smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H](NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000160951075 239058618 /nfs/dbraw/zinc/05/86/18/239058618.db2.gz HAJDCGDBEWYUCC-ACJLOTCBSA-N 1 1 342.443 2.966 10 70 EFIEMO COC(=O)c1ccc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)nn1 ZINC000160800558 201413174 /nfs/dbraw/zinc/41/31/74/201413174.db2.gz YBYJXOHUCNIEPE-LJQANCHMSA-N 1 1 340.427 2.730 10 70 EFIEMO C[C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000159667454 206257174 /nfs/dbraw/zinc/25/71/74/206257174.db2.gz HPYXZBXOWNZSMA-LBPRGKRZSA-N 1 1 337.261 2.859 10 70 EFIEMO CC(C)COc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000159552636 206251070 /nfs/dbraw/zinc/25/10/70/206251070.db2.gz ZSVPNXDXDMAMQW-DLBZAZTESA-N 1 1 347.503 2.535 10 70 EFIEMO CCC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160077661 206277879 /nfs/dbraw/zinc/27/78/79/206277879.db2.gz OEOJKRUBBCYORH-DOTOQJQBSA-N 1 1 336.476 2.902 10 70 EFIEMO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000160269500 206287715 /nfs/dbraw/zinc/28/77/15/206287715.db2.gz JXNXEDBLCNOXSR-SJLPKXTDSA-N 1 1 345.443 2.556 10 70 EFIEMO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160631547 206306721 /nfs/dbraw/zinc/30/67/21/206306721.db2.gz UOEUTSPMMRYXKZ-FBBABVLZSA-N 1 1 344.499 2.969 10 70 EFIEMO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160675495 206309116 /nfs/dbraw/zinc/30/91/16/206309116.db2.gz GRQLYMHBAVYHNX-WRWLIDTKSA-N 1 1 328.456 2.591 10 70 EFIEMO COc1ccc(-c2n[nH]cc2C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161152693 206331522 /nfs/dbraw/zinc/33/15/22/206331522.db2.gz JKRJRAVEPKRSEI-GUYCJALGSA-N 1 1 342.443 2.544 10 70 EFIEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(N(C)C)cc1F ZINC000161364405 206345534 /nfs/dbraw/zinc/34/55/34/206345534.db2.gz CYFONFUETRPZRB-HNNXBMFYSA-N 1 1 330.407 2.701 10 70 EFIEMO Cc1cc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n(C(C)(C)C)n1 ZINC000161147127 544811497 /nfs/dbraw/zinc/81/14/97/544811497.db2.gz VMDGAHWEUGVBJE-DNVCBOLYSA-N 1 1 348.491 2.512 10 70 EFIEMO Cc1cc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n(C(C)(C)C)n1 ZINC000161147127 544811500 /nfs/dbraw/zinc/81/15/00/544811500.db2.gz VMDGAHWEUGVBJE-DNVCBOLYSA-N 1 1 348.491 2.512 10 70 EFIEMO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000161417665 544815064 /nfs/dbraw/zinc/81/50/64/544815064.db2.gz RDPNSLJMAMFZER-CQSZACIVSA-N 1 1 336.457 2.832 10 70 EFIEMO CS(=O)(=O)CCCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000161417665 544815066 /nfs/dbraw/zinc/81/50/66/544815066.db2.gz RDPNSLJMAMFZER-CQSZACIVSA-N 1 1 336.457 2.832 10 70 EFIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)Nc1ccccc1)c1nccs1 ZINC000161102952 310705956 /nfs/dbraw/zinc/70/59/56/310705956.db2.gz RKNHCCAFJJOVSV-WCQYABFASA-N 1 1 332.429 2.921 10 70 EFIEMO CCC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[NH+](C)C ZINC000161254487 310707395 /nfs/dbraw/zinc/70/73/95/310707395.db2.gz YZDICFKPPAVONA-RTBURBONSA-N 1 1 347.503 2.679 10 70 EFIEMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1nccs1 ZINC000161112943 473208611 /nfs/dbraw/zinc/20/86/11/473208611.db2.gz IENCQKCNHJHXNC-JQWIXIFHSA-N 1 1 333.413 2.940 10 70 EFIEMO CCc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cnn1-c1ccccc1 ZINC000161124684 473209392 /nfs/dbraw/zinc/20/93/92/473209392.db2.gz GONWNXALPJZJEP-YJBOKZPZSA-N 1 1 340.471 2.893 10 70 EFIEMO CCC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)[NH+](C)C ZINC000161244792 473219776 /nfs/dbraw/zinc/21/97/76/473219776.db2.gz YRWJFMWTQUBECN-ROUUACIJSA-N 1 1 347.503 2.679 10 70 EFIEMO CCN(C(=O)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1)C1CCCCC1 ZINC000161297408 473224341 /nfs/dbraw/zinc/22/43/41/473224341.db2.gz OCBLXRGRDVQHEJ-MRXNPFEDSA-N 1 1 347.507 2.659 10 70 EFIEMO CCN(C(=O)C[N@H+]1CCC[C@@H](c2nncn2CC)C1)C1CCCCC1 ZINC000161297408 473224343 /nfs/dbraw/zinc/22/43/43/473224343.db2.gz OCBLXRGRDVQHEJ-MRXNPFEDSA-N 1 1 347.507 2.659 10 70 EFIEMO CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nncn3CC)C2)cc1 ZINC000161315313 473225793 /nfs/dbraw/zinc/22/57/93/473225793.db2.gz VVWQZYMXFMKDNK-MRXNPFEDSA-N 1 1 341.459 2.679 10 70 EFIEMO CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nncn3CC)C2)cc1 ZINC000161315313 473225796 /nfs/dbraw/zinc/22/57/96/473225796.db2.gz VVWQZYMXFMKDNK-MRXNPFEDSA-N 1 1 341.459 2.679 10 70 EFIEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000161324928 473226868 /nfs/dbraw/zinc/22/68/68/473226868.db2.gz CSADWQYZBXRLHK-OAHLLOKOSA-N 1 1 345.487 2.534 10 70 EFIEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(Br)ccc2OC)C1 ZINC000161322375 473226925 /nfs/dbraw/zinc/22/69/25/473226925.db2.gz YRZOXXTVDVKYMK-NSHDSACASA-N 1 1 341.249 2.529 10 70 EFIEMO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3nncn3CC)C2)n1 ZINC000161336493 473227222 /nfs/dbraw/zinc/22/72/22/473227222.db2.gz RMDBPYGVCDHSAT-KGLIPLIRSA-N 1 1 332.452 2.964 10 70 EFIEMO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](c3nncn3CC)C2)n1 ZINC000161336493 473227226 /nfs/dbraw/zinc/22/72/26/473227226.db2.gz RMDBPYGVCDHSAT-KGLIPLIRSA-N 1 1 332.452 2.964 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C)c2C)C1 ZINC000161336214 473227319 /nfs/dbraw/zinc/22/73/19/473227319.db2.gz AVPUOWDEHNPQDR-MRXNPFEDSA-N 1 1 341.459 2.733 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C)c2C)C1 ZINC000161336214 473227326 /nfs/dbraw/zinc/22/73/26/473227326.db2.gz AVPUOWDEHNPQDR-MRXNPFEDSA-N 1 1 341.459 2.733 10 70 EFIEMO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H](c3nncn3CC)C2)n1 ZINC000161336621 473227575 /nfs/dbraw/zinc/22/75/75/473227575.db2.gz RMDBPYGVCDHSAT-KBPBESRZSA-N 1 1 332.452 2.964 10 70 EFIEMO CCCCc1noc([C@H](C)[N@H+]2CCC[C@H](c3nncn3CC)C2)n1 ZINC000161336621 473227580 /nfs/dbraw/zinc/22/75/80/473227580.db2.gz RMDBPYGVCDHSAT-KBPBESRZSA-N 1 1 332.452 2.964 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000161345055 473228255 /nfs/dbraw/zinc/22/82/55/473228255.db2.gz QEFXJGSWPMVNFZ-KRWDZBQOSA-N 1 1 347.507 2.564 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)C1 ZINC000161345055 473228259 /nfs/dbraw/zinc/22/82/59/473228259.db2.gz QEFXJGSWPMVNFZ-KRWDZBQOSA-N 1 1 347.507 2.564 10 70 EFIEMO Cc1nnc(-c2cccc(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)c2)o1 ZINC000161341358 473228659 /nfs/dbraw/zinc/22/86/59/473228659.db2.gz DPZNUXRHHKVHCL-BLLLJJGKSA-N 1 1 328.416 2.504 10 70 EFIEMO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)CC1 ZINC000161357592 473229229 /nfs/dbraw/zinc/22/92/29/473229229.db2.gz TWVDCBZPAAOIEM-OAHLLOKOSA-N 1 1 333.480 2.616 10 70 EFIEMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCC[C@@H]2c2nnc[nH]2)CC1 ZINC000161357592 473229235 /nfs/dbraw/zinc/22/92/35/473229235.db2.gz TWVDCBZPAAOIEM-OAHLLOKOSA-N 1 1 333.480 2.616 10 70 EFIEMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(SC)cc1OC ZINC000159521058 473035361 /nfs/dbraw/zinc/03/53/61/473035361.db2.gz AQHXPIWNFWBAHO-NWDGAFQWSA-N 1 1 338.473 2.512 10 70 EFIEMO CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159535405 473037370 /nfs/dbraw/zinc/03/73/70/473037370.db2.gz SDSYUPMPMQRYCX-AAEUAGOBSA-N 1 1 340.851 2.833 10 70 EFIEMO Cc1noc(Cl)c1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000159599463 473042619 /nfs/dbraw/zinc/04/26/19/473042619.db2.gz