335.370 2.584 10 30 EFEEMM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(C#N)nc1 ZINC001637610641 1100793750 /nfs/dbraw/zinc/79/37/50/1100793750.db2.gz VGTGYNSSIXPIMN-UHFFFAOYSA-N -1 1 332.157 2.982 10 30 EFEEMM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC001637957463 1100820673 /nfs/dbraw/zinc/82/06/73/1100820673.db2.gz JPJPSSDLDJUESD-LLVKDONJSA-N -1 1 338.408 2.612 10 30 EFEEMM O=C([C@H]1COc2ccc(O)cc2O1)N([O-])Cc1ccccc1Cl ZINC001639058266 1100908670 /nfs/dbraw/zinc/90/86/70/1100908670.db2.gz BFFFSEDUZHYFGH-OAHLLOKOSA-N -1 1 335.743 2.603 10 30 EFEEMM O=C(NCC#C[C@H]1CCCCO1)c1ccc2ccc(O)cc2c1[O-] ZINC001640381190 1101040841 /nfs/dbraw/zinc/04/08/41/1101040841.db2.gz WMOJNGYXVOPPIG-OAHLLOKOSA-N -1 1 325.364 2.553 10 30 EFEEMM N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ncc3ccccc3c1[O-])C2 ZINC001643167508 1101276594 /nfs/dbraw/zinc/27/65/94/1101276594.db2.gz VEQLGRYDAGRCRP-INIZCTEOSA-N -1 1 329.359 2.709 10 30 EFEEMM CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)c1ccccc1O ZINC001266377743 1101783918 /nfs/dbraw/zinc/78/39/18/1101783918.db2.gz DOSMYGRMQZQJPH-UHFFFAOYSA-N -1 1 340.398 2.635 10 30 EFEEMM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC001212140398 1103572642 /nfs/dbraw/zinc/57/26/42/1103572642.db2.gz DTDCVMXBCUEFEM-AWEZNQCLSA-N -1 1 349.408 2.532 10 30 EFEEMM C#CC(C)(C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC001662127977 1103595481 /nfs/dbraw/zinc/59/54/81/1103595481.db2.gz CYNSZIQQKRWKHU-UHFFFAOYSA-N -1 1 342.667 2.854 10 30 EFEEMM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001662728179 1103773689 /nfs/dbraw/zinc/77/36/89/1103773689.db2.gz XKGBEJLWHTULLL-AWEZNQCLSA-N -1 1 348.355 2.695 10 30 EFEEMM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC001662728180 1103774272 /nfs/dbraw/zinc/77/42/72/1103774272.db2.gz XKGBEJLWHTULLL-CQSZACIVSA-N -1 1 348.355 2.695 10 30 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C=C(C)C(C)(C)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001511804146 1413150080 /nfs/dbraw/zinc/15/00/80/1413150080.db2.gz LCLBIQPJDYORLW-CQSZACIVSA-N -1 1 347.459 2.650 10 30 EFEEMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1ccc(C#N)cc1 ZINC001556827579 1415090292 /nfs/dbraw/zinc/09/02/92/1415090292.db2.gz PMMWHJOISSGQKU-UHFFFAOYSA-N -1 1 335.367 2.955 10 30 EFEEMM N#Cc1ccc(C(=O)N[C@H]2CCc3ccccc3-n3ccnc32)cc1[O-] ZINC001557575349 1415132221 /nfs/dbraw/zinc/13/22/21/1415132221.db2.gz XJVNUPIGNBXCRN-INIZCTEOSA-N -1 1 344.374 2.867 10 30 EFEEMM C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(F)c3[O-])cc2C1=O ZINC001557957014 1415152318 /nfs/dbraw/zinc/15/23/18/1415152318.db2.gz PXQXMJMPTXKOSQ-UHFFFAOYSA-N -1 1 340.310 2.566 10 30 EFEEMM N#Cc1ccccc1/C=C\C(=O)NCCc1c(F)cc([O-])cc1F ZINC001558516712 1415185195 /nfs/dbraw/zinc/18/51/95/1415185195.db2.gz URVTUSXFQZNRLT-WAYWQWQTSA-N -1 1 328.318 2.914 10 30 EFEEMM Cc1[nH]nc(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC001565631709 1415407634 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EFEEMM C=C(C)CCC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001722173568 1424232372 /nfs/dbraw/zinc/23/23/72/1424232372.db2.gz VWFCUTGHARNGKS-HNNXBMFYSA-N -1 1 345.443 2.548 10 30 EFEEMM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc([O-])c1Br ZINC000908711374 727249681 /nfs/dbraw/zinc/24/96/81/727249681.db2.gz XHIIYEOFMJWPGD-LLVKDONJSA-N -1 1 341.205 2.564 10 30 EFEEMM C=C1CC(C)(c2noc([C@@H](C)[N-]S(=O)(=O)c3cccs3)n2)C1 ZINC000896913727 723869580 /nfs/dbraw/zinc/86/95/80/723869580.db2.gz JFKOFDCDFAMYBA-SNVBAGLBSA-N -1 1 339.442 2.778 10 30 EFEEMM C#CCC1(O)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895670663 724252589 /nfs/dbraw/zinc/25/25/89/724252589.db2.gz