SEITVMCZBDHZRR-UHFFFAOYSA-N 1 1 327.856 2.950 10 70 EFIEMO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159637285 473046920 /nfs/dbraw/zinc/04/69/20/473046920.db2.gz GTNSKPOFDRHTOP-QAPCUYQASA-N 1 1 333.476 2.893 10 70 EFIEMO CCCCOc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159632940 473047291 /nfs/dbraw/zinc/04/72/91/473047291.db2.gz SNIFTPLNRJBCEP-GOEBONIOSA-N 1 1 334.460 2.960 10 70 EFIEMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159991135 473079031 /nfs/dbraw/zinc/07/90/31/473079031.db2.gz HTNQIFYZWKFNSD-AWEZNQCLSA-N 1 1 340.508 2.933 10 70 EFIEMO CC(C)N(C[C@H](C)O)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000160035688 473083036 /nfs/dbraw/zinc/08/30/36/473083036.db2.gz GQFDKUYOEDUAAL-INIZCTEOSA-N 1 1 335.492 2.828 10 70 EFIEMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000160236845 473098836 /nfs/dbraw/zinc/09/88/36/473098836.db2.gz RJLDZYGHCKJZED-SFHVURJKSA-N 1 1 346.450 2.831 10 70 EFIEMO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000160315944 473107138 /nfs/dbraw/zinc/10/71/38/473107138.db2.gz UJPIHDUCISATCO-IBGZPJMESA-N 1 1 339.439 2.852 10 70 EFIEMO COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000160315944 473107146 /nfs/dbraw/zinc/10/71/46/473107146.db2.gz UJPIHDUCISATCO-IBGZPJMESA-N 1 1 339.439 2.852 10 70 EFIEMO COCCC1(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CCC1 ZINC000160388977 473115956 /nfs/dbraw/zinc/11/59/56/473115956.db2.gz CJFLZOUWUQDWDG-MRXNPFEDSA-N 1 1 325.497 2.613 10 70 EFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000160473891 473130386 /nfs/dbraw/zinc/13/03/86/473130386.db2.gz GRCJHNPFXOVWKA-OAHLLOKOSA-N 1 1 344.434 2.862 10 70 EFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1OCCc2ccccc21 ZINC000160499778 473134003 /nfs/dbraw/zinc/13/40/03/473134003.db2.gz CJWVVRXLEOERKL-MJGOQNOKSA-N 1 1 330.472 2.927 10 70 EFIEMO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1)C(C)C ZINC000160522973 473137179 /nfs/dbraw/zinc/13/71/79/473137179.db2.gz NXFXBKGYGLEMIY-YJBOKZPZSA-N 1 1 345.487 2.643 10 70 EFIEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160576210 473144340 /nfs/dbraw/zinc/14/43/40/473144340.db2.gz KAPLWWNZYPSALM-CQSZACIVSA-N 1 1 347.434 2.557 10 70 EFIEMO COCc1nc(C)c(C(=O)NCC[N@@H+](C)C2CCCCC2)s1 ZINC000160656609 473157658 /nfs/dbraw/zinc/15/76/58/473157658.db2.gz FPDPKUQPKYACLI-UHFFFAOYSA-N 1 1 325.478 2.592 10 70 EFIEMO C[C@@H]([NH2+]CC[S@](=O)c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000160776025 473173964 /nfs/dbraw/zinc/17/39/64/473173964.db2.gz XRDXIJJTGRSIOW-OYLFLEFRSA-N 1 1 340.452 2.726 10 70 EFIEMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000160804245 473177118 /nfs/dbraw/zinc/17/71/18/473177118.db2.gz RRKXOBRNWQOTHV-SCLBCKFNSA-N 1 1 338.386 2.889 10 70 EFIEMO Cc1ccc([C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)CCO2)o1 ZINC000160827071 473180084 /nfs/dbraw/zinc/18/00/84/473180084.db2.gz WTJVMIOWGICRDJ-FUHWJXTLSA-N 1 1 349.475 2.791 10 70 EFIEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160866925 473185068 /nfs/dbraw/zinc/18/50/68/473185068.db2.gz MUMXJDOYFDVUTP-CQSZACIVSA-N 1 1 330.432 2.823 10 70 EFIEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cnc2ccccn12 ZINC000160866925 473185076 /nfs/dbraw/zinc/18/50/76/473185076.db2.gz MUMXJDOYFDVUTP-CQSZACIVSA-N 1 1 330.432 2.823 10 70 EFIEMO CCCCNc1ccccc1C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000160895371 473188001 /nfs/dbraw/zinc/18/80/01/473188001.db2.gz WUJXEACSNZXWDU-INIZCTEOSA-N 1 1 333.476 2.691 10 70 EFIEMO CCCCNc1ccccc1C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000160895371 473188008 /nfs/dbraw/zinc/18/80/08/473188008.db2.gz WUJXEACSNZXWDU-INIZCTEOSA-N 1 1 333.476 2.691 10 70 EFIEMO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000160964903 473194781 /nfs/dbraw/zinc/19/47/81/473194781.db2.gz SFRFUNTXGGASDB-GUDVDZBRSA-N 1 1 343.471 2.786 10 70 EFIEMO CC(C)[N@@H+](CCc1nccs1)C[C@@H](O)COc1ccc(F)cc1 ZINC000159817918 528916617 /nfs/dbraw/zinc/91/66/17/528916617.db2.gz VTHWJZGAQHMWTC-OAHLLOKOSA-N 1 1 338.448 2.975 10 70 EFIEMO CC(C)[N@@H+](CCc1nccs1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000159855629 528916713 /nfs/dbraw/zinc/91/67/13/528916713.db2.gz MXGJYEZFRUCOGQ-NSHDSACASA-N 1 1 335.395 2.559 10 70 EFIEMO CC[N@H+]1CCCN(C(=O)NCCc2ccc(OC)cc2Cl)CC1 ZINC000159989150 529025790 /nfs/dbraw/zinc/02/57/90/529025790.db2.gz QGVXPZAYNHEOOV-UHFFFAOYSA-N 1 1 339.867 2.628 10 70 EFIEMO CC[N@H+]1CCCN(C(=O)NCc2ccc(F)cc2CSC)CC1 ZINC000159964314 529027551 /nfs/dbraw/zinc/02/75/51/529027551.db2.gz LRVAAOQXLCQPGL-UHFFFAOYSA-N 1 1 339.480 2.926 10 70 EFIEMO CC[C@](C)(O)C[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000161078883 529372735 /nfs/dbraw/zinc/37/27/35/529372735.db2.gz UMHMXJZRHHXVTG-ZFWWWQNUSA-N 1 1 335.366 2.538 10 70 EFIEMO COC[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000160951192 533063995 /nfs/dbraw/zinc/06/39/95/533063995.db2.gz HAJDCGDBEWYUCC-UGSOOPFHSA-N 1 1 342.443 2.966 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000161303922 544812273 /nfs/dbraw/zinc/81/22/73/544812273.db2.gz RALSSMDRWRDLCQ-INIZCTEOSA-N 1 1 344.459 2.955 10 70 EFIEMO C[C@H](c1cccc(F)c1)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000159468559 544796878 /nfs/dbraw/zinc/79/68/78/544796878.db2.gz QDWAEEQVXGFBRS-APWZRJJASA-N 1 1 336.451 2.700 10 70 EFIEMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(=O)n2ccccc2n1 ZINC000159770856 544798627 /nfs/dbraw/zinc/79/86/27/544798627.db2.gz IHTWSJKJOWYLFC-UHFFFAOYSA-N 1 1 328.441 2.604 10 70 EFIEMO CC[NH+]1CCN([C@@H]2CCN(c3ccnc4c(F)cc(F)cc34)C2)CC1 ZINC000159370629 276198984 /nfs/dbraw/zinc/19/89/84/276198984.db2.gz IDXGBNUAUHVEHL-OAHLLOKOSA-N 1 1 346.425 2.729 10 70 EFIEMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000160804348 278361148 /nfs/dbraw/zinc/36/11/48/278361148.db2.gz RRKXOBRNWQOTHV-FZKQIMNGSA-N 1 1 338.386 2.889 10 70 EFIEMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2CCC(F)(F)CC2)C[C@@H](C)O1 ZINC000160002975 297013102 /nfs/dbraw/zinc/01/31/02/297013102.db2.gz WFGAWJXIVKDZOW-FMKPAKJESA-N 1 1 344.446 2.912 10 70 EFIEMO CCc1cccc(CC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000160357365 310697909 /nfs/dbraw/zinc/69/79/09/310697909.db2.gz CIHSEGSYWNQCNN-UHFFFAOYSA-N 1 1 332.488 2.608 10 70 EFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(Nc3cnccn3)c2)[C@@H](C)C1 ZINC000161119394 473209228 /nfs/dbraw/zinc/20/92/28/473209228.db2.gz ADQPUAUMLOLTOP-YOEHRIQHSA-N 1 1 339.443 2.679 10 70 EFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(Nc3cnccn3)c2)C1 ZINC000161119262 473209661 /nfs/dbraw/zinc/20/96/61/473209661.db2.gz ADQPUAUMLOLTOP-PBHICJAKSA-N 1 1 339.443 2.679 10 70 EFIEMO COC(=O)CCn1nc(C)c(C[N@@H+](C)Cc2ccc(F)cc2)c1C ZINC000161146192 473212092 /nfs/dbraw/zinc/21/20/92/473212092.db2.gz NNRCZHXDELNIEV-UHFFFAOYSA-N 1 1 333.407 2.834 10 70 EFIEMO CC[NH+](CC)[C@@H](C(=O)N[C@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161158155 473213442 /nfs/dbraw/zinc/21/34/42/473213442.db2.gz ZTWCTFUQJUJMQG-RDTXWAMCSA-N 1 1 328.460 2.848 10 70 EFIEMO CCN(C(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1)C1CCCCC1 ZINC000161297472 473224423 /nfs/dbraw/zinc/22/44/23/473224423.db2.gz OCBLXRGRDVQHEJ-INIZCTEOSA-N 1 1 347.507 2.659 10 70 EFIEMO CCN(C(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1)C1CCCCC1 ZINC000161297472 473224428 /nfs/dbraw/zinc/22/44/28/473224428.db2.gz OCBLXRGRDVQHEJ-INIZCTEOSA-N 1 1 347.507 2.659 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000161292162 473224766 /nfs/dbraw/zinc/22/47/66/473224766.db2.gz NITBJGWHSUYMMV-UONOGXRCSA-N 1 1 345.422 2.644 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000161292162 473224771 /nfs/dbraw/zinc/22/47/71/473224771.db2.gz NITBJGWHSUYMMV-UONOGXRCSA-N 1 1 345.422 2.644 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000161328480 473226725 /nfs/dbraw/zinc/22/67/25/473226725.db2.gz KAKRXYSLHONERJ-HNNXBMFYSA-N 1 1 330.432 2.565 10 70 EFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000161343035 473228753 /nfs/dbraw/zinc/22/87/53/473228753.db2.gz QELCSCNKDILIRC-KDOFPFPSSA-N 1 1 339.439 2.704 10 70 EFIEMO CC(=O)c1ccc(OCCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000161386783 473231906 /nfs/dbraw/zinc/23/19/06/473231906.db2.gz JKIRDSRMBKSEFR-BEFAXECRSA-N 1 1 346.471 2.893 10 70 EFIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000159526082 473035951 /nfs/dbraw/zinc/03/59/51/473035951.db2.gz LCIRXDLTTKEBGA-CXAGYDPISA-N 1 1 327.403 2.974 10 70 EFIEMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(SC)cc1OC ZINC000159520913 473036048 /nfs/dbraw/zinc/03/60/48/473036048.db2.gz AQHXPIWNFWBAHO-VXGBXAGGSA-N 1 1 338.473 2.512 10 70 EFIEMO COc1sc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Br ZINC000159553782 473039082 /nfs/dbraw/zinc/03/90/82/473039082.db2.gz GZAWAIYSMNERPW-IUCAKERBSA-N 1 1 347.278 2.605 10 70 EFIEMO COc1sc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Br ZINC000159553782 473039088 /nfs/dbraw/zinc/03/90/88/473039088.db2.gz GZAWAIYSMNERPW-IUCAKERBSA-N 1 1 347.278 2.605 10 70 EFIEMO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159824241 473063266 /nfs/dbraw/zinc/06/32/66/473063266.db2.gz BCORLBDVNJVHFO-HIRMHNASSA-N 1 1 330.472 2.836 10 70 EFIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCc1ccc(F)cc1 ZINC000159850913 473065928 /nfs/dbraw/zinc/06/59/28/473065928.db2.gz ZFIGQJQTWRURKG-UHFFFAOYSA-N 1 1 335.448 2.852 10 70 EFIEMO C[C@@H](O)C[N@H+]1CCN(CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159912339 473071281 /nfs/dbraw/zinc/07/12/81/473071281.db2.gz SWUHFNVGKJIJPQ-UONOGXRCSA-N 1 1 346.393 2.515 10 70 EFIEMO C[C@@H](O)CN1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159912339 473071284 /nfs/dbraw/zinc/07/12/84/473071284.db2.gz SWUHFNVGKJIJPQ-UONOGXRCSA-N 1 1 346.393 2.515 10 70 EFIEMO C[C@@H](O)CN1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159912339 473071291 /nfs/dbraw/zinc/07/12/91/473071291.db2.gz SWUHFNVGKJIJPQ-UONOGXRCSA-N 1 1 346.393 2.515 10 70 EFIEMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C(=O)OC(C)(C)C)cc2)C[C@@H]1C ZINC000159910322 473071310 /nfs/dbraw/zinc/07/13/10/473071310.db2.gz IYDBHUZXNNXJJN-JKSUJKDBSA-N 1 1 348.487 2.529 10 70 EFIEMO Fc1ccccc1-c1cnc(C[NH+]2CCC(n3cncn3)CC2)o1 ZINC000159908267 473071811 /nfs/dbraw/zinc/07/18/11/473071811.db2.gz HTJIDJBVBGYINJ-UHFFFAOYSA-N 1 1 327.363 2.909 10 70 EFIEMO C[C@@H](N1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1)C(F)(F)F ZINC000160022497 473082181 /nfs/dbraw/zinc/08/21/81/473082181.db2.gz CQBPYOIPZQJWPP-CQSZACIVSA-N 1 1 347.400 2.826 10 70 EFIEMO CC(C)N(C[C@@H](C)O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160403834 473118904 /nfs/dbraw/zinc/11/89/04/473118904.db2.gz YKWRAAMKZCIPCA-IXDOHACOSA-N 1 1 327.513 2.545 10 70 EFIEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160439686 473126341 /nfs/dbraw/zinc/12/63/41/473126341.db2.gz IEWINFMAMJYUCN-MRXNPFEDSA-N 1 1 333.480 2.563 10 70 EFIEMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160540513 473139033 /nfs/dbraw/zinc/13/90/33/473139033.db2.gz GMLSEOOENSDTIQ-HOCLYGCPSA-N 1 1 330.428 2.701 10 70 EFIEMO C[N@@H+](CCNC(=O)c1ccnc(OCC(F)F)c1)C1CCCCC1 ZINC000160654961 473156968 /nfs/dbraw/zinc/15/69/68/473156968.db2.gz AKTVNOVVRGEBCA-UHFFFAOYSA-N 1 1 341.402 2.720 10 70 EFIEMO CC[C@](C)(O)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000160692677 473162477 /nfs/dbraw/zinc/16/24/77/473162477.db2.gz BLYSLINOOFSAJA-GJZGRUSLSA-N 1 1 328.250 2.983 10 70 EFIEMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160699172 473163781 /nfs/dbraw/zinc/16/37/81/473163781.db2.gz XUFMVLBHYFPFBO-YLJYHZDGSA-N 1 1 348.462 2.801 10 70 EFIEMO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@H](C)CC3)nc(N)c21 ZINC000160718620 473165483 /nfs/dbraw/zinc/16/54/83/473165483.db2.gz VUJHBCFVZRHFLX-NSHDSACASA-N 1 1 346.431 2.912 10 70 EFIEMO CCCN(CCc1ccccn1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160752929 473170671 /nfs/dbraw/zinc/17/06/71/473170671.db2.gz BIDHLMGHKUEXIX-SFHVURJKSA-N 1 1 330.476 2.530 10 70 EFIEMO CCC(CC)(C[NH2+]Cc1noc(-c2ccc(OC)cc2)n1)C(=O)OC ZINC000159666168 517536790 /nfs/dbraw/zinc/53/67/90/517536790.db2.gz IYDKVCNTUSODDF-UHFFFAOYSA-N 1 1 347.415 2.814 10 70 EFIEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1 ZINC000161325077 521709951 /nfs/dbraw/zinc/70/99/51/521709951.db2.gz CSADWQYZBXRLHK-HNNXBMFYSA-N 1 1 345.487 2.534 10 70 EFIEMO CC(C)SCC[N@H+]1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000218229335 535104203 /nfs/dbraw/zinc/10/42/03/535104203.db2.gz MFCLIKMJUPXLTP-UHFFFAOYSA-N 1 1 344.484 2.675 10 70 EFIEMO COC[C@@H](NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000160951310 239060056 /nfs/dbraw/zinc/06/00/56/239060056.db2.gz HAJDCGDBEWYUCC-FZKQIMNGSA-N 1 1 342.443 2.966 10 70 EFIEMO COCC[N@H+]1CCN(CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159923057 532966162 /nfs/dbraw/zinc/96/61/62/532966162.db2.gz QSCMJCBACADVAP-AWEZNQCLSA-N 1 1 346.393 2.780 10 70 EFIEMO COCCN1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159923057 532966172 /nfs/dbraw/zinc/96/61/72/532966172.db2.gz QSCMJCBACADVAP-AWEZNQCLSA-N 1 1 346.393 2.780 10 70 EFIEMO COCCN1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C ZINC000159923057 532966174 /nfs/dbraw/zinc/96/61/74/532966174.db2.gz QSCMJCBACADVAP-AWEZNQCLSA-N 1 1 346.393 2.780 10 70 EFIEMO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1)C(C)C ZINC000160522828 285098591 /nfs/dbraw/zinc/09/85/91/285098591.db2.gz NXFXBKGYGLEMIY-MAUKXSAKSA-N 1 1 345.487 2.643 10 70 EFIEMO C[C@@H](CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000160072912 533417951 /nfs/dbraw/zinc/41/79/51/533417951.db2.gz XZRJOXVUKWTAII-LBPRGKRZSA-N 1 1 325.250 2.717 10 70 EFIEMO Cc1cnn(CCCCC[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159525226 225233442 /nfs/dbraw/zinc/23/34/42/225233442.db2.gz BSOCXMXHTAOJPF-ROUUACIJSA-N 1 1 347.459 2.779 10 70 EFIEMO Cc1cnn(CCCCC[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159525226 225233446 /nfs/dbraw/zinc/23/34/46/225233446.db2.gz BSOCXMXHTAOJPF-ROUUACIJSA-N 1 1 347.459 2.779 10 70 EFIEMO C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159940351 225307113 /nfs/dbraw/zinc/30/71/13/225307113.db2.gz OGSCCHOHQPHGGP-SZVBFZGTSA-N 1 1 328.456 2.773 10 70 EFIEMO C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000159940351 225307116 /nfs/dbraw/zinc/30/71/16/225307116.db2.gz OGSCCHOHQPHGGP-SZVBFZGTSA-N 1 1 328.456 2.773 10 70 EFIEMO C[NH+](C)CCN1CCC(CNC(=O)CC/C=C/c2ccccc2)CC1 ZINC000160139544 225346598 /nfs/dbraw/zinc/34/65/98/225346598.db2.gz ZRLIJJJQHCBXEM-UXBLZVDNSA-N 1 1 343.515 2.870 10 70 EFIEMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000160804117 278377876 /nfs/dbraw/zinc/37/78/76/278377876.db2.gz RRKXOBRNWQOTHV-ACJLOTCBSA-N 1 1 338.386 2.889 10 70 EFIEMO Clc1ccc2c(c1)ncnc2N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160413718 294110127 /nfs/dbraw/zinc/11/01/27/294110127.db2.gz ORTARXUMNJKNRR-AWEZNQCLSA-N 1 1 332.835 2.584 10 70 EFIEMO Cc1cc(C[C@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)n[nH]1 ZINC000161090229 473206214 /nfs/dbraw/zinc/20/62/14/473206214.db2.gz MDZPKKJAJBXIBN-AWEZNQCLSA-N 1 1 326.444 2.675 10 70 EFIEMO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCc1ccccc1)c1nccs1 ZINC000161093993 473206275 /nfs/dbraw/zinc/20/62/75/473206275.db2.gz JVQLJIUHXBUAQB-TZMCWYRMSA-N 1 1 346.456 2.598 10 70 EFIEMO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](CCn2cccn2)C1 ZINC000161111431 473208056 /nfs/dbraw/zinc/20/80/56/473208056.db2.gz WZQDUYUFPUAMQF-LSDHHAIUSA-N 1 1 325.334 2.710 10 70 EFIEMO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCn2cccn2)C1 ZINC000161111431 473208058 /nfs/dbraw/zinc/20/80/58/473208058.db2.gz WZQDUYUFPUAMQF-LSDHHAIUSA-N 1 1 325.334 2.710 10 70 EFIEMO CCCc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000161125777 473209554 /nfs/dbraw/zinc/20/95/54/473209554.db2.gz HQVQNDYWAQBOMI-LRDDRELGSA-N 1 1 333.476 2.937 10 70 EFIEMO CSc1cccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161143885 473211099 /nfs/dbraw/zinc/21/10/99/473211099.db2.gz SIIYXZBKFQOURT-KDOFPFPSSA-N 1 1 334.485 2.974 10 70 EFIEMO CC[C@@](C)(O)C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000161136560 473211409 /nfs/dbraw/zinc/21/14/09/473211409.db2.gz BWZFWELWZFCGAG-SWLSCSKDSA-N 1 1 335.366 2.538 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000161275680 473222385 /nfs/dbraw/zinc/22/23/85/473222385.db2.gz QNRYSOSWTVAGSO-HNNXBMFYSA-N 1 1 336.443 2.929 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000161275680 473222390 /nfs/dbraw/zinc/22/23/90/473222390.db2.gz QNRYSOSWTVAGSO-HNNXBMFYSA-N 1 1 336.443 2.929 10 70 EFIEMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC000161284912 473223946 /nfs/dbraw/zinc/22/39/46/473223946.db2.gz QNHJOSWUBUIBQO-CQSZACIVSA-N 1 1 347.400 2.826 10 70 EFIEMO Cc1ccc(C2(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)CCOCC2)cc1 ZINC000161286097 473224127 /nfs/dbraw/zinc/22/41/27/473224127.db2.gz DOUVIDRZHIRHKH-PKOBYXMFSA-N 1 1 344.499 2.888 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000161317504 473225830 /nfs/dbraw/zinc/22/58/30/473225830.db2.gz ZODHSLJJAKJMKM-ZDUSSCGKSA-N 1 1 347.850 2.770 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000161317504 473225834 /nfs/dbraw/zinc/22/58/34/473225834.db2.gz ZODHSLJJAKJMKM-ZDUSSCGKSA-N 1 1 347.850 2.770 10 70 EFIEMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(Br)ccc2OC)C1 ZINC000161322248 473226764 /nfs/dbraw/zinc/22/67/64/473226764.db2.gz YRZOXXTVDVKYMK-LLVKDONJSA-N 1 1 341.249 2.529 10 70 EFIEMO CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000161356885 473229759 /nfs/dbraw/zinc/22/97/59/473229759.db2.gz FGZMWUGBQDHUHT-RBUKOAKNSA-N 1 1 339.439 2.754 10 70 EFIEMO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161332637 473227415 /nfs/dbraw/zinc/22/74/15/473227415.db2.gz MBWYZUOUCJYVBB-INIZCTEOSA-N 1 1 341.459 2.679 10 70 EFIEMO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161332637 473227420 /nfs/dbraw/zinc/22/74/20/473227420.db2.gz MBWYZUOUCJYVBB-INIZCTEOSA-N 1 1 341.459 2.679 10 70 EFIEMO CCCc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)[nH]c(C)c1C(=O)OC ZINC000161403488 473232808 /nfs/dbraw/zinc/23/28/08/473232808.db2.gz LWENCQRTOFOXNQ-SWLSCSKDSA-N 1 1 349.475 2.521 10 70 EFIEMO CCOCCC1(CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000161426165 473234821 /nfs/dbraw/zinc/23/48/21/473234821.db2.gz UVNXUYAYYPBZSK-UHFFFAOYSA-N 1 1 348.491 2.591 10 70 EFIEMO CC[N@H+](CCc1nccs1)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159368305 473022136 /nfs/dbraw/zinc/02/21/36/473022136.db2.gz KRKVGLRFBSCQPX-UHFFFAOYSA-N 1 1 349.504 2.677 10 70 EFIEMO CC[N@@H+](CCc1nccs1)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159368305 473022139 /nfs/dbraw/zinc/02/21/39/473022139.db2.gz KRKVGLRFBSCQPX-UHFFFAOYSA-N 1 1 349.504 2.677 10 70 EFIEMO C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(C)CCCc3ccccc32)C[C@H](C)O1 ZINC000159393513 473024317 /nfs/dbraw/zinc/02/43/17/473024317.db2.gz ZTOFJYNAKWIELM-LLGFUMIMSA-N 1 1 344.499 2.896 10 70 EFIEMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(SC)cc1OC ZINC000159520747 473035599 /nfs/dbraw/zinc/03/55/99/473035599.db2.gz AQHXPIWNFWBAHO-RYUDHWBXSA-N 1 1 338.473 2.512 10 70 EFIEMO CCN1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cn2)CC1 ZINC000159530157 473035708 /nfs/dbraw/zinc/03/57/08/473035708.db2.gz GSNOUFJPRXGDHH-KRWDZBQOSA-N 1 1 346.519 2.659 10 70 EFIEMO COc1sc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Br ZINC000159553652 473039126 /nfs/dbraw/zinc/03/91/26/473039126.db2.gz GZAWAIYSMNERPW-BDAKNGLRSA-N 1 1 347.278 2.605 10 70 EFIEMO COc1sc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Br ZINC000159553652 473039134 /nfs/dbraw/zinc/03/91/34/473039134.db2.gz GZAWAIYSMNERPW-BDAKNGLRSA-N 1 1 347.278 2.605 10 70 EFIEMO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159637407 473046942 /nfs/dbraw/zinc/04/69/42/473046942.db2.gz GTNSKPOFDRHTOP-YJBOKZPZSA-N 1 1 333.476 2.893 10 70 EFIEMO CCOc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC(F)F ZINC000159681800 473051233 /nfs/dbraw/zinc/05/12/33/473051233.db2.gz IYSGLTHMGJLFBL-WCQYABFASA-N 1 1 342.386 2.773 10 70 EFIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160532082 473137679 /nfs/dbraw/zinc/13/76/79/473137679.db2.gz NIDKHEMZSNPKHN-WDEREUQCSA-N 1 1 331.243 2.958 10 70 EFIEMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160526576 473138220 /nfs/dbraw/zinc/13/82/20/473138220.db2.gz BBQSMWHPOUXDTE-IDHHARJASA-N 1 1 348.512 2.648 10 70 EFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CSC[C@@H]1CCCCO1 ZINC000160577345 473145098 /nfs/dbraw/zinc/14/50/98/473145098.db2.gz NPWJUONTFLJXJJ-CVEARBPZSA-N 1 1 328.522 2.525 10 70 EFIEMO CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000160612320 473150769 /nfs/dbraw/zinc/15/07/69/473150769.db2.gz DTVOJEPOTMUKBX-SJLPKXTDSA-N 1 1 337.552 2.933 10 70 EFIEMO CCN1CC[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000160612320 473150782 /nfs/dbraw/zinc/15/07/82/473150782.db2.gz DTVOJEPOTMUKBX-SJLPKXTDSA-N 1 1 337.552 2.933 10 70 EFIEMO CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000160612320 473150791 /nfs/dbraw/zinc/15/07/91/473150791.db2.gz DTVOJEPOTMUKBX-SJLPKXTDSA-N 1 1 337.552 2.933 10 70 EFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C2CC2)cs1 ZINC000160637641 473154867 /nfs/dbraw/zinc/15/48/67/473154867.db2.gz NKFXCYCQGCIDKJ-CQSZACIVSA-N 1 1 336.505 2.940 10 70 EFIEMO C[N@@H+](CCN1CCc2ccccc2[C@@H]1CO)Cc1ccc(F)cc1 ZINC000160691710 473161643 /nfs/dbraw/zinc/16/16/43/473161643.db2.gz VFEXUDGKLZQEID-FQEVSTJZSA-N 1 1 328.431 2.849 10 70 EFIEMO CN(CC[N@@H+]1CCc2ccccc2[C@@H]1CO)Cc1ccc(F)cc1 ZINC000160691710 473161652 /nfs/dbraw/zinc/16/16/52/473161652.db2.gz VFEXUDGKLZQEID-FQEVSTJZSA-N 1 1 328.431 2.849 10 70 EFIEMO CN(CC[N@H+]1CCc2ccccc2[C@@H]1CO)Cc1ccc(F)cc1 ZINC000160691710 473161661 /nfs/dbraw/zinc/16/16/61/473161661.db2.gz VFEXUDGKLZQEID-FQEVSTJZSA-N 1 1 328.431 2.849 10 70 EFIEMO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000160692807 473162251 /nfs/dbraw/zinc/16/22/51/473162251.db2.gz BLYSLINOOFSAJA-LSDHHAIUSA-N 1 1 328.250 2.983 10 70 EFIEMO C[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000160775664 473173585 /nfs/dbraw/zinc/17/35/85/473173585.db2.gz XRDXIJJTGRSIOW-OWJWWREXSA-N 1 1 340.452 2.726 10 70 EFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccn(C2CCCC2)n1 ZINC000160792542 473176041 /nfs/dbraw/zinc/17/60/41/473176041.db2.gz XDEGSWIFAQMGFB-GOSISDBHSA-N 1 1 347.507 2.918 10 70 EFIEMO CC(C)[C@H](O)CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000160802123 473176555 /nfs/dbraw/zinc/17/65/55/473176555.db2.gz JSNLOJDNUWOTJY-LJQANCHMSA-N 1 1 344.455 2.935 10 70 EFIEMO CC(C)[C@H](O)CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000160802123 473176560 /nfs/dbraw/zinc/17/65/60/473176560.db2.gz JSNLOJDNUWOTJY-LJQANCHMSA-N 1 1 344.455 2.935 10 70 EFIEMO CCn1ccnc(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1=O ZINC000160802951 473177839 /nfs/dbraw/zinc/17/78/39/473177839.db2.gz XSBAQMLWYJDKLO-IBGZPJMESA-N 1 1 326.444 2.730 10 70 EFIEMO Cc1ccc([C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)CCO2)o1 ZINC000160826949 473179743 /nfs/dbraw/zinc/17/97/43/473179743.db2.gz WTJVMIOWGICRDJ-WMZOPIPTSA-N 1 1 349.475 2.791 10 70 EFIEMO Cc1ccc([C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)CCO2)o1 ZINC000160827193 473180074 /nfs/dbraw/zinc/18/00/74/473180074.db2.gz WTJVMIOWGICRDJ-AEFFLSMTSA-N 1 1 349.475 2.791 10 70 EFIEMO COC(=O)CC[N@H+](Cc1nnc(-c2ccccc2)n1C)CC(C)C ZINC000160859991 473184428 /nfs/dbraw/zinc/18/44/28/473184428.db2.gz RJPHYJQYOCNACF-UHFFFAOYSA-N 1 1 330.432 2.503 10 70 EFIEMO C[C@H](O)[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000160932491 473192678 /nfs/dbraw/zinc/19/26/78/473192678.db2.gz XAUSPEKRDRMPPU-WDEREUQCSA-N 1 1 338.249 2.918 10 70 EFIEMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000160932491 473192683 /nfs/dbraw/zinc/19/26/83/473192683.db2.gz XAUSPEKRDRMPPU-WDEREUQCSA-N 1 1 338.249 2.918 10 70 EFIEMO C[C@H]1C[C@@H](Nc2cc(=O)n3ccccc3n2)C[N@H+]1Cc1ccccc1 ZINC000160948914 473193674 /nfs/dbraw/zinc/19/36/74/473193674.db2.gz XCGKREGCVXDTHD-DOTOQJQBSA-N 1 1 334.423 2.769 10 70 EFIEMO O=C(NCCc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000217523876 474143184 /nfs/dbraw/zinc/14/31/84/474143184.db2.gz DCDDUBPCGAUIPV-UHFFFAOYSA-N 1 1 341.430 2.896 10 70 EFIEMO CC(C)[C@@H](CNC(=O)CC/C=C/c1ccccc1)N1CC[NH+](C)CC1 ZINC000160047547 528448033 /nfs/dbraw/zinc/44/80/33/528448033.db2.gz AAZJVNBEQUZVSL-WUTDNEBXSA-N 1 1 343.515 2.868 10 70 EFIEMO CC[N@H+]1CCCN(C(=O)NCCc2c[nH]c3cccc(C)c23)CC1 ZINC000159817236 529024232 /nfs/dbraw/zinc/02/42/32/529024232.db2.gz ZIUVZJGYHOTGRM-UHFFFAOYSA-N 1 1 328.460 2.756 10 70 EFIEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cn(C)nc2-c2cccs2)[C@@H](C)C1 ZINC000159737584 529104517 /nfs/dbraw/zinc/10/45/17/529104517.db2.gz RSQQEEFTGNJDCP-JSGCOSHPSA-N 1 1 332.473 2.607 10 70 EFIEMO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000161083851 529942431 /nfs/dbraw/zinc/94/24/31/529942431.db2.gz BPLODIAXTIXHJT-GOSISDBHSA-N 1 1 342.439 2.608 10 70 EFIEMO CSc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160311984 532997280 /nfs/dbraw/zinc/99/72/80/532997280.db2.gz NUXDDZSNCCVIRM-CQSZACIVSA-N 1 1 342.530 2.807 10 70 EFIEMO Cc1ccc(C(=O)CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000159553745 225238248 /nfs/dbraw/zinc/23/82/48/225238248.db2.gz CPGPUKWHPHWKCJ-FQEVSTJZSA-N 1 1 343.515 2.670 10 70 EFIEMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCC1=CCCC1 ZINC000160167700 225353465 /nfs/dbraw/zinc/35/34/65/225353465.db2.gz PRGCMYUZGXCNAZ-LJQANCHMSA-N 1 1 328.456 2.894 10 70 EFIEMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCC1=CCCC1 ZINC000160167700 225353468 /nfs/dbraw/zinc/35/34/68/225353468.db2.gz PRGCMYUZGXCNAZ-LJQANCHMSA-N 1 1 328.456 2.894 10 70 EFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000160377316 544805137 /nfs/dbraw/zinc/80/51/37/544805137.db2.gz DSUBSCBZLPOPBF-QGZVFWFLSA-N 1 1 344.434 2.862 10 70 EFIEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC1(c2ccccc2)CCC1 ZINC000161009165 544809547 /nfs/dbraw/zinc/80/95/47/544809547.db2.gz YELSZWBSDCVRRV-WIYYLYMNSA-N 1 1 342.483 2.809 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000161307329 544812894 /nfs/dbraw/zinc/81/28/94/544812894.db2.gz SSVCGIDXNLMLFR-HNNXBMFYSA-N 1 1 338.415 2.728 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000161307329 544812899 /nfs/dbraw/zinc/81/28/99/544812899.db2.gz SSVCGIDXNLMLFR-HNNXBMFYSA-N 1 1 338.415 2.728 10 70 EFIEMO C[N@@H+](CCCCS(C)(=O)=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000161368811 544813891 /nfs/dbraw/zinc/81/38/91/544813891.db2.gz YAUFRXMHDXXILL-UHFFFAOYSA-N 1 1 339.379 2.842 10 70 EFIEMO C[C@H](c1cccc(F)c1)N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000159468804 544796316 /nfs/dbraw/zinc/79/63/16/544796316.db2.gz QDWAEEQVXGFBRS-VQIMIIECSA-N 1 1 336.451 2.700 10 70 EFIEMO CCC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[NH+](C)C ZINC000161254373 310707479 /nfs/dbraw/zinc/70/74/79/310707479.db2.gz YZDICFKPPAVONA-RBUKOAKNSA-N 1 1 347.503 2.679 10 70 EFIEMO CCC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[NH+](C)C ZINC000161254248 310707570 /nfs/dbraw/zinc/70/75/70/310707570.db2.gz YZDICFKPPAVONA-MOPGFXCFSA-N 1 1 347.503 2.679 10 70 EFIEMO CCC[N@H+](Cc1cc(C)c(OC)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161087556 473205284 /nfs/dbraw/zinc/20/52/84/473205284.db2.gz JAGOCBWVTPWAKE-INIZCTEOSA-N 1 1 325.474 2.711 10 70 EFIEMO CCC[N@@H+](Cc1cc(C)c(OC)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161087556 473205290 /nfs/dbraw/zinc/20/52/90/473205290.db2.gz JAGOCBWVTPWAKE-INIZCTEOSA-N 1 1 325.474 2.711 10 70 EFIEMO CC[C@](C)(O)C[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000161136450 473211486 /nfs/dbraw/zinc/21/14/86/473211486.db2.gz BWZFWELWZFCGAG-WFASDCNBSA-N 1 1 335.366 2.538 10 70 EFIEMO CN(CC[N@H+]1CCC[C@H](Cc2nccn2C)C1)Cc1ccc(F)cc1 ZINC000161201355 473217250 /nfs/dbraw/zinc/21/72/50/473217250.db2.gz KQKBFRTXXPOIRQ-GOSISDBHSA-N 1 1 344.478 2.946 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000161292290 473224994 /nfs/dbraw/zinc/22/49/94/473224994.db2.gz NITBJGWHSUYMMV-KBPBESRZSA-N 1 1 345.422 2.644 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000161294924 473224711 /nfs/dbraw/zinc/22/47/11/473224711.db2.gz QCASJJQPNZHRNP-HOTGVXAUSA-N 1 1 335.496 2.511 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000161292290 473224989 /nfs/dbraw/zinc/22/49/89/473224989.db2.gz NITBJGWHSUYMMV-KBPBESRZSA-N 1 1 345.422 2.644 10 70 EFIEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(N(C)C)cc1F ZINC000161364493 473230487 /nfs/dbraw/zinc/23/04/87/473230487.db2.gz CYFONFUETRPZRB-OAHLLOKOSA-N 1 1 330.407 2.701 10 70 EFIEMO CCCC[C@@H](COC)[NH2+]Cc1ccc(N2CCN(CC)CC2)nc1 ZINC000159511527 473034719 /nfs/dbraw/zinc/03/47/19/473034719.db2.gz DWQSFFALBUHFEB-SFHVURJKSA-N 1 1 334.508 2.518 10 70 EFIEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(-c2ccncc2)cc1F ZINC000159526215 473036027 /nfs/dbraw/zinc/03/60/27/473036027.db2.gz LCIRXDLTTKEBGA-SUMWQHHRSA-N 1 1 327.403 2.974 10 70 EFIEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000159540339 473037232 /nfs/dbraw/zinc/03/72/32/473037232.db2.gz FMFPXKBKBBNPPG-TZMCWYRMSA-N 1 1 332.835 2.612 10 70 EFIEMO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3ccc(C)o3)cn2)CC1 ZINC000159536948 473037529 /nfs/dbraw/zinc/03/75/29/473037529.db2.gz KLBVZXGGCWZNOK-MRXNPFEDSA-N 1 1 328.460 2.976 10 70 EFIEMO Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159679257 473050931 /nfs/dbraw/zinc/05/09/31/473050931.db2.gz WTECQMYMMYFZSJ-AAEUAGOBSA-N 1 1 325.250 2.843 10 70 EFIEMO C[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000159716397 473053585 /nfs/dbraw/zinc/05/35/85/473053585.db2.gz SOAILRSQKKLUEP-KBPBESRZSA-N 1 1 337.851 2.597 10 70 EFIEMO CC(C)Cn1ncc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1C1CC1 ZINC000159738376 473056012 /nfs/dbraw/zinc/05/60/12/473056012.db2.gz YERCJRCMMCPHOE-PBHICJAKSA-N 1 1 332.492 2.875 10 70 EFIEMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000159850465 473065632 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ZINC000159977025 206273811 /nfs/dbraw/zinc/27/38/11/206273811.db2.gz ABBRWFFQYRLRSE-WBVHZDCISA-N 1 1 333.501 2.798 10 70 EFIEMO CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000160123089 206281055 /nfs/dbraw/zinc/28/10/55/206281055.db2.gz OAWZCBZJFXHSCI-GFCCVEGCSA-N 1 1 343.240 2.589 10 70 EFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000160545816 206303493 /nfs/dbraw/zinc/30/34/93/206303493.db2.gz FFOXLSSIAHEXHK-GOSISDBHSA-N 1 1 343.471 2.885 10 70 EFIEMO CC(C)CC(=O)NCCC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000160750256 206311594 /nfs/dbraw/zinc/31/15/94/206311594.db2.gz FMVJHBKOJIZQEH-UHFFFAOYSA-N 1 1 347.503 2.695 10 70 EFIEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCc1cccc(Cl)c1 ZINC000161052420 206325520 /nfs/dbraw/zinc/32/55/20/206325520.db2.gz WFHJCTZSEXHDTN-QAPCUYQASA-N 1 1 336.863 2.583 10 70 EFIEMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161173448 206332176 /nfs/dbraw/zinc/33/21/76/206332176.db2.gz PWZTXIQADOSDRE-SNUQEOBHSA-N 1 1 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325.334 2.710 10 70 EFIEMO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@@H+](CCn2cccn2)C1 ZINC000161111709 473208000 /nfs/dbraw/zinc/20/80/00/473208000.db2.gz WZQDUYUFPUAMQF-HUUCEWRRSA-N 1 1 325.334 2.710 10 70 EFIEMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OCCO2)c1nccs1 ZINC000161155904 473213208 /nfs/dbraw/zinc/21/32/08/473213208.db2.gz PKHRXFPRTPGSLH-DGCLKSJQSA-N 1 1 347.440 2.982 10 70 EFIEMO Cc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1Br ZINC000159549829 473038852 /nfs/dbraw/zinc/03/88/52/473038852.db2.gz YORZAAKZWVOXSX-WCQYABFASA-N 1 1 325.250 2.843 10 70 EFIEMO Cc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Br ZINC000159597931 473043087 /nfs/dbraw/zinc/04/30/87/473043087.db2.gz MMUHWQYFNRCNQW-AAEUAGOBSA-N 1 1 325.250 2.843 10 70 EFIEMO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc(Br)ccc2[nH]1 ZINC000159628091 473045748 /nfs/dbraw/zinc/04/57/48/473045748.db2.gz LOJVLRIABTYBHF-FOSCPWQOSA-N 1 1 336.233 2.813 10 70 EFIEMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc(Br)ccc2[nH]1 ZINC000159628091 473045755 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QTOYWAHDEKZAQM-SJLPKXTDSA-N 1 1 345.487 2.717 10 70 EFIEMO CCC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(C)o2)CC[N@H+]1CCOC ZINC000159900349 473070552 /nfs/dbraw/zinc/07/05/52/473070552.db2.gz OVAUCSYSKVQYFL-HOTGVXAUSA-N 1 1 337.464 2.791 10 70 EFIEMO COC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000159978146 473077675 /nfs/dbraw/zinc/07/76/75/473077675.db2.gz KQOJQGPCCQTVOG-MRXNPFEDSA-N 1 1 333.432 2.715 10 70 EFIEMO C[C@H](N1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1)C(F)(F)F ZINC000160022368 473081038 /nfs/dbraw/zinc/08/10/38/473081038.db2.gz CQBPYOIPZQJWPP-AWEZNQCLSA-N 1 1 347.400 2.826 10 70 EFIEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160121584 473089431 /nfs/dbraw/zinc/08/94/31/473089431.db2.gz KYSJLADLUMJEPL-SFHVURJKSA-N 1 1 335.536 2.831 10 70 EFIEMO C[N@@H+](CCN1CCC(N2CCCCC2=O)CC1)Cc1ccc(F)cc1 ZINC000160274432 473103985 /nfs/dbraw/zinc/10/39/85/473103985.db2.gz DZCBYMNMOCPJGW-UHFFFAOYSA-N 1 1 347.478 2.734 10 70 EFIEMO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000160316086 473106749 /nfs/dbraw/zinc/10/67/49/473106749.db2.gz UJPIHDUCISATCO-LJQANCHMSA-N 1 1 339.439 2.852 10 70 EFIEMO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000160316086 473106758 /nfs/dbraw/zinc/10/67/58/473106758.db2.gz UJPIHDUCISATCO-LJQANCHMSA-N 1 1 339.439 2.852 10 70 EFIEMO CCOC(=O)C[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C ZINC000160324166 473108239 /nfs/dbraw/zinc/10/82/39/473108239.db2.gz WXJQVCLBBXZEJF-UHFFFAOYSA-N 1 1 340.508 2.935 10 70 EFIEMO CC[NH+](CC)CCSCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160370664 473114262 /nfs/dbraw/zinc/11/42/62/473114262.db2.gz UDAAOAYHLITJLM-UHFFFAOYSA-N 1 1 334.489 2.563 10 70 EFIEMO C[N@@H+](CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CCCCC1 ZINC000160371877 473114312 /nfs/dbraw/zinc/11/43/12/473114312.db2.gz NITPSDOYVYHYIB-KSZLIROESA-N 1 1 349.519 2.898 10 70 EFIEMO COCCCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160463376 473127907 /nfs/dbraw/zinc/12/79/07/473127907.db2.gz KGCXYGLSDWDUNU-GOSISDBHSA-N 1 1 348.487 2.952 10 70 EFIEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CSCc1cscn1 ZINC000160490275 473132972 /nfs/dbraw/zinc/13/29/72/473132972.db2.gz FYPOQGDVYMGYQM-CQSZACIVSA-N 1 1 327.519 2.613 10 70 EFIEMO COc1cccc(CO[C@@H](C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160502306 473134206 /nfs/dbraw/zinc/13/42/06/473134206.db2.gz JCNJOAJJZRWTKW-FUHWJXTLSA-N 1 1 348.487 2.837 10 70 EFIEMO Cc1nc(CCNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)sc1C ZINC000160523660 473136164 /nfs/dbraw/zinc/13/61/64/473136164.db2.gz JIDVUFUJHSCBAS-OAHLLOKOSA-N 1 1 338.521 2.722 10 70 EFIEMO CCCNC(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160519630 473137164 /nfs/dbraw/zinc/13/71/64/473137164.db2.gz PEUZGCAWOOHJDV-GOSISDBHSA-N 1 1 345.487 2.677 10 70 EFIEMO CC(C)c1nn(C)c(Cl)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000160577047 473145069 /nfs/dbraw/zinc/14/50/69/473145069.db2.gz OPFUQRQFIBOOIK-GFCCVEGCSA-N 1 1 326.872 2.801 10 70 EFIEMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160581589 473146172 /nfs/dbraw/zinc/14/61/72/473146172.db2.gz ICLJHYADTIDOLM-LBPRGKRZSA-N 1 1 345.365 2.627 10 70 EFIEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160581469 473146424 /nfs/dbraw/zinc/14/64/24/473146424.db2.gz ICLJHYADTIDOLM-GFCCVEGCSA-N 1 1 345.365 2.627 10 70 EFIEMO Brc1ccc2[nH]c(CN3CC[N@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000160592349 473148246 /nfs/dbraw/zinc/14/82/46/473148246.db2.gz NQQJWJIHKUJTMA-CYBMUJFWSA-N 1 1 349.276 2.996 10 70 EFIEMO Brc1ccc2nc(CN3CC[N@@H+]4CCCC[C@@H]4C3)[nH]c2c1 ZINC000160592349 473148253 /nfs/dbraw/zinc/14/82/53/473148253.db2.gz NQQJWJIHKUJTMA-CYBMUJFWSA-N 1 1 349.276 2.996 10 70 EFIEMO C[C@@]1(CNc2cn[nH]c(=O)c2Cl)CCC[N@H+]1Cc1ccccc1 ZINC000160805411 473177798 /nfs/dbraw/zinc/17/77/98/473177798.db2.gz QWHWRMCZASKFSU-KRWDZBQOSA-N 1 1 332.835 2.890 10 70 EFIEMO COC(=O)c1csc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000160961765 473194456 /nfs/dbraw/zinc/19/44/56/473194456.db2.gz RBWIADPLDFFZFW-YHWZYXNKSA-N 1 1 337.445 2.672 10 70 EFIEMO COC(=O)c1csc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000160969212 473195357 /nfs/dbraw/zinc/19/53/57/473195357.db2.gz UBBBXNAPUHMYGL-CYBMUJFWSA-N 1 1 348.428 2.736 10 70 EFIEMO C[C@@H](Cc1ccccc1)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159816372 524910226 /nfs/dbraw/zinc/91/02/26/524910226.db2.gz JODILBXCPVNEAD-KRWDZBQOSA-N 1 1 332.488 2.682 10 70 EFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cn(C)nc2-c2cccs2)C1 ZINC000159737435 529088744 /nfs/dbraw/zinc/08/87/44/529088744.db2.gz RSQQEEFTGNJDCP-OCCSQVGLSA-N 1 1 332.473 2.607 10 70 EFIEMO CC[C@H](COC)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000159612959 529394724 /nfs/dbraw/zinc/39/47/24/529394724.db2.gz GPXLGQOMJMVSBA-MVCQKVDPSA-N 1 1 345.487 2.906 10 70 EFIEMO COc1cccc(Cl)c1CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000160779696 533555741 /nfs/dbraw/zinc/55/57/41/533555741.db2.gz RRZYLBULHXOMJR-CJNGLKHVSA-N 1 1 336.863 2.834 10 70 EFIEMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCCS(C)(=O)=O)c1 ZINC000161246301 544811279 /nfs/dbraw/zinc/81/12/79/544811279.db2.gz PZLATTBXYVSAOR-MRXNPFEDSA-N 1 1 341.473 2.666 10 70 EFIEMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCCS(C)(=O)=O)c1 ZINC000161246301 544811281 /nfs/dbraw/zinc/81/12/81/544811281.db2.gz PZLATTBXYVSAOR-MRXNPFEDSA-N 1 1 341.473 2.666 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000161307224 544812323 /nfs/dbraw/zinc/81/23/23/544812323.db2.gz SSVCGIDXNLMLFR-OAHLLOKOSA-N 1 1 338.415 2.728 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000161307224 544812326 /nfs/dbraw/zinc/81/23/26/544812326.db2.gz SSVCGIDXNLMLFR-OAHLLOKOSA-N 1 1 338.415 2.728 10 70 EFIEMO C[C@@H]1C[C@@H](NC(=O)N2CCCSCC2)C[N@H+]1Cc1ccccc1 ZINC000159977340 274389056 /nfs/dbraw/zinc/38/90/56/274389056.db2.gz ABBRWFFQYRLRSE-NVXWUHKLSA-N 1 1 333.501 2.798 10 70 EFIEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160735980 288302560 /nfs/dbraw/zinc/30/25/60/288302560.db2.gz FKSYCUVXVNEWGR-OWYHZJEWSA-N 1 1 343.471 2.785 10 70 EFIEMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1)c1nccs1 ZINC000161139087 310706340 /nfs/dbraw/zinc/70/63/40/310706340.db2.gz NPGLLHMSAOPVGZ-SMDDNHRTSA-N 1 1 346.456 2.571 10 70 EFIEMO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCc1ccccc1)c1nccs1 ZINC000161093619 473206265 /nfs/dbraw/zinc/20/62/65/473206265.db2.gz JVQLJIUHXBUAQB-JSGCOSHPSA-N 1 1 346.456 2.598 10 70 EFIEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC2(CCOC)CC2)C1 ZINC000161023775 473200127 /nfs/dbraw/zinc/20/01/27/473200127.db2.gz OJNSSVBDUPGHCE-OAHLLOKOSA-N 1 1 334.464 2.609 10 70 EFIEMO CC[C@H]([NH2+][C@H](C)C(=O)NCc1cccc(OC)c1)c1nccs1 ZINC000161105385 473207653 /nfs/dbraw/zinc/20/76/53/473207653.db2.gz NTHMCPBORLYODQ-DOMZBBRYSA-N 1 1 333.457 2.897 10 70 EFIEMO CC(C)NC(=O)CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161232102 473219794 /nfs/dbraw/zinc/21/97/94/473219794.db2.gz STKGGNBDRLLIDY-UHFFFAOYSA-N 1 1 328.460 2.856 10 70 EFIEMO CSc1nc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c2ccccn21 ZINC000161250657 473221165 /nfs/dbraw/zinc/22/11/65/473221165.db2.gz HMTGKRCAOBTPAA-STQMWFEESA-N 1 1 332.473 2.515 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(CC(C)C)CC(C)C)C1 ZINC000161318193 473225213 /nfs/dbraw/zinc/22/52/13/473225213.db2.gz NAJLCBQQMKMOBH-QGZVFWFLSA-N 1 1 349.523 2.618 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)C1 ZINC000161318193 473225217 /nfs/dbraw/zinc/22/52/17/473225217.db2.gz NAJLCBQQMKMOBH-QGZVFWFLSA-N 1 1 349.523 2.618 10 70 EFIEMO CCc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nncn3CC)C2)cc1 ZINC000161315193 473225973 /nfs/dbraw/zinc/22/59/73/473225973.db2.gz VVWQZYMXFMKDNK-INIZCTEOSA-N 1 1 341.459 2.679 10 70 EFIEMO CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nncn3CC)C2)cc1 ZINC000161315193 473225975 /nfs/dbraw/zinc/22/59/75/473225975.db2.gz VVWQZYMXFMKDNK-INIZCTEOSA-N 1 1 341.459 2.679 10 70 EFIEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)C1 ZINC000161354794 473228988 /nfs/dbraw/zinc/22/89/88/473228988.db2.gz ADGXYWZXYWWUMG-MNEFBYGVSA-N 1 1 347.478 2.635 10 70 EFIEMO CC[N@@H+](C)[C@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000161356757 473229745 /nfs/dbraw/zinc/22/97/45/473229745.db2.gz FGZMWUGBQDHUHT-OALUTQOASA-N 1 1 339.439 2.754 10 70 EFIEMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159465376 473029722 /nfs/dbraw/zinc/02/97/22/473029722.db2.gz OLVUCMIJSPSCDF-UXPWSPDFSA-N 1 1 344.499 2.907 10 70 EFIEMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000159494821 473032174 /nfs/dbraw/zinc/03/21/74/473032174.db2.gz XXBBQBOHYPKNAY-OAHLLOKOSA-N 1 1 341.430 2.803 10 70 EFIEMO CCOc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc(Cl)c1OC ZINC000159510073 473034020 /nfs/dbraw/zinc/03/40/20/473034020.db2.gz BBCWNUIPPQDIMZ-AAEUAGOBSA-N 1 1 340.851 2.833 10 70 EFIEMO COc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OCC(C)C ZINC000159509784 473034647 /nfs/dbraw/zinc/03/46/47/473034647.db2.gz WWBIGVSSGMXPHQ-GOEBONIOSA-N 1 1 334.460 2.816 10 70 EFIEMO CC(C)[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@H](C)O ZINC000159547508 473036750 /nfs/dbraw/zinc/03/67/50/473036750.db2.gz HPQBYZHSXNHRQJ-JTQLQIEISA-N 1 1 326.238 2.917 10 70 EFIEMO C[C@@H](Cc1ccccc1F)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000159543351 473037256 /nfs/dbraw/zinc/03/72/56/473037256.db2.gz WMIIUXOHBRZUBV-JKSUJKDBSA-N 1 1 348.462 2.716 10 70 EFIEMO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3ccc(C)o3)cn2)CC1 ZINC000159536812 473037486 /nfs/dbraw/zinc/03/74/86/473037486.db2.gz KLBVZXGGCWZNOK-INIZCTEOSA-N 1 1 328.460 2.976 10 70 EFIEMO COc1sc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Br ZINC000159554060 473038524 /nfs/dbraw/zinc/03/85/24/473038524.db2.gz GZAWAIYSMNERPW-DTWKUNHWSA-N 1 1 347.278 2.605 10 70 EFIEMO COc1sc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Br ZINC000159554060 473038529 /nfs/dbraw/zinc/03/85/29/473038529.db2.gz GZAWAIYSMNERPW-DTWKUNHWSA-N 1 1 347.278 2.605 10 70 EFIEMO CC(C)N(CCc1nccs1)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000159659109 473047837 /nfs/dbraw/zinc/04/78/37/473047837.db2.gz FEKIPGKQCPONPX-KGLIPLIRSA-N 1 1 336.505 2.731 10 70 EFIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCCc1ccc(F)cc1 ZINC000159821679 473063199 /nfs/dbraw/zinc/06/31/99/473063199.db2.gz IRCQIQQLQAQNGK-UHFFFAOYSA-N 1 1 349.475 2.894 10 70 EFIEMO Cc1csc2nc(C[N@H+](CCc3nccs3)C(C)C)cc(=O)n12 ZINC000159853545 473066254 /nfs/dbraw/zinc/06/62/54/473066254.db2.gz BEWXNBACLDFJHP-UHFFFAOYSA-N 1 1 348.497 2.974 10 70 EFIEMO CN(C)c1nc(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)ns1 ZINC000159874988 473069029 /nfs/dbraw/zinc/06/90/29/473069029.db2.gz JDXFLCBRUKIPKG-UHFFFAOYSA-N 1 1 345.516 2.701 10 70 EFIEMO COCC[N@@H+]1CCN(Cc2ncc(-c3ccccc3)s2)C[C@@H]1C ZINC000159921309 473072748 /nfs/dbraw/zinc/07/27/48/473072748.db2.gz ZYMSXEMXHFUMIS-HNNXBMFYSA-N 1 1 331.485 2.963 10 70 EFIEMO COCC[N@H+]1CCN(Cc2ncc(-c3ccccc3)s2)C[C@@H]1C ZINC000159921309 473072754 /nfs/dbraw/zinc/07/27/54/473072754.db2.gz ZYMSXEMXHFUMIS-HNNXBMFYSA-N 1 1 331.485 2.963 10 70 EFIEMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCCOc1ccccc1 ZINC000159922456 473073379 /nfs/dbraw/zinc/07/33/79/473073379.db2.gz USUSMFGRSZAWQO-UHFFFAOYSA-N 1 1 347.484 2.591 10 70 EFIEMO Cc1ccc(CCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000160087696 473087484 /nfs/dbraw/zinc/08/74/84/473087484.db2.gz RWMBRVPYZSAAJY-UHFFFAOYSA-N 1 1 332.488 2.744 10 70 EFIEMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000160309131 473107041 /nfs/dbraw/zinc/10/70/41/473107041.db2.gz LSSUUGSKAYNIOC-INIZCTEOSA-N 1 1 332.469 2.618 10 70 EFIEMO Clc1ccc2c(c1)ncnc2N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160413591 473119515 /nfs/dbraw/zinc/11/95/15/473119515.db2.gz ORTARXUMNJKNRR-CQSZACIVSA-N 1 1 332.835 2.584 10 70 EFIEMO Cc1noc(C)c1CSCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160539827 473139275 /nfs/dbraw/zinc/13/92/75/473139275.db2.gz ABGRJBAGQKWUIT-OAHLLOKOSA-N 1 1 339.505 2.761 10 70 EFIEMO Cc1cccc2[nH]c(CNC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)nc21 ZINC000160561586 473142118 /nfs/dbraw/zinc/14/21/18/473142118.db2.gz LZJNEWAVSLIZOM-HNNXBMFYSA-N 1 1 348.450 2.934 10 70 EFIEMO Cc1cccc2[nH]c(CNC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)nc21 ZINC000160561586 473142121 /nfs/dbraw/zinc/14/21/21/473142121.db2.gz LZJNEWAVSLIZOM-HNNXBMFYSA-N 1 1 348.450 2.934 10 70 EFIEMO Cc1cccc2[nH]c(CNC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)nc21 ZINC000160561449 473142171 /nfs/dbraw/zinc/14/21/71/473142171.db2.gz LZJNEWAVSLIZOM-OAHLLOKOSA-N 1 1 348.450 2.934 10 70 EFIEMO Cc1cccc2[nH]c(CNC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)nc21 ZINC000160561449 473142177 /nfs/dbraw/zinc/14/21/77/473142177.db2.gz LZJNEWAVSLIZOM-OAHLLOKOSA-N 1 1 348.450 2.934 10 70 EFIEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000160614276 473152505 /nfs/dbraw/zinc/15/25/05/473152505.db2.gz LBGCQMSSEQAKSX-WIYYLYMNSA-N 1 1 342.483 2.805 10 70 EFIEMO C[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1cn(-c2ccccc2)nn1 ZINC000160775930 473173215 /nfs/dbraw/zinc/17/32/15/473173215.db2.gz XRDXIJJTGRSIOW-IZHWHUGBSA-N 1 1 340.452 2.726 10 70 EFIEMO Cn1ncc(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c(Cl)c1=O ZINC000160805657 473177603 /nfs/dbraw/zinc/17/76/03/473177603.db2.gz RXPGPYNLASZIQF-SFHVURJKSA-N 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EFIEMO CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC000159781619 526791427 /nfs/dbraw/zinc/79/14/27/526791427.db2.gz DPQQLXIIYBTOOG-PBHICJAKSA-N 1 1 349.862 2.681 10 70 EFIEMO CC[N@@H+](CCc1nccs1)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000159387674 528607241 /nfs/dbraw/zinc/60/72/41/528607241.db2.gz KIVOIMGRJQWESI-MRXNPFEDSA-N 1 1 348.468 2.650 10 70 EFIEMO CC(C)[C@H](CNC(=O)CC/C=C/c1ccccc1)N1CC[NH+](C)CC1 ZINC000160047697 528998481 /nfs/dbraw/zinc/99/84/81/528998481.db2.gz AAZJVNBEQUZVSL-OEMHODTASA-N 1 1 343.515 2.868 10 70 EFIEMO CC[N@H+]1CCCN(C(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000159569060 529029003 /nfs/dbraw/zinc/02/90/03/529029003.db2.gz TUBCOXFYUGJEOS-UHFFFAOYSA-N 1 1 345.365 2.822 10 70 EFIEMO CCN1CC[NH+](CCC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159538337 529142359 /nfs/dbraw/zinc/14/23/59/529142359.db2.gz YRAUKBWLAUZOLV-APWZRJJASA-N 1 1 329.488 2.769 10 70 EFIEMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CC/C=C/c2ccccc2)CC1 ZINC000160111984 529147841 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Cc1ccc(C[N@@H+](C)Cc2c(C)nn(CC(=O)OC(C)C)c2C)o1 ZINC000160859993 206316901 /nfs/dbraw/zinc/31/69/01/206316901.db2.gz VXWOEVAOXJFGKF-UHFFFAOYSA-N 1 1 333.432 2.985 10 70 EFIEMO Cc1ccc(C[N@H+](C)Cc2c(C)nn(CC(=O)OC(C)C)c2C)o1 ZINC000160859993 206316903 /nfs/dbraw/zinc/31/69/03/206316903.db2.gz VXWOEVAOXJFGKF-UHFFFAOYSA-N 1 1 333.432 2.985 10 70 EFIEMO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161157903 206331823 /nfs/dbraw/zinc/33/18/23/206331823.db2.gz ZTWCTFUQJUJMQG-KBXCAEBGSA-N 1 1 328.460 2.848 10 70 EFIEMO Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)[nH]n1 ZINC000161148887 206331881 /nfs/dbraw/zinc/33/18/81/206331881.db2.gz DEYSRZKNXSVVJB-UGSOOPFHSA-N 1 1 344.434 2.569 10 70 EFIEMO Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)[nH]n1 ZINC000161148887 206331884 /nfs/dbraw/zinc/33/18/84/206331884.db2.gz DEYSRZKNXSVVJB-UGSOOPFHSA-N 1 1 344.434 2.569 10 70 EFIEMO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161139085 206329552 /nfs/dbraw/zinc/32/95/52/206329552.db2.gz FZXPBDGXAGSAQO-GPMSIDNRSA-N 1 1 326.444 2.955 10 70 EFIEMO CC[NH+](CC)[C@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161157799 206330922 /nfs/dbraw/zinc/33/09/22/206330922.db2.gz ZTWCTFUQJUJMQG-KSSFIOAISA-N 1 1 328.460 2.848 10 70 EFIEMO Cc1ccc(C2(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)CCOCC2)cc1 ZINC000161286215 206339406 /nfs/dbraw/zinc/33/94/06/206339406.db2.gz DOUVIDRZHIRHKH-HKUYNNGSSA-N 1 1 344.499 2.888 10 70 EFIEMO CCN(C(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1)c1ccccc1 ZINC000161299536 544810800 /nfs/dbraw/zinc/81/08/00/544810800.db2.gz NQPYKBQSTMVEIF-INIZCTEOSA-N 1 1 341.459 2.531 10 70 EFIEMO CCN(C(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1)c1ccccc1 ZINC000161299536 544810804 /nfs/dbraw/zinc/81/08/04/544810804.db2.gz NQPYKBQSTMVEIF-INIZCTEOSA-N 1 1 341.459 2.531 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000161305318 544812642 /nfs/dbraw/zinc/81/26/42/544812642.db2.gz BPRJVLLEYPJNLJ-AQFXKWCLSA-N 1 1 347.507 2.515 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000161305318 544812643 /nfs/dbraw/zinc/81/26/43/544812643.db2.gz BPRJVLLEYPJNLJ-AQFXKWCLSA-N 1 1 347.507 2.515 10 70 EFIEMO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000159468432 544796841 /nfs/dbraw/zinc/79/68/41/544796841.db2.gz QDWAEEQVXGFBRS-LPHOPBHVSA-N 1 1 336.451 2.700 10 70 EFIEMO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1OC)c1nccs1 ZINC000161128835 473210220 /nfs/dbraw/zinc/21/02/20/473210220.db2.gz GFKGPKLCRZDHOI-OCCSQVGLSA-N 1 1 333.457 2.897 10 70 EFIEMO CCn1cnnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000161266249 473221728 /nfs/dbraw/zinc/22/17/28/473221728.db2.gz NAYDRYFIGKATHL-AWEZNQCLSA-N 1 1 345.422 2.645 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000161266104 473222025 /nfs/dbraw/zinc/22/20/25/473222025.db2.gz NAYDRYFIGKATHL-CQSZACIVSA-N 1 1 345.422 2.645 10 70 EFIEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000161295337 473225178 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C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C[C@H]1CCCCO1 ZINC000159537954 473037382 /nfs/dbraw/zinc/03/73/82/473037382.db2.gz VIRQGGFEQFPCTA-QGZVFWFLSA-N 1 1 348.491 2.903 10 70 EFIEMO C[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C[C@H]1CCCCO1 ZINC000159537954 473037388 /nfs/dbraw/zinc/03/73/88/473037388.db2.gz VIRQGGFEQFPCTA-QGZVFWFLSA-N 1 1 348.491 2.903 10 70 EFIEMO CCOC(=O)CCc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000159651839 473048395 /nfs/dbraw/zinc/04/83/95/473048395.db2.gz RNRDLFWBWMUIKE-INIZCTEOSA-N 1 1 347.459 2.646 10 70 EFIEMO C[NH+](C)C[C@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159669982 473049967 /nfs/dbraw/zinc/04/99/67/473049967.db2.gz IHZVJEGHGMBDEG-LLVKDONJSA-N 1 1 337.265 2.709 10 70 EFIEMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(=O)n2ccsc2n1 ZINC000159849548 473065676 /nfs/dbraw/zinc/06/56/76/473065676.db2.gz CSPHPXHHHLNYJL-UHFFFAOYSA-N 1 1 334.470 2.666 10 70 EFIEMO C[C@H]1C[C@@H](N(C)C(=O)NCC2(C)COC2)CC[N@H+]1Cc1ccccc1 ZINC000159854565 473066462 /nfs/dbraw/zinc/06/64/62/473066462.db2.gz 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