OLPRGOPVVLLBPO-UHFFFAOYSA-N -1 1 342.208 2.644 10 30 EFEEMM CC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000731157740 726813572 /nfs/dbraw/zinc/81/35/72/726813572.db2.gz QAIJJGAUBZTIAB-GHMZBOCLSA-N -1 1 342.790 2.677 10 30 EFEEMM C=CCCC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000910516040 727447044 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CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc([O-])c1F ZINC001569934195 1085777085 /nfs/dbraw/zinc/77/70/85/1085777085.db2.gz VASVWLIFHUQSPT-UHFFFAOYSA-N -1 1 328.343 2.692 10 30 EFEEMM C=C[C@H](C)[C@@H](C)C(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001572506429 1087504365 /nfs/dbraw/zinc/50/43/65/1087504365.db2.gz SFUAQOASFGETHE-LSDHHAIUSA-N -1 1 347.459 2.554 10 30 EFEEMM C=CCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001572685935 1087596890 /nfs/dbraw/zinc/59/68/90/1087596890.db2.gz GILPMPRGLGJQIO-OAHLLOKOSA-N -1 1 345.443 2.597 10 30 EFEEMM C=C(C)C(C)(C)C(=O)NCCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001577781264 1090178671 /nfs/dbraw/zinc/17/86/71/1090178671.db2.gz KDZJHTMHANXJKE-UHFFFAOYSA-N -1 1 345.443 2.500 10 30 EFEEMM C=CC(C)(C)CC(=O)NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001582591047 1091566828 /nfs/dbraw/zinc/56/68/28/1091566828.db2.gz QDBSBSZBOZTDPU-UHFFFAOYSA-N -1 1 345.443 2.548 10 30 EFEEMM C=CCC(C)(C)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001582850107 1091706290 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EFEEMM C=C(C)C[C@H](NC(=O)c1c([O-])cnc2c(F)cccc21)C(=O)OCC ZINC001651052493 1093521956 /nfs/dbraw/zinc/52/19/56/1093521956.db2.gz PTXXDDMACYIKKW-ZDUSSCGKSA-N -1 1 346.358 2.707 10 30 EFEEMM CC#CCCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001597829864 1094629812 /nfs/dbraw/zinc/62/98/12/1094629812.db2.gz NKIYARYQIZYSAI-UHFFFAOYSA-N -1 1 333.185 2.846 10 30 EFEEMM O=C(NCC#C[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC001606801318 1097456835 /nfs/dbraw/zinc/45/68/35/1097456835.db2.gz IPNQPDQRJGKDGV-GFCCVEGCSA-N -1 1 327.302 2.713 10 30 EFEEMM O=C(NCC#C[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1[O-] ZINC001606801319 1097457221 /nfs/dbraw/zinc/45/72/21/1097457221.db2.gz IPNQPDQRJGKDGV-LBPRGKRZSA-N -1 1 327.302 2.713 10 30 EFEEMM C=CCS(=O)(=O)[N-]c1cccc2cc(Br)cnc21 ZINC000710957224 1097977256 /nfs/dbraw/zinc/97/72/56/1097977256.db2.gz ABXFDYQVRPFYTG-UHFFFAOYSA-N -1 1 327.203 2.925 10 30 EFEEMM O=C(c1cnn(-c2ccccc2)n1)N([O-])Cc1ccccc1Cl ZINC001611650608 1099025487 /nfs/dbraw/zinc/02/54/87/1099025487.db2.gz 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C=CCCCC(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001509360682 1407939837 /nfs/dbraw/zinc/93/98/37/1407939837.db2.gz OVYBPNZJGCSHHR-HNNXBMFYSA-N -1 1 345.443 2.645 10 30 EFEEMM C=CC(C)(C)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001511785143 1413138883 /nfs/dbraw/zinc/13/88/83/1413138883.db2.gz VBANKVFVTTUUAY-CQSZACIVSA-N -1 1 347.459 2.650 10 30 EFEEMM C=C(C)C(C)(C)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001511804144 1413150238 /nfs/dbraw/zinc/15/02/38/1413150238.db2.gz LCLBIQPJDYORLW-AWEZNQCLSA-N -1 1 347.459 2.650 10 30 EFEEMM C=C1CC(C)(C(=O)NCCCC[C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001512676018 1413526978 /nfs/dbraw/zinc/52/69/78/1413526978.db2.gz HOMPFBVHNZISIW-AWEZNQCLSA-N -1 1 345.443 2.548 10 30 EFEEMM C#CCn1ccc(CN(CC)C(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001556461391 1415070580 /nfs/dbraw/zinc/07/05/80/1415070580.db2.gz ZWZIHFVLEBNMFY-UHFFFAOYSA-N -1 1 349.390 2.743 10 30 EFEEMM C=CC1(CC(=O)N(C)CCc2nc([O-])c(C)c(=O)[nH]2)CCCCC1 ZINC001558532773 1415186507